DeepNLP NIPS2024 Accepted Paper List AI Robotic and STEM Top Conference & Journal Papers
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Learning to grok: Emergence of in-context learning and skill composition in modular arithmetic tasks
Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions $z = a x + b y \text{ mod } p$ labeled by the vector $(a, b) \in \mathbb{Z}_p^2$. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is *transient*, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing highly structured representations in both attention heads and MLPs; and discuss the learned algorithms. Notably, we find an algorithmic shift in deeper models, as we go from few to many in-context examples.
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Many animals learn cognitive maps of their environment - a simultaneous representation of context, experience, and position. Place cells in the hippocampus, named for their explicit encoding of position, are believed to be a neural substrate of these maps, with place cell "remapping" explaining how this system can represent different contexts. Briefly, place cells alter their firing properties, or "remap", in response to changes in experiential or sensory cues. Substantial sensory changes, produced, e.g., by moving between environments, cause large subpopulations of place cells to change their tuning entirely. While many studies have looked at the physiological basis of remapping, we lack explicit calculations of how the contextual capacity of the place cell system changes as a function of place field firing properties. Here, we propose a geometric approach to understanding population level activity of place cells. Using known firing field statistics, we investigate how changes to place cell firing properties affect the distances between representations of different environments within firing rate space. Using this approach, we find that the number of contexts storable by the hippocampus grows exponentially with the number of place cells, and calculate this exponent for environments of different sizes. We identify a fundamental trade-off between high resolution encoding of position and the number of storable contexts. This trade-off is tuned by place cell width, which might explain the change in firing field scale along the dorsal-ventral axis of the hippocampus. We demonstrate that clustering of place cells near likely points of confusion, such as boundaries, increases the contextual capacity of the place system within our framework and conclude by discussing how our geometric approach could be extended to include other cell types and abstract spaces.
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We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes GPT-style AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.73, inception score (IS) from 80.4 to 350.2, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.
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Recent advancements in large vision language models have demonstrated remarkable proficiency across a wide range of tasks. Yet, these models still struggle with understanding the nuances of human humor through juxtaposition, particularly when it involves nonlinear narratives that underpin many jokes and humor cues. This paper investigates this challenge by focusing on comics with contradictory narratives, where each comic consists of two panels that create a humorous contradiction. We introduce the YesBut benchmark, which comprises tasks of varying difficulty aimed at assessing AI's capabilities in recognizing and interpreting these comics, ranging from literal content comprehension to deep narrative reasoning. Through extensive experimentation and analysis of recent commercial or open-sourced large vision language models, we assess their capability to comprehend the complex interplay of the narrative humor inherent in these comics. Our results show that even the state-of-the-art models still struggle with this task. Our findings offer insights into the current limitations and potential improvements for AI in understanding human creative expressions.
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We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach leverages human judgment to distinguish inputs which are *algorithmically indistinguishable*, or "look the same" to predictive algorithms. We argue that this framing clarifies the problem of human-AI collaboration in prediction tasks, as experts often form judgments by drawing on information which is not encoded in an algorithm's training data. Algorithmic indistinguishability yields a natural test for assessing whether experts incorporate this kind of "side information", and further provides a simple but principled method for selectively incorporating human feedback into algorithmic predictions. We show that this method provably improves the performance of any feasible algorithmic predictor and precisely quantify this improvement. We find empirically that although algorithms often outperform their human counterparts *on average*, human judgment can improve algorithmic predictions on *specific* instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.
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Diffusion regulates numerous natural processes and the dynamics of many successful generative models. Existing models to learn the diffusion terms from observational data rely on complex bilevel optimization problems and model only the drift of the system. We propose a new simple model, JKOnet*, which bypasses the complexity of existing architectures while presenting significantly enhanced representational capabilities: JKOnet* recovers the potential, interaction, and internal energy components of the underlying diffusion process. JKOnet* minimizes a simple quadratic loss and outperforms other baselines in terms of sample efficiency, computational complexity, and accuracy. Additionally, JKOnet* provides a closed-form optimal solution for linearly parametrized functionals, and, when applied to predict the evolution of cellular processes from real-world data, it achieves state-of-the-art accuracy at a fraction of the computational cost of all existing methods. Our methodology is based on the interpretation of diffusion processes as energy-minimizing trajectories in the probability space via the so-called JKO scheme, which we study via its first-order optimality conditions.
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We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell$MPNN, that can count cycles up to length $r{+}2$. Most notably, we show that $r$-$\ell$WL can count homomorphisms of cactus graphs. This extends 1-WL, which can only count homomorphisms of trees and, in fact, is incomparable to $k$-WL for any fixed $k$. We empirically validate the expressive and counting power of $r$-$\ell$MPNN on several synthetic datasets and demonstrate the scalability and strong performance on various real-world datasets, particularly on sparse graphs.
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Chain-of-Thought (CoT) reasoning has emerged as a promising approach for enhancing the performance of large language models (LLMs) on complex reasoning tasks. Recently, a series of studies attempt to explain the mechanisms underlying CoT, aiming to deepen the understanding of its efficacy. Nevertheless, the existing research faces two major challenges: (1) a lack of quantitative metrics to assess CoT capabilities and (2) a dearth of guidance on optimizing CoT performance. Motivated by this, in this work, we introduce a novel reasoning boundary framework (RBF) to address these challenges. To solve the lack of quantification, we first define a reasoning boundary (RB) to quantify the upper-bound of CoT and establish a combination law for RB, enabling a practical quantitative approach applicable to various real-world CoT tasks. To address the lack of optimization, we propose three categories of RBs. We further optimize these categories with combination laws focused on RB promotion and reasoning path optimization for CoT improvement. Through extensive experiments on 27 models and 5 tasks, the study validates the existence and rationality of the proposed framework. Furthermore, it explains the effectiveness of 10 CoT strategies and guides optimization from two perspectives. We hope this work can provide a comprehensive understanding of the boundaries and optimization strategies for reasoning in LLMs. Our code and data are available at https://github.com/LightChen233/reasoning-boundary.
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Real-world applications of reinforcement learning often involve environments where agents operate on complex, high-dimensional observations, but the underlying (``latent'') dynamics are comparatively simple. However, beyond restrictive settings such as tabular latent dynamics, the fundamental statistical requirements and algorithmic principles for *reinforcement learning under latent dynamics* are poorly understood. This paper addresses the question of reinforcement learning under *general latent dynamics* from a statistical and algorithmic perspective. On the statistical side, our main negative result shows that *most* well-studied settings for reinforcement learning with function approximation become intractable when composed with rich observations; we complement this with a positive result, identifying *latent pushforward coverability* as a general condition that enables statistical tractability. Algorithmically, we develop provably efficient *observable-to-latent* reductions ---that is, reductions that transform an arbitrary algorithm for the latent MDP into an algorithm that can operate on rich observations--- in two settings: one where the agent has access to hindsight observations of the latent dynamics (Lee et al., 2023) and one where the agent can estimate *self-predictive* latent models (Schwarzer et al., 2020). Together, our results serve as a first step toward a unified statistical and algorithmic theory for reinforcement learning under latent dynamics.
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Two-stage recommender systems play a crucial role in efficiently identifying relevant items and personalizing recommendations from a vast array of options. This paper, based on an error decomposition framework, analyzes the generalization error for two-stage recommender systems with a tree structure, which consist of an efficient tree-based retriever and a more precise yet time-consuming ranker. We use the Rademacher complexity to establish the generalization upper bound for various tree-based retrievers using beam search, as well as for different ranker models under a shifted training distribution. Both theoretical insights and practical experiments on real-world datasets indicate that increasing the branches in tree-based retrievers and harmonizing distributions across stages can enhance the generalization performance of two-stage recommender systems.
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With the rapid development of large language models (LLMs) and ever-evolving practical requirements, finding an efficient and effective alignment method has never been more critical. However, the tension between the complexity of current alignment methods and the need for rapid iteration in deployment scenarios necessitates the development of a model-agnostic alignment approach that can operate under these constraints. In this paper, we introduce Aligner, a novel and simple alignment paradigm that learns the correctional residuals between preferred and dispreferred answers using a small model. Designed as a model-agnostic, plug-and-play module, Aligner can be directly applied to various open-source and API-based models with only one-off training, making it suitable for rapid iteration. Notably, Aligner can be applied to any powerful, large-scale upstream models. Moreover, it can even iteratively bootstrap the upstream models using corrected responses as synthetic human preference data, breaking through the model's performance ceiling. Our experiments demonstrate performance improvements by deploying the same Aligner model across 11 different LLMs, evaluated on the 3H dimensions (helpfulness, harmlessness, and honesty). Specifically, Aligner-7B has achieved an average improvement of 68.9\% in helpfulness and 23.8\% in harmlessness across the tested LLMs while also effectively reducing hallucination. In the Alpaca-Eval leaderboard, stacking Aligner-2B on GPT-4 Turbo improved its LC Win Rate from 55.0\% to 58.3\%, surpassing GPT-4 Omni's 57.5\% Win Rate (community report).
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Surveys have recently gained popularity as a tool to study large language models. By comparing models’ survey responses to those of different human reference populations, researchers aim to infer the demographics, political opinions, or values best represented by current language models. In this work, we critically examine language models' survey responses on the basis of the well-established American Community Survey by the U.S. Census Bureau. Evaluating 43 different language models using de-facto standard prompting methodologies, we establish two dominant patterns. First, models' responses are governed by ordering and labeling biases, for example, towards survey responses labeled with the letter “A”. Second, when adjusting for these systematic biases through randomized answer ordering, models across the board trend towards uniformly random survey responses, irrespective of model size or training data. As a result, models consistently appear to better represent subgroups whose aggregate statistics are closest to uniform for the survey under consideration, leading to potentially misguided conclusions about model alignment.
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Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to $\mathcal{O}(d^{k})$ scaling of the derivative tensor size and the $\mathcal{O}(2^{k-1}L)$ scaling in the computation graph, where $d$ is the dimension of the domain, $L$ is the number of ops in the forward computation graph, and $k$ is the derivative order. In previous works, the polynomial scaling in $d$ was addressed by amortizing the computation over the optimization process via randomization. Separately, the exponential scaling in $k$ for univariate functions ($d=1$) was addressed with high-order auto-differentiation (AD). In this work, we show how to efficiently perform arbitrary contraction of the derivative tensor of arbitrary order for multivariate functions, by properly constructing the input tangents to univariate high-order AD, which can be used to efficiently randomize any differential operator. When applied to Physics-Informed Neural Networks (PINNs), our method provides >1000$\times$ speed-up and >30$\times$ memory reduction over randomization with first-order AD, and we can now solve 1-million-dimensional PDEs in 8 minutes on a single NVIDIA A100 GPU. This work opens the possibility of using high-order differential operators in large-scale problems.
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We study causal effect estimation in a setting where the data are not i.i.d.$\ $(independent and identically distributed). We focus on exchangeable data satisfying an assumption of independent causal mechanisms. Traditional causal effect estimation frameworks, e.g., relying on structural causal models and do-calculus, are typically limited to i.i.d. data and do not extend to more general exchangeable generative processes, which naturally arise in multi-environment data. To address this gap, we develop a generalized framework for exchangeable data and introduce a truncated factorization formula that facilitates both the identification and estimation of causal effects in our setting. To illustrate potential applications, we introduce a causal Pólya urn model and demonstrate how intervention propagates effects in exchangeable data settings. Finally, we develop an algorithm that performs simultaneous causal discovery and effect estimation given multi-environment data.
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Self-evaluation using large language models (LLMs) has proven valuable not only in benchmarking but also methods like reward modeling, constitutional AI, and self-refinement. But new biases are introduced due to the same LLM acting as both the evaluator and the evaluatee. One such bias is self-preference, where an LLM evaluator scores its own outputs higher than others’ while human annotators consider them of equal quality. But do LLMs actually recognize their own outputs when they give those texts higher scores, or is it just a coincidence? In this paper, we investigate if self-recognition capability contributes to self-preference. We discover that, out of the box, LLMs such as GPT-4 and Llama 2 have non-trivial accuracy at distinguishing themselves from other LLMs and humans. By finetuning LLMs, we discover a linear correlation between self-recognition capability and the strength of self-preference bias; using controlled experiments, we show that the causal explanation resists straightforward confounders. We discuss how self-recognition can interfere with unbiased evaluations and AI safety more generally.
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We study the sample complexity of learning an $\varepsilon$-optimal policy in an average-reward Markov decision process (MDP) under a generative model. For weakly communicating MDPs, we establish the complexity bound $\widetilde{O}\left(SA\frac{\mathsf{H}}{\varepsilon^2} \right)$, where $\mathsf{H}$ is the span of the bias function of the optimal policy and $SA$ is the cardinality of the state-action space. Our result is the first that is minimax optimal (up to log factors) in all parameters $S,A,\mathsf{H}$, and $\varepsilon$, improving on existing work that either assumes uniformly bounded mixing times for all policies or has suboptimal dependence on the parameters. We also initiate the study of sample complexity in general (multichain) average-reward MDPs. We argue a new transient time parameter $\mathsf{B}$ is necessary, establish an $\widetilde{O}\left(SA\frac{\mathsf{B} + \mathsf{H}}{\varepsilon^2} \right)$ complexity bound, and prove a matching (up to log factors) minimax lower bound. Both results are based on reducing the average-reward MDP to a discounted MDP, which requires new ideas in the general setting. To optimally analyze this reduction, we develop improved bounds for $\gamma$-discounted MDPs, showing that $\widetilde{O}\left(SA\frac{\mathsf{H}}{(1-\gamma)^2\varepsilon^2} \right)$ and $\widetilde{O}\left(SA\frac{\mathsf{B} + \mathsf{H}}{(1-\gamma)^2\varepsilon^2} \right)$ samples suffice to learn $\varepsilon$-optimal policies in weakly communicating and in general MDPs, respectively. Both these results circumvent the well-known minimax lower bound of $\widetilde{\Omega}\left(SA\frac{1}{(1-\gamma)^3\varepsilon^2} \right)$ for $\gamma$-discounted MDPs, and establish a quadratic rather than cubic horizon dependence for a fixed MDP instance.
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Learning to grok: Emergence of in-context learning and skill composition in modular arithmetic tasks
Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions $z = a x + b y \text{ mod } p$ labeled by the vector $(a, b) \in \mathbb{Z}_p^2$. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is *transient*, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing highly structured representations in both attention heads and MLPs; and discuss the learned algorithms. Notably, we find an algorithmic shift in deeper models, as we go from few to many in-context examples.
-
Many animals learn cognitive maps of their environment - a simultaneous representation of context, experience, and position. Place cells in the hippocampus, named for their explicit encoding of position, are believed to be a neural substrate of these maps, with place cell "remapping" explaining how this system can represent different contexts. Briefly, place cells alter their firing properties, or "remap", in response to changes in experiential or sensory cues. Substantial sensory changes, produced, e.g., by moving between environments, cause large subpopulations of place cells to change their tuning entirely. While many studies have looked at the physiological basis of remapping, we lack explicit calculations of how the contextual capacity of the place cell system changes as a function of place field firing properties. Here, we propose a geometric approach to understanding population level activity of place cells. Using known firing field statistics, we investigate how changes to place cell firing properties affect the distances between representations of different environments within firing rate space. Using this approach, we find that the number of contexts storable by the hippocampus grows exponentially with the number of place cells, and calculate this exponent for environments of different sizes. We identify a fundamental trade-off between high resolution encoding of position and the number of storable contexts. This trade-off is tuned by place cell width, which might explain the change in firing field scale along the dorsal-ventral axis of the hippocampus. We demonstrate that clustering of place cells near likely points of confusion, such as boundaries, increases the contextual capacity of the place system within our framework and conclude by discussing how our geometric approach could be extended to include other cell types and abstract spaces.
-
We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes GPT-style AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.73, inception score (IS) from 80.4 to 350.2, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.
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Recent advancements in large vision language models have demonstrated remarkable proficiency across a wide range of tasks. Yet, these models still struggle with understanding the nuances of human humor through juxtaposition, particularly when it involves nonlinear narratives that underpin many jokes and humor cues. This paper investigates this challenge by focusing on comics with contradictory narratives, where each comic consists of two panels that create a humorous contradiction. We introduce the YesBut benchmark, which comprises tasks of varying difficulty aimed at assessing AI's capabilities in recognizing and interpreting these comics, ranging from literal content comprehension to deep narrative reasoning. Through extensive experimentation and analysis of recent commercial or open-sourced large vision language models, we assess their capability to comprehend the complex interplay of the narrative humor inherent in these comics. Our results show that even the state-of-the-art models still struggle with this task. Our findings offer insights into the current limitations and potential improvements for AI in understanding human creative expressions.
-
We introduce a novel framework for incorporating human expertise into algorithmic predictions. Our approach leverages human judgment to distinguish inputs which are *algorithmically indistinguishable*, or "look the same" to predictive algorithms. We argue that this framing clarifies the problem of human-AI collaboration in prediction tasks, as experts often form judgments by drawing on information which is not encoded in an algorithm's training data. Algorithmic indistinguishability yields a natural test for assessing whether experts incorporate this kind of "side information", and further provides a simple but principled method for selectively incorporating human feedback into algorithmic predictions. We show that this method provably improves the performance of any feasible algorithmic predictor and precisely quantify this improvement. We find empirically that although algorithms often outperform their human counterparts *on average*, human judgment can improve algorithmic predictions on *specific* instances (which can be identified ex-ante). In an X-ray classification task, we find that this subset constitutes nearly 30% of the patient population. Our approach provides a natural way of uncovering this heterogeneity and thus enabling effective human-AI collaboration.
-
Diffusion regulates numerous natural processes and the dynamics of many successful generative models. Existing models to learn the diffusion terms from observational data rely on complex bilevel optimization problems and model only the drift of the system. We propose a new simple model, JKOnet*, which bypasses the complexity of existing architectures while presenting significantly enhanced representational capabilities: JKOnet* recovers the potential, interaction, and internal energy components of the underlying diffusion process. JKOnet* minimizes a simple quadratic loss and outperforms other baselines in terms of sample efficiency, computational complexity, and accuracy. Additionally, JKOnet* provides a closed-form optimal solution for linearly parametrized functionals, and, when applied to predict the evolution of cellular processes from real-world data, it achieves state-of-the-art accuracy at a fraction of the computational cost of all existing methods. Our methodology is based on the interpretation of diffusion processes as energy-minimizing trajectories in the probability space via the so-called JKO scheme, which we study via its first-order optimality conditions.
-
We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell$MPNN, that can count cycles up to length $r{+}2$. Most notably, we show that $r$-$\ell$WL can count homomorphisms of cactus graphs. This extends 1-WL, which can only count homomorphisms of trees and, in fact, is incomparable to $k$-WL for any fixed $k$. We empirically validate the expressive and counting power of $r$-$\ell$MPNN on several synthetic datasets and demonstrate the scalability and strong performance on various real-world datasets, particularly on sparse graphs.
-
Chain-of-Thought (CoT) reasoning has emerged as a promising approach for enhancing the performance of large language models (LLMs) on complex reasoning tasks. Recently, a series of studies attempt to explain the mechanisms underlying CoT, aiming to deepen the understanding of its efficacy. Nevertheless, the existing research faces two major challenges: (1) a lack of quantitative metrics to assess CoT capabilities and (2) a dearth of guidance on optimizing CoT performance. Motivated by this, in this work, we introduce a novel reasoning boundary framework (RBF) to address these challenges. To solve the lack of quantification, we first define a reasoning boundary (RB) to quantify the upper-bound of CoT and establish a combination law for RB, enabling a practical quantitative approach applicable to various real-world CoT tasks. To address the lack of optimization, we propose three categories of RBs. We further optimize these categories with combination laws focused on RB promotion and reasoning path optimization for CoT improvement. Through extensive experiments on 27 models and 5 tasks, the study validates the existence and rationality of the proposed framework. Furthermore, it explains the effectiveness of 10 CoT strategies and guides optimization from two perspectives. We hope this work can provide a comprehensive understanding of the boundaries and optimization strategies for reasoning in LLMs. Our code and data are available at https://github.com/LightChen233/reasoning-boundary.
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Real-world applications of reinforcement learning often involve environments where agents operate on complex, high-dimensional observations, but the underlying (``latent'') dynamics are comparatively simple. However, beyond restrictive settings such as tabular latent dynamics, the fundamental statistical requirements and algorithmic principles for *reinforcement learning under latent dynamics* are poorly understood. This paper addresses the question of reinforcement learning under *general latent dynamics* from a statistical and algorithmic perspective. On the statistical side, our main negative result shows that *most* well-studied settings for reinforcement learning with function approximation become intractable when composed with rich observations; we complement this with a positive result, identifying *latent pushforward coverability* as a general condition that enables statistical tractability. Algorithmically, we develop provably efficient *observable-to-latent* reductions ---that is, reductions that transform an arbitrary algorithm for the latent MDP into an algorithm that can operate on rich observations--- in two settings: one where the agent has access to hindsight observations of the latent dynamics (Lee et al., 2023) and one where the agent can estimate *self-predictive* latent models (Schwarzer et al., 2020). Together, our results serve as a first step toward a unified statistical and algorithmic theory for reinforcement learning under latent dynamics.
-
Two-stage recommender systems play a crucial role in efficiently identifying relevant items and personalizing recommendations from a vast array of options. This paper, based on an error decomposition framework, analyzes the generalization error for two-stage recommender systems with a tree structure, which consist of an efficient tree-based retriever and a more precise yet time-consuming ranker. We use the Rademacher complexity to establish the generalization upper bound for various tree-based retrievers using beam search, as well as for different ranker models under a shifted training distribution. Both theoretical insights and practical experiments on real-world datasets indicate that increasing the branches in tree-based retrievers and harmonizing distributions across stages can enhance the generalization performance of two-stage recommender systems.
-
With the rapid development of large language models (LLMs) and ever-evolving practical requirements, finding an efficient and effective alignment method has never been more critical. However, the tension between the complexity of current alignment methods and the need for rapid iteration in deployment scenarios necessitates the development of a model-agnostic alignment approach that can operate under these constraints. In this paper, we introduce Aligner, a novel and simple alignment paradigm that learns the correctional residuals between preferred and dispreferred answers using a small model. Designed as a model-agnostic, plug-and-play module, Aligner can be directly applied to various open-source and API-based models with only one-off training, making it suitable for rapid iteration. Notably, Aligner can be applied to any powerful, large-scale upstream models. Moreover, it can even iteratively bootstrap the upstream models using corrected responses as synthetic human preference data, breaking through the model's performance ceiling. Our experiments demonstrate performance improvements by deploying the same Aligner model across 11 different LLMs, evaluated on the 3H dimensions (helpfulness, harmlessness, and honesty). Specifically, Aligner-7B has achieved an average improvement of 68.9\% in helpfulness and 23.8\% in harmlessness across the tested LLMs while also effectively reducing hallucination. In the Alpaca-Eval leaderboard, stacking Aligner-2B on GPT-4 Turbo improved its LC Win Rate from 55.0\% to 58.3\%, surpassing GPT-4 Omni's 57.5\% Win Rate (community report).
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Surveys have recently gained popularity as a tool to study large language models. By comparing models’ survey responses to those of different human reference populations, researchers aim to infer the demographics, political opinions, or values best represented by current language models. In this work, we critically examine language models' survey responses on the basis of the well-established American Community Survey by the U.S. Census Bureau. Evaluating 43 different language models using de-facto standard prompting methodologies, we establish two dominant patterns. First, models' responses are governed by ordering and labeling biases, for example, towards survey responses labeled with the letter “A”. Second, when adjusting for these systematic biases through randomized answer ordering, models across the board trend towards uniformly random survey responses, irrespective of model size or training data. As a result, models consistently appear to better represent subgroups whose aggregate statistics are closest to uniform for the survey under consideration, leading to potentially misguided conclusions about model alignment.
-
Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to $\mathcal{O}(d^{k})$ scaling of the derivative tensor size and the $\mathcal{O}(2^{k-1}L)$ scaling in the computation graph, where $d$ is the dimension of the domain, $L$ is the number of ops in the forward computation graph, and $k$ is the derivative order. In previous works, the polynomial scaling in $d$ was addressed by amortizing the computation over the optimization process via randomization. Separately, the exponential scaling in $k$ for univariate functions ($d=1$) was addressed with high-order auto-differentiation (AD). In this work, we show how to efficiently perform arbitrary contraction of the derivative tensor of arbitrary order for multivariate functions, by properly constructing the input tangents to univariate high-order AD, which can be used to efficiently randomize any differential operator. When applied to Physics-Informed Neural Networks (PINNs), our method provides >1000$\times$ speed-up and >30$\times$ memory reduction over randomization with first-order AD, and we can now solve 1-million-dimensional PDEs in 8 minutes on a single NVIDIA A100 GPU. This work opens the possibility of using high-order differential operators in large-scale problems.
-
We study causal effect estimation in a setting where the data are not i.i.d.$\ $(independent and identically distributed). We focus on exchangeable data satisfying an assumption of independent causal mechanisms. Traditional causal effect estimation frameworks, e.g., relying on structural causal models and do-calculus, are typically limited to i.i.d. data and do not extend to more general exchangeable generative processes, which naturally arise in multi-environment data. To address this gap, we develop a generalized framework for exchangeable data and introduce a truncated factorization formula that facilitates both the identification and estimation of causal effects in our setting. To illustrate potential applications, we introduce a causal Pólya urn model and demonstrate how intervention propagates effects in exchangeable data settings. Finally, we develop an algorithm that performs simultaneous causal discovery and effect estimation given multi-environment data.
-
Self-evaluation using large language models (LLMs) has proven valuable not only in benchmarking but also methods like reward modeling, constitutional AI, and self-refinement. But new biases are introduced due to the same LLM acting as both the evaluator and the evaluatee. One such bias is self-preference, where an LLM evaluator scores its own outputs higher than others’ while human annotators consider them of equal quality. But do LLMs actually recognize their own outputs when they give those texts higher scores, or is it just a coincidence? In this paper, we investigate if self-recognition capability contributes to self-preference. We discover that, out of the box, LLMs such as GPT-4 and Llama 2 have non-trivial accuracy at distinguishing themselves from other LLMs and humans. By finetuning LLMs, we discover a linear correlation between self-recognition capability and the strength of self-preference bias; using controlled experiments, we show that the causal explanation resists straightforward confounders. We discuss how self-recognition can interfere with unbiased evaluations and AI safety more generally.
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We study the sample complexity of learning an $\varepsilon$-optimal policy in an average-reward Markov decision process (MDP) under a generative model. For weakly communicating MDPs, we establish the complexity bound $\widetilde{O}\left(SA\frac{\mathsf{H}}{\varepsilon^2} \right)$, where $\mathsf{H}$ is the span of the bias function of the optimal policy and $SA$ is the cardinality of the state-action space. Our result is the first that is minimax optimal (up to log factors) in all parameters $S,A,\mathsf{H}$, and $\varepsilon$, improving on existing work that either assumes uniformly bounded mixing times for all policies or has suboptimal dependence on the parameters. We also initiate the study of sample complexity in general (multichain) average-reward MDPs. We argue a new transient time parameter $\mathsf{B}$ is necessary, establish an $\widetilde{O}\left(SA\frac{\mathsf{B} + \mathsf{H}}{\varepsilon^2} \right)$ complexity bound, and prove a matching (up to log factors) minimax lower bound. Both results are based on reducing the average-reward MDP to a discounted MDP, which requires new ideas in the general setting. To optimally analyze this reduction, we develop improved bounds for $\gamma$-discounted MDPs, showing that $\widetilde{O}\left(SA\frac{\mathsf{H}}{(1-\gamma)^2\varepsilon^2} \right)$ and $\widetilde{O}\left(SA\frac{\mathsf{B} + \mathsf{H}}{(1-\gamma)^2\varepsilon^2} \right)$ samples suffice to learn $\varepsilon$-optimal policies in weakly communicating and in general MDPs, respectively. Both these results circumvent the well-known minimax lower bound of $\widetilde{\Omega}\left(SA\frac{1}{(1-\gamma)^3\varepsilon^2} \right)$ for $\gamma$-discounted MDPs, and establish a quadratic rather than cubic horizon dependence for a fixed MDP instance.
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How did humanity coax mathematics from the aether? We explore the Platonic view that mathematics can be discovered from its axioms---a game of conjecture and proof. We describe an agent that jointly learns to pose challenging problems for itself (conjecturing) and solve them (theorem proving). Given a mathematical domain axiomatized in dependent type theory, we first combine methods for constrained decoding and type-directed synthesis to sample valid conjectures from a language model. Our method guarantees well-formed conjectures by construction, even as we start with a randomly initialized model. We use the same model to represent a policy and value function for guiding proof search. Our agent targets generating hard but provable conjectures --- a moving target, since its own theorem proving ability also improves as it trains. We propose novel methods for hindsight relabeling on proof search trees to significantly improve the agent's sample efficiency in both tasks. Experiments on 3 axiomatic domains (propositional logic, arithmetic and group theory) demonstrate that our agent can bootstrap from only the axioms, self-improving in generating true and challenging conjectures and in finding proofs.
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We consider the challenging problem of estimating causal effects from purely observational data in the bi-directional Mendelian randomization (MR), where some invalid instruments, as well as unmeasured confounding, usually exist. To address this problem, most existing methods attempt to find proper valid instrumental variables (IVs) for the target causal effect by expert knowledge or by assuming that the causal model is a one-directional MR model. As such, in this paper, we first theoretically investigate the identification of the bi-directional MR from observational data. In particular, we provide necessary and sufficient conditions under which valid IV sets are correctly identified such that the bi-directional MR model is identifiable, including the causal directions of a pair of phenotypes (i.e., the treatment and outcome). Moreover, based on the identification theory, we develop a cluster fusion-like method to discover valid IV sets and estimate the causal effects of interest. We theoretically demonstrate the correctness of the proposed algorithm. Experimental results show the effectiveness of our method for estimating causal effects in both one-directional and bi-directional MR models.
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We present a maximum entropy inverse reinforcement learning (IRL) approach for improving the sample quality of diffusion generative models, especially when the number of generation time steps is small. Similar to how IRL trains a policy based on the reward function learned from expert demonstrations, we train (or fine-tune) a diffusion model using the log probability density estimated from training data. Since we employ an energy-based model (EBM) to represent the log density, our approach boils down to the joint training of a diffusion model and an EBM. Our IRL formulation, named Diffusion by Maximum Entropy IRL (DxMI), is a minimax problem that reaches equilibrium when both models converge to the data distribution. The entropy maximization plays a key role in DxMI, facilitating the exploration of the diffusion model and ensuring the convergence of the EBM. We also propose Diffusion by Dynamic Programming (DxDP), a novel reinforcement learning algorithm for diffusion models, as a subroutine in DxMI. DxDP makes the diffusion model update in DxMI efficient by transforming the original problem into an optimal control formulation where value functions replace back-propagation in time. Our empirical studies show that diffusion models fine-tuned using DxMI can generate high-quality samples in as few as 4 and 10 steps. Additionally, DxMI enables the training of an EBM without MCMC, stabilizing EBM training dynamics and enhancing anomaly detection performance.
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Unsupervised Environment Design (UED) formalizes the problem of autocurricula through interactive training between a teacher agent and a student agent. The teacher generates new training environments with high learning potential, curating an adaptive curriculum that strengthens the student's ability to handle unseen scenarios. Existing UED methods mainly rely on *regret*, a metric that measures the difference between the agent's optimal and actual performance, to guide curriculum design. Regret-driven methods generate curricula that progressively increase environment complexity for the student but overlook environment *novelty* — a critical element for enhancing an agent's generalizability. Measuring environment novelty is especially challenging due to the underspecified nature of environment parameters in UED, and existing approaches face significant limitations. To address this, this paper introduces the *Coverage-based Evaluation of Novelty In Environment* (CENIE) framework. CENIE proposes a scalable, domain-agnostic, and curriculum-aware approach to quantifying environment novelty by leveraging the student's state-action space coverage from previous curriculum experiences. We then propose an implementation of CENIE that models this coverage and measures environment novelty using Gaussian Mixture Models. By integrating both regret and novelty as complementary objectives for curriculum design, CENIE facilitates effective exploration across the state-action space while progressively increasing curriculum complexity. Empirical evaluations demonstrate that augmenting existing regret-based UED algorithms with CENIE achieves state-of-the-art performance across multiple benchmarks, underscoring the effectiveness of novelty-driven autocurricula for robust generalization.
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Interactive preference learning systems infer human preferences by presenting queries as pairs of options and collecting binary choices. Although binary choices are simple and widely used, they provide limited information about preference strength. To address this, we leverage human response times, which are inversely related to preference strength, as an additional signal. We propose a computationally efficient method that combines choices and response times to estimate human utility functions, grounded in the EZ diffusion model from psychology. Theoretical and empirical analyses show that for queries with strong preferences, response times complement choices by providing extra information about preference strength, leading to significantly improved utility estimation. We incorporate this estimator into preference-based linear bandits for fixed-budget best-arm identification. Simulations on three real-world datasets demonstrate that using response times significantly accelerates preference learning compared to choice-only approaches. Additional materials, such as code, slides, and talk video, are available at https://shenlirobot.github.io/pages/NeurIPS24.html.
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This paper pertains to an emerging machine learning paradigm: learning higher- order functions, i.e. functions whose inputs are functions themselves, particularly when these inputs are Neural Networks (NNs). With the growing interest in architectures that process NNs, a recurring design principle has permeated the field: adhering to the permutation symmetries arising from the connectionist structure of NNs. However, are these the sole symmetries present in NN parameterizations? Zooming into most practical activation functions (e.g. sine, ReLU, tanh) answers this question negatively and gives rise to intriguing new symmetries, which we collectively refer to as scaling symmetries, that is, non-zero scalar multiplications and divisions of weights and biases. In this work, we propose Scale Equivariant Graph MetaNetworks - ScaleGMNs, a framework that adapts the Graph Metanetwork (message-passing) paradigm by incorporating scaling symmetries and thus rendering neuron and edge representations equivariant to valid scalings. We introduce novel building blocks, of independent technical interest, that allow for equivariance or invariance with respect to individual scalar multipliers or their product and use them in all components of ScaleGMN. Furthermore, we prove that, under certain expressivity conditions, ScaleGMN can simulate the forward and backward pass of any input feedforward neural network. Experimental results demonstrate that our method advances the state-of-the-art performance for several datasets and activation functions, highlighting the power of scaling symmetries as an inductive bias for NN processing. The source code is publicly available at https://github.com/jkalogero/scalegmn.
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Advances in 3D reconstruction have enabled high-quality 3D capture, but require a user to collect hundreds to thousands of images to create a 3D scene. We present CAT3D, a method for creating anything in 3D by simulating this real-world capture process with a multi-view diffusion model. Given any number of input images and a set of target novel viewpoints, our model generates highly consistent novel views of a scene. These generated views can be used as input to robust 3D reconstruction techniques to produce 3D representations that can be rendered from any viewpoint in real-time. CAT3D can create entire 3D scenes in as little as one minute, and outperforms existing methods for single image and few-view 3D scene creation.
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Beyond scaling base models with more data or parameters, fine-tuned adapters provide an alternative way to generate high fidelity, custom images at reduced costs. As such, adapters have been widely adopted by open-source communities, accumulating a database of over 100K adapters—most of which are highly customized with insufficient descriptions. To generate high quality images, this paper explores the problem of matching the prompt to a Stylus of relevant adapters, built on recent work that highlight the performance gains of composing adapters. We introduce Stylus, which efficiently selects and automatically composes task-specific adapters based on a prompt's keywords. Stylus outlines a three-stage approach that first summarizes adapters with improved descriptions and embeddings, retrieves relevant adapters, and then further assembles adapters based on prompts' keywords by checking how well they fit the prompt. To evaluate Stylus, we developed StylusDocs, a curated dataset featuring 75K adapters with pre-computed adapter embeddings. In our evaluation on popular Stable Diffusion checkpoints, Stylus achieves greater CLIP/FID Pareto efficiency and is twice as preferred, with humans and multimodal models as evaluators, over the base model.
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We consider the problem of Federated Q-learning, where $M$ agents aim to collaboratively learn the optimal Q-function of an unknown infinite horizon Markov Decision Process with finite state and action spaces. We investigate the trade-off between sample and communication complexity for the widely used class of intermittent communication algorithms. We first establish the converse result, where we show that any Federated Q-learning that offers a linear speedup with respect to number of agents in sample complexity needs to incur a communication cost of at least $\Omega(\frac{1}{1-\gamma})$, where $\gamma$ is the discount factor. We also propose a new Federated Q-learning algorithm, called Fed-DVR-Q, which is the first Federated Q-learning algorithm to simultaneously achieve order-optimal sample and communication complexities. Thus, together these results provide a complete characterization of the sample-communication complexity trade-off in Federated Q-learning.
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The primary axes of interest in image-generating diffusion models are image quality, the amount of variation in the results, and how well the results align with a given condition, e.g., a class label or a text prompt. The popular classifier-free guidance approach uses an unconditional model to guide a conditional model, leading to simultaneously better prompt alignment and higher-quality images at the cost of reduced variation. These effects seem inherently entangled, and thus hard to control. We make the surprising observation that it is possible to obtain disentangled control over image quality without compromising the amount of variation by guiding generation using a smaller, less-trained version of the model itself rather than an unconditional model. This leads to significant improvements in ImageNet generation, setting record FIDs of 1.01 for 64x64 and 1.25 for 512x512, using publicly available networks. Furthermore, the method is also applicable to unconditional diffusion models, drastically improving their quality.
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3D Referring Expression Segmentation (3D-RES) aims to segment 3D objects by correlating referring expressions with point clouds. However, traditional approaches frequently encounter issues like over-segmentation or mis-segmentation, due to insufficient emphasis on spatial information of instances. In this paper, we introduce a Rule-Guided Spatial Awareness Network (RG-SAN) by utilizing solely the spatial information of the target instance for supervision. This approach enables the network to accurately depict the spatial relationships among all entities described in the text, thus enhancing the reasoning capabilities. The RG-SAN consists of the Text-driven Localization Module (TLM) and the Rule-guided Weak Supervision (RWS) strategy. The TLM initially locates all mentioned instances and iteratively refines their positional information. The RWS strategy, acknowledging that only target objects have supervised positional information, employs dependency tree rules to precisely guide the core instance’s positioning. Extensive testing on the ScanRefer benchmark has shown that RG-SAN not only establishes new performance benchmarks, with an mIoU increase of 5.1 points, but also exhibits significant improvements in robustness when processing descriptions with spatial ambiguity. All codes are available at https://github.com/sosppxo/RG-SAN.
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We introduce VASA, a framework for generating lifelike talking faces with appealing visual affective skills (VAS) given a single static image and a speech audio clip. Our premiere model, VASA-1, is capable of not only generating lip movements that are exquisitely synchronized with the audio, but also producing a large spectrum of facial nuances and natural head motions that contribute to the perception of authenticity and liveliness. The core innovations include a diffusion-based holistic facial dynamics and head movement generation model that works in a face latent space, and the development of such an expressive and disentangled face latent space using videos. Through extensive experiments including evaluation on a set of new metrics, we show that our method significantly outperforms previous methods along various dimensions comprehensively. Our method delivers high video quality with realistic facial and head dynamics and also supports the online generation of 512$\times$512 videos at up to 40 FPS with negligible starting latency. It paves the way for real-time engagements with lifelike avatars that emulate human conversational behaviors.
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Simulating large scenes with many rigid objects is crucial for a variety of applications, such as robotics, engineering, film and video games. Rigid interactions are notoriously hard to model: small changes to the initial state or the simulation parameters can lead to large changes in the final state. Recently, learned simulators based on graph networks (GNNs) were developed as an alternative to hand-designed simulators like MuJoCo and Bullet. They are able to accurately capture dynamics of real objects directly from real-world observations. However, current state-of-the-art learned simulators operate on meshes and scale poorly to scenes with many objects or detailed shapes. Here we present SDF-Sim, the first learned rigid-body simulator designed for scale. We use learned signed-distance functions (SDFs) to represent the object shapes and to speed up distance computation. We design the simulator to leverage SDFs and avoid the fundamental bottleneck of the previous simulators associated with collision detection. For the first time in literature, we demonstrate that we can scale the GNN-based simulators to scenes with hundreds of objects and up to 1.1 million nodes, where mesh-based approaches run out of memory. Finally, we show that SDF-Sim can be applied to real world scenes by extracting SDFs from multi-view images.
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Neural wave functions accomplished unprecedented accuracies in approximating the ground state of many-electron systems, though at a high computational cost. Recent works proposed amortizing the cost by learning generalized wave functions across different structures and compounds instead of solving each problem independently. Enforcing the permutation antisymmetry of electrons in such generalized neural wave functions remained challenging as existing methods require discrete orbital selection via non-learnable hand-crafted algorithms. This work tackles the problem by defining overparametrized, fully learnable neural wave functions suitable for generalization across molecules. We achieve this by relying on Pfaffians rather than Slater determinants. The Pfaffian allows us to enforce the antisymmetry on arbitrary electronic systems without any constraint on electronic spin configurations or molecular structure. Our empirical evaluation finds that a single neural Pfaffian calculates the ground state and ionization energies with chemical accuracy across various systems. On the TinyMol dataset, we outperform the `gold-standard' CCSD(T) CBS reference energies by 1.9m$E_h$ and reduce energy errors compared to previous generalized neural wave functions by up to an order of magnitude.
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Federated learning (FL) has emerged as a prominent machine learning paradigm in edge computing environments, enabling edge devices to collaboratively optimize a global model without sharing their private data. However, existing FL frameworks suffer from efficacy deterioration due to the system heterogeneity inherent in edge computing, especially in the presence of domain shifts across local data. In this paper, we propose a heterogeneous FL framework DapperFL, to enhance model performance across multiple domains. In DapperFL, we introduce a dedicated Model Fusion Pruning (MFP) module to produce personalized compact local models for clients to address the system heterogeneity challenges. The MFP module prunes local models with fused knowledge obtained from both local and remaining domains, ensuring robustness to domain shifts. Additionally, we design a Domain Adaptive Regularization (DAR) module to further improve the overall performance of DapperFL. The DAR module employs regularization generated by the pruned model, aiming to learn robust representations across domains. Furthermore, we introduce a specific aggregation algorithm for aggregating heterogeneous local models with tailored architectures and weights. We implement DapperFL on a real-world FL platform with heterogeneous clients. Experimental results on benchmark datasets with multiple domains demonstrate that DapperFL outperforms several state-of-the-art FL frameworks by up to 2.28%, while significantly achieving model volume reductions ranging from 20% to 80%. Our code is available at: https://github.com/jyzgh/DapperFL.
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The denoising model has been proven a powerful generative model but has little exploration of discriminative tasks. Representation learning is important in discriminative tasks, which is defined as *"learning representations (or features) of the data that make it easier to extract useful information when building classifiers or other predictors"*. In this paper, we propose a novel Denoising Model for Representation Learning (*DenoiseRep*) to improve feature discrimination with joint feature extraction and denoising. *DenoiseRep* views each embedding layer in a backbone as a denoising layer, processing the cascaded embedding layers as if we are recursively denoise features step-by-step. This unifies the frameworks of feature extraction and denoising, where the former progressively embeds features from low-level to high-level, and the latter recursively denoises features step-by-step. After that, *DenoiseRep* fuses the parameters of feature extraction and denoising layers, and *theoretically demonstrates* its equivalence before and after the fusion, thus making feature denoising computation-free. *DenoiseRep* is a label-free algorithm that incrementally improves features but also complementary to the label if available. Experimental results on various discriminative vision tasks, including re-identification (Market-1501, DukeMTMC-reID, MSMT17, CUHK-03, vehicleID), image classification (ImageNet, UB200, Oxford-Pet, Flowers), object detection (COCO), image segmentation (ADE20K) show stability and impressive improvements. We also validate its effectiveness on the CNN (ResNet) and Transformer (ViT, Swin, Vmamda) architectures.
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Recent works on the parallel complexity of Boosting have established strong lower bounds on the tradeoff between the number of training rounds $p$ and the total parallel work per round $t$. These works have also presented highly non-trivial parallel algorithms that shed light on different regions of this tradeoff. Despite these advancements, a significant gap persists between the theoretical lower bounds and the performance of these algorithms across much of the tradeoff space. In this work, we essentially close this gap by providing both improved lower bounds on the parallel complexity of weak-to-strong learners, and a parallel Boosting algorithm whose performance matches these bounds across the entire $p$ vs. $t$ compromise spectrum, up to logarithmic factors. Ultimately, this work settles the parallel complexity of Boosting algorithms that are nearly sample-optimal.
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In this paper, we introduce DeAR (_Decompose-Analyze-Rethink_), a framework that iteratively builds a reasoning tree to tackle intricate problems within a single large language model (LLM). Unlike approaches that extend or search for rationales, DeAR is featured by 1) adopting a tree-based question decomposition manner to plan the organization of rationales, which mimics the logical planning inherent in human cognition; 2) globally updating the rationales at each reasoning step through natural language feedback. Specifically, the _Decompose_ stage decomposes the question into simpler sub-questions, storing them as new nodes; the _Analyze_ stage generates and self-checks rationales for sub-questions at each node evel; and the _Rethink_ stage updates parent-node rationales based on feedback from their child nodes. By generating and updating the reasoning process from a more global perspective, DeAR constructs more adaptive and accurate logical structures for complex problems, facilitating timely error correction compared to rationale-extension and search-based approaches such as Tree-of-Thoughts (ToT) and Graph-of-Thoughts (GoT). We conduct extensive experiments on three reasoning benchmarks, including ScienceQA, StrategyQA, and GSM8K, which cover a variety of reasoning tasks, demonstrating that our approach significantly reduces logical errors and enhances performance across various LLMs. Furthermore, we validate that DeAR is an efficient method that achieves a superior trade-off between accuracy and reasoning time compared to ToT and GoT.
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*Visual reprogramming* (VR) leverages the intrinsic capabilities of pretrained vision models by adapting their input or output interfaces to solve downstream tasks whose labels (i.e., downstream labels) might be totally different from the labels associated with the pretrained models (i.e., pretrained labels). When adapting the output interface, label mapping methods transform the pretrained labels to downstream labels by establishing a gradient-free one-to-one correspondence between the two sets of labels. However, in this paper, we reveal that one-to-one mappings may overlook the complex relationship between pretrained and downstream labels. Motivated by this observation, we propose a ***B**ayesian-guided **L**abel **M**apping* (BLM) method. BLM constructs an iteratively-updated probabilistic label mapping matrix, with each element quantifying a pairwise relationship between pretrained and downstream labels. The assignment of values to the constructed matrix is guided by Bayesian conditional probability, considering the joint distribution of the downstream labels and the labels predicted by the pretrained model on downstream samples. Experiments conducted on both pretrained vision models (e.g., ResNeXt) and vision-language models (e.g., CLIP) demonstrate the superior performance of BLM over existing label mapping methods. The success of BLM also offers a probabilistic lens through which to understand and analyze the effectiveness of VR. Our code is available at https://github.com/tmlr-group/BayesianLM.
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When humans need to learn a new skill, we can acquire knowledge through written books, including textbooks, tutorials, etc. However, current research for decision-making, like reinforcement learning (RL), has primarily required numerous real interactions with the target environment to learn a skill, while failing to utilize the existing knowledge already summarized in the text. The success of Large Language Models (LLMs) sheds light on utilizing such knowledge behind the books. In this paper, we discuss a new policy learning problem called Policy Learning from tutorial Books (PLfB) upon the shoulders of LLMs’ systems, which aims to leverage rich resources such as tutorial books to derive a policy network. Inspired by how humans learn from books, we solve the problem via a three-stage framework: Understanding, Rehearsing, and Introspecting (URI). In particular, it first rehearses decision-making trajectories based on the derived knowledge after understanding the books, then introspects in the imaginary dataset to distill a policy network. We build two benchmarks for PLfB~based on Tic-Tac-Toe and Football games. In experiment, URI's policy achieves at least 44% net win rate against GPT-based agents without any real data; In Football game, which is a complex scenario, URI's policy beat the built-in AIs with a 37% while using GPT-based agent can only achieve a 6\% winning rate. The project page: https://plfb-football.github.io.
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This paper studies the problem of estimating physical properties (system identification) through visual observations. To facilitate geometry-aware guidance in physical property estimation, we introduce a novel hybrid framework that leverages 3D Gaussian representation to not only capture explicit shapes but also enable the simulated continuum to render object masks as 2D shape surrogates during training. We propose a new dynamic 3D Gaussian framework based on motion factorization to recover the object as 3D Gaussian point sets across different time states. Furthermore, we develop a coarse-to-fine filling strategy to generate the density fields of the object from the Gaussian reconstruction, allowing for the extraction of object continuums along with their surfaces and the integration of Gaussian attributes into these continuum. In addition to the extracted object surfaces, the Gaussian-informed continuum also enables the rendering of object masks during simulations, serving as 2D-shape guidance for physical property estimation. Extensive experimental evaluations demonstrate that our pipeline achieves state-of-the-art performance across multiple benchmarks and metrics. Additionally, we illustrate the effectiveness of the proposed method through real-world demonstrations, showcasing its practical utility. Our project page is at https://jukgei.github.io/project/gic.
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There has been significant interest in "extreme" compression of large language models (LLMs), i.e. to 1-2 bits per parameter, which allows such models to be executed efficiently on resource-constrained devices. Existing work focused on improved one-shot quantization techniques and weight representations; yet, purely post-training approaches are reaching diminishing returns in terms of the accuracy-vs-bit-width trade-off. State-of-the-art quantization methods such as QuIP# and AQLM include fine-tuning (part of) the compressed parameters over a limited amount of calibration data; however, such fine-tuning techniques over compressed weights often make exclusive use of straight-through estimators (STE), whose performance is not well-understood in this setting. In this work, we question the use of STE for extreme LLM compression, showing that it can be sub-optimal, and perform a systematic study of quantization-aware fine-tuning strategies for LLMs. We propose PV-Tuning - a representation-agnostic framework that generalizes and improves upon existing fine-tuning strategies, and provides convergence guarantees in restricted cases. On the practical side, when used for 1-2 bit vector quantization, PV-Tuning outperforms prior techniques for highly-performant models such as Llama and Mistral. Using PV-Tuning, we achieve the first Pareto-optimal quantization for Llama-2 family models at 2 bits per parameter.
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Large Language Models (LLMs) have demonstrated proficiency in utilizing various tools by coding, yet they face limitations in handling intricate logic and precise control. In embodied tasks, high-level planning is amenable to direct coding, while low-level actions often necessitate task-specific refinement, such as Reinforcement Learning (RL). To seamlessly integrate both modalities, we introduce a two-level hierarchical framework, RL-GPT, comprising a slow agent and a fast agent. The slow agent analyzes actions suitable for coding, while the fast agent executes coding tasks. This decomposition effectively focuses each agent on specific tasks, proving highly efficient within our pipeline. Our approach outperforms traditional RL methods and existing GPT agents, demonstrating superior efficiency. In the Minecraft game, it rapidly obtains diamonds within a single day on an RTX3090. Additionally, it achieves SOTA performance across all designated MineDojo tasks.
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Distributional reinforcement learning (DRL) has achieved empirical success in various domains. One of the core tasks in the field of DRL is distributional policy evaluation, which involves estimating the return distribution $\eta^\pi$ for a given policy $\pi$. The distributional temporal difference learning has been accordingly proposed, which is an extension of the temporal difference learning (TD) in the classic RL area. In the tabular case, Rowland et al. [2018] and Rowland et al. [2023] proved the asymptotic convergence of two instances of distributional TD, namely categorical temporal difference learning (CTD) and quantile temporal difference learning (QTD), respectively. In this paper, we go a step further and analyze the finite-sample performance of distributional TD. To facilitate theoretical analysis, we propose a non-parametric distributional TD learning (NTD). For a $\gamma$-discounted infinite-horizon tabular Markov decision process, we show that for NTD we need $\widetilde O\left(\frac{1}{\varepsilon^{2p}(1-\gamma)^{2p+1}}\right)$ iterations to achieve an $\varepsilon$-optimal estimator with high probability, when the estimation error is measured by the $p$-Wasserstein distance. This sample complexity bound is minimax optimal (up to logarithmic factors) in the case of the $1$-Wasserstein distance. To achieve this, we establish a novel Freedman's inequality in Hilbert spaces, which would be of independent interest. In addition, we revisit CTD, showing that the same non-asymptotic convergence bounds hold for CTD in the case of the $p$-Wasserstein distance.
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Graph Contrastive Learning (GCL) has emerged as a powerful approach for generating graph representations without the need for manual annotation. Most advanced GCL methods fall into three main frameworks: node discrimination, group discrimination, and bootstrapping schemes, all of which achieve comparable performance. However, the underlying mechanisms and factors that contribute to their effectiveness are not yet fully understood. In this paper, we revisit these frameworks and reveal a common mechanism—representation scattering—that significantly enhances their performance. Our discovery highlights an essential feature of GCL and unifies these seemingly disparate methods under the concept of representation scattering. To leverage this insight, we introduce Scattering Graph Representation Learning (SGRL), a novel framework that incorporates a new representation scattering mechanism designed to enhance representation diversity through a center-away strategy. Additionally, consider the interconnected nature of graphs, we develop a topology-based constraint mechanism that integrates graph structural properties with representation scattering to prevent excessive scattering. We extensively evaluate SGRL across various downstream tasks on benchmark datasets, demonstrating its efficacy and superiority over existing GCL methods. Our findings underscore the significance of representation scattering in GCL and provide a structured framework for harnessing this mechanism to advance graph representation learning. The code of SGRL is at https://github.com/hedongxiao-tju/SGRL.
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We introduce a decoder-decoder architecture, YOCO, for large language models, which only caches key-value pairs once. It consists of two components, i.e., a cross-decoder stacked upon a self-decoder. The self-decoder efficiently encodes global key-value (KV) caches that are reused by the cross-decoder via cross-attention. The overall model behaves like a decoder-only Transformer, although YOCO only caches once. The design substantially reduces GPU memory demands, yet retains global attention capability. Additionally, the computation flow enables prefilling to early exit without changing the final output, thereby significantly speeding up the prefill stage. Experimental results demonstrate that YOCO achieves favorable performance compared to Transformer in various settings of scaling up model size and number of training tokens. We also extend YOCO to 1M context length with near-perfect needle retrieval accuracy. The profiling results show that YOCO improves inference memory, prefill latency, and throughput by orders of magnitude across context lengths and model sizes.
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Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.
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Quantization of large language models (LLMs) faces significant challenges, particularly due to the presence of outlier activations that impede efficient low-bit representation. Traditional approaches predominantly address Normal Outliers, which are activations across all tokens with relatively large magnitudes. However, these methods struggle with smoothing Massive Outliers that display significantly larger values, which leads to significant performance degradation in low-bit quantization. In this paper, we introduce DuQuant, a novel approach that utilizes rotation and permutation transformations to more effectively mitigate both massive and normal outliers. First, DuQuant starts by constructing the rotation matrix, using specific outlier dimensions as prior knowledge, to redistribute outliers to adjacent channels by block-wise rotation. Second, We further employ a zigzag permutation to balance the distribution of outliers across blocks, thereby reducing block-wise variance. A subsequent rotation further smooths the activation landscape, enhancing model performance. DuQuant simplifies the quantization process and excels in managing outliers, outperforming the state-of-the-art baselines across various sizes and types of LLMs on multiple tasks, even with 4-bit weight-activation quantization. Our code is available at https://github.com/Hsu1023/DuQuant.
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Previous language model pre-training methods have uniformly applied a next-token prediction loss to all training tokens. Challenging this norm, we posit that ''Not all tokens in a corpus are equally important for language model training''. Our initial analysis examines token-level training dynamics of language model, revealing distinct loss patterns for different tokens. Leveraging these insights, we introduce a new language model called Rho-1. Unlike traditional LMs that learn to predict every next token in a corpus, Rho-1 employs Selective Language Modeling (SLM), which selectively trains on useful tokens that aligned with the desired distribution. This approach involves scoring training tokens using a reference model, and then training the language model with a focused loss on tokens with higher scores. When continual continual pretraining on 15B OpenWebMath corpus, Rho-1 yields an absolute improvement in few-shot accuracy of up to 30% in 9 math tasks. After fine-tuning, Rho-1-1B and 7B achieved state-of-the-art results of 40.6% and 51.8% on MATH dataset, respectively - matching DeepSeekMath with only 3% of the pretraining tokens. Furthermore, when continual pretraining on 80B general tokens, Rho-1 achieves 6.8% average enhancement across 15 diverse tasks, increasing both data efficiency and performance of the language model pre-training.
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We study clustering under anisotropic Gaussian Mixture Models (GMMs), where covariance matrices from different clusters are unknown and are not necessarily the identity matrix. We analyze two anisotropic scenarios: homogeneous, with identical covariance matrices, and heterogeneous, with distinct matrices per cluster. For these models, we derive minimax lower bounds that illustrate the critical influence of covariance structures on clustering accuracy. To solve the clustering problem, we consider a variant of Lloyd's algorithm, adapted to estimate and utilize covariance information iteratively. We prove that the adjusted algorithm not only achieves the minimax optimality but also converges within a logarithmic number of iterations, thus bridging the gap between theoretical guarantees and practical efficiency.
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Unconditional generation -- the problem of modeling data distribution without relying on human-annotated labels -- is a long-standing and fundamental challenge in generative models, creating a potential of learning from large-scale unlabeled data. In the literature, the generation quality of an unconditional method has been much worse than that of its conditional counterpart. This gap can be attributed to the lack of semantic information provided by labels. In this work, we show that one can close this gap by generating semantic representations in the representation space produced by a self-supervised encoder. These representations can be used to condition the image generator. This framework, called Representation-Conditioned Generation (RCG), provides an effective solution to the unconditional generation problem without using labels. Through comprehensive experiments, we observe that RCG significantly improves unconditional generation quality: e.g., it achieves a new state-of-the-art FID of 2.15 on ImageNet 256x256, largely reducing the previous best of 5.91 by a relative 64%. Our unconditional results are situated in the same tier as the leading class-conditional ones. We hope these encouraging observations will attract the community's attention to the fundamental problem of unconditional generation. Code is available at [https://github.com/LTH14/rcg](https://github.com/LTH14/rcg).
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We introduce Cambrian-1, a family of multimodal LLMs (MLLMs) designed with a vision-centric approach. While stronger language models can enhance multimodal capabilities, the design choices for vision components are often insufficiently explored and disconnected from visual representation learning research. This gap hinders accurate sensory grounding in real-world scenarios. Our study uses LLMs and visual instruction tuning as an interface to evaluate various visual representations, offering new insights into different models and architectures—self-supervised, strongly supervised, or combinations thereof—based on experiments with over 15 vision models. We critically examine existing MLLM benchmarks, addressing the difficulties involved in consolidating and interpreting results from various tasks. To further improve visual grounding, we propose spatial vision aggregator (SVA), a dynamic and spatially-aware connector that integrates vision features with LLMs while reducing the number of tokens. Additionally, we discuss the curation of high-quality visual instruction-tuning data from publicly available sources, emphasizing the importance of distribution balancing. Collectively, Cambrian-1 not only achieves state-of-the-art performances but also serves as a comprehensive, open cookbook for instruction-tuned MLLMs. We provide model weights, code, supporting tools, datasets, and detailed instruction-tuning and evaluation recipes. We hope our release will inspire and accelerate advancements in multimodal systems and visual representation learning.
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Foundation models are becoming valuable tools in medicine. Yet despite their promise, the best way to leverage Large Language Models (LLMs) in complex medical tasks remains an open question. We introduce a novel multi-agent framework, named **M**edical **D**ecision-making **Agents** (**MDAgents**) that helps to address this gap by automatically assigning a collaboration structure to a team of LLMs. The assigned solo or group collaboration structure is tailored to the medical task at hand, a simple emulation inspired by the way real-world medical decision-making processes are adapted to tasks of different complexities. We evaluate our framework and baseline methods using state-of-the-art LLMs across a suite of real-world medical knowledge and clinical diagnosis benchmarks, including a comparison of LLMs’ medical complexity classification against human physicians. MDAgents achieved the **best performance in seven out of ten** benchmarks on tasks requiring an understanding of medical knowledge and multi-modal reasoning, showing a significant **improvement of up to 4.2\%** ($p$ < 0.05) compared to previous methods' best performances. Ablation studies reveal that MDAgents effectively determines medical complexity to optimize for efficiency and accuracy across diverse medical tasks. Notably, the combination of moderator review and external medical knowledge in group collaboration resulted in an average accuracy **improvement of 11.8\%**. Our code can be found at https://github.com/mitmedialab/MDAgents.
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Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecule generation, integrating multiple properties such as synthetic score and gas permeability as condition constraints into diffusion models remains unexplored. We present the Graph Diffusion Transformer (Graph DiT) for multi-conditional molecular generation. Graph DiT has a condition encoder to learn the representation of numerical and categorical properties and utilizes a Transformer-based graph denoiser to achieve molecular graph denoising under conditions. Unlike previous graph diffusion models that add noise separately on the atoms and bonds in the forward diffusion process, we propose a graph-dependent noise model for training Graph DiT, designed to accurately estimate graph-related noise in molecules. We extensively validate the Graph DiT for multi-conditional polymer and small molecule generation. Results demonstrate our superiority across metrics from distribution learning to condition control for molecular properties. A polymer inverse design task for gas separation with feedback from domain experts further demonstrates its practical utility. The code is available at https://github.com/liugangcode/Graph-DiT.
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Open-world 3D reconstruction models have recently garnered significant attention. However, without sufficient 3D inductive bias, existing methods typically entail expensive training costs and struggle to extract high-quality 3D meshes. In this work, we introduce MeshFormer, a sparse-view reconstruction model that explicitly leverages 3D native structure, input guidance, and training supervision. Specifically, instead of using a triplane representation, we store features in 3D sparse voxels and combine transformers with 3D convolutions to leverage an explicit 3D structure and projective bias. In addition to sparse-view RGB input, we require the network to take input and generate corresponding normal maps. The input normal maps can be predicted by 2D diffusion models, significantly aiding in the guidance and refinement of the geometry's learning. Moreover, by combining Signed Distance Function (SDF) supervision with surface rendering, we directly learn to generate high-quality meshes without the need for complex multi-stage training processes. By incorporating these explicit 3D biases, MeshFormer can be trained efficiently and deliver high-quality textured meshes with fine-grained geometric details. It can also be integrated with 2D diffusion models to enable fast single-image-to-3D and text-to-3D tasks. **Videos are available at https://meshformer3d.github.io/**
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Spatiotemporal learning has become a pivotal technique to enable urban intelligence. Traditional spatiotemporal models mostly focus on a specific task by assuming a same distribution between training and testing sets. However, given that urban systems are usually dynamic, multi-sourced with imbalanced data distributions, current specific task-specific models fail to generalize to new urban conditions and adapt to new domains without explicitly modeling interdependencies across various dimensions and types of urban data. To this end, we argue that there is an essential to propose a Continuous Multi-task Spatio-Temporal learning framework (CMuST) to empower collective urban intelligence, which reforms the urban spatiotemporal learning from single-domain to cooperatively multi-dimensional and multi-task learning. Specifically, CMuST proposes a new multi-dimensional spatiotemporal interaction network (MSTI) to allow cross-interactions between context and main observations as well as self-interactions within spatial and temporal aspects to be exposed, which is also the core for capturing task-level commonality and personalization. To ensure continuous task learning, a novel Rolling Adaptation training scheme (RoAda) is devised, which not only preserves task uniqueness by constructing data summarization-driven task prompts, but also harnesses correlated patterns among tasks by iterative model behavior modeling. We further establish a benchmark of three cities for multi-task spatiotemporal learning, and empirically demonstrate the superiority of CMuST via extensive evaluations on these datasets. The impressive improvements on both few-shot streaming data and new domain tasks against existing SOAT methods are achieved. Code is available at https://github.com/DILab-USTCSZ/CMuST.
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Adapting Large Language Models (LLMs) to new tasks through fine-tuning has been made more efficient by the introduction of Parameter-Efficient Fine-Tuning (PEFT) techniques, such as LoRA. However, these methods often underperform compared to full fine-tuning, particularly in scenarios involving complex datasets. This issue becomes even more pronounced in complex domains, highlighting the need for improved PEFT approaches that can achieve better performance. Through a series of experiments, we have uncovered two critical insights that shed light on the training and parameter inefficiency of LoRA. Building on these insights, we have developed HydraLoRA, a LoRA framework with an asymmetric structure that eliminates the need for domain expertise. Our experiments demonstrate that HydraLoRA outperforms other PEFT approaches, even those that rely on domain knowledge during the training and inference phases. Our anonymous codes are submitted with the paper and will be publicly available. Code is available: https://github.com/Clin0212/HydraLoRA.
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Monte-Carlo tree search (MCTS) and reinforcement learning contributed crucially to the success of AlphaGo and AlphaZero, and A$^*$ is a tree search algorithm among the most well-known ones in the classical AI literature. MCTS and A$^*$ both perform heuristic search and are mutually beneficial. Efforts have been made to the renaissance of A$^*$ from three possible aspects, two of which have been confirmed by studies in recent years, while the third is about the OPEN list that consists of open nodes of A$^*$ search, but still lacks deep investigation. This paper aims at the third, i.e., developing the Sampling-exploration enhanced A$^*$ (SeeA$^*$) search by constructing a dynamic subset of OPEN through a selective sampling process, such that the node with the best heuristic value in this subset instead of in the OPEN is expanded. Nodes with the best heuristic values in OPEN are most probably picked into this subset, but sometimes may not be included, which enables SeeA$^*$ to explore other promising branches. Three sampling techniques are presented for comparative investigations. Moreover, under the assumption about the distribution of prediction errors, we have theoretically shown the superior efficiency of SeeA$^*$ over A$^*$ search, particularly when the accuracy of the guiding heuristic function is insufficient. Experimental results on retrosynthetic planning in organic chemistry, logic synthesis in integrated circuit design, and the classical Sokoban game empirically demonstrate the efficiency of SeeA$^*$, in comparison with the state-of-the-art heuristic search algorithms.
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Recent approaches have shown promises distilling expensive diffusion models into efficient one-step generators. Amongst them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, i.e., the distillation process does not enforce a one-to-one correspondence with the sampling trajectories of their teachers. However, to ensure stable training in practice, DMD requires an additional regression loss computed using a large set of noise--image pairs, generated by the teacher with many steps of a deterministic sampler. This is not only computationally expensive for large-scale text-to-image synthesis, but it also limits the student's quality, tying it too closely to the teacher's original sampling paths. We introduce DMD2, a set of techniques that lift this limitation and improve DMD training. First, we eliminate the regression loss and the need for expensive dataset construction. We show that the resulting instability is due to the "fake" critic not estimating the distribution of generated samples with sufficient accuracy and propose a two time-scale update rule as a remedy. Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images. This lets us train the student model on real data, thus mitigating the imperfect "real" score estimation from the teacher model, and thereby enhancing quality. Third, we introduce a new training procedure that enables multi-step sampling in the student, and addresses the training--inference input mismatch of previous work, by simulating inference-time generator samples during training. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64×64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost. Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods, and surpassing the teacher. We release our code and pretrained models.
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Multimodal image fusion and object detection are crucial for autonomous driving. While current methods have advanced the fusion of texture details and semantic information, their complex training processes hinder broader applications. Addressing this challenge, we introduce E2E-MFD, a novel end-to-end algorithm for multimodal fusion detection. E2E-MFD streamlines the process, achieving high performance with a single training phase. It employs synchronous joint optimization across components to avoid suboptimal solutions associated to individual tasks. Furthermore, it implements a comprehensive optimization strategy in the gradient matrix for shared parameters, ensuring convergence to an optimal fusion detection configuration. Our extensive testing on multiple public datasets reveals E2E-MFD's superior capabilities, showcasing not only visually appealing image fusion but also impressive detection outcomes, such as a 3.9\% and 2.0\% $\text{mAP}_{50}$ increase on horizontal object detection dataset M3FD and oriented object detection dataset DroneVehicle, respectively, compared to state-of-the-art approaches.
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Various linear complexity models, such as Linear Transformer (LinFormer), State Space Model (SSM), and Linear RNN (LinRNN), have been proposed to replace the conventional softmax attention in Transformer structures. However, the optimal design of these linear models is still an open question. In this work, we attempt to answer this question by finding the best linear approximation to softmax attention from a theoretical perspective. We start by unifying existing linear complexity models as the linear attention form and then identify three conditions for the optimal linear attention design: (1) Dynamic memory ability; (2) Static approximation ability; (3) Least parameter approximation. We find that none of the current linear models meet all three conditions, resulting in suboptimal performance. Instead, we propose Meta Linear Attention (MetaLA) as a solution that satisfies these conditions. Our experiments on Multi-Query Associative Recall (MQAR) task, language modeling, image classification, and Long-Range Arena (LRA) benchmark demonstrate that MetaLA is more effective than the existing linear models.
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Recent advancements have shown promise in applying traditional Semi-Supervised Learning strategies to the task of Generalized Category Discovery (GCD). Typically, this involves a teacher-student framework in which the teacher imparts knowledge to the student to classify categories, even in the absence of explicit labels. Nevertheless, GCD presents unique challenges, particularly the absence of priors for new classes, which can lead to the teacher's misguidance and unsynchronized learning with the student, culminating in suboptimal outcomes. In our work, we delve into why traditional teacher-student designs falter in generalized category discovery as compared to their success in closed-world semi-supervised learning. We identify inconsistent pattern learning as the crux of this issue and introduce FlipClass—a method that dynamically updates the teacher to align with the student's attention, instead of maintaining a static teacher reference. Our teacher-attention-update strategy refines the teacher's focus based on student feedback, promoting consistent pattern recognition and synchronized learning across old and new classes. Extensive experiments on a spectrum of benchmarks affirm that FlipClass significantly surpasses contemporary GCD methods, establishing new standards for the field.
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Reconstruction of static visual stimuli from non-invasion brain activity fMRI achieves great success, owning to advanced deep learning models such as CLIP and Stable Diffusion. However, the research on fMRI-to-video reconstruction remains limited since decoding the spatiotemporal perception of continuous visual experiences is formidably challenging. We contend that the key to addressing these challenges lies in accurately decoding both high-level semantics and low-level perception flows, as perceived by the brain in response to video stimuli. To the end, we propose NeuroClips, an innovative framework to decode high-fidelity and smooth video from fMRI. NeuroClips utilizes a semantics reconstructor to reconstruct video keyframes, guiding semantic accuracy and consistency, and employs a perception reconstructor to capture low-level perceptual details, ensuring video smoothness. During inference, it adopts a pre-trained T2V diffusion model injected with both keyframes and low-level perception flows for video reconstruction. Evaluated on a publicly available fMRI-video dataset, NeuroClips achieves smooth high-fidelity video reconstruction of up to 6s at 8FPS, gaining significant improvements over state-of-the-art models in various metrics, e.g., a 128% improvement in SSIM and an 81% improvement in spatiotemporal metrics. Our project is available at https://github.com/gongzix/NeuroClips.
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Existing learning rate schedules that do not require specification of the optimization stopping step $T$ are greatly out-performed by learning rate schedules that depend on $T$. We propose an approach that avoids the need for this stopping time by eschewing the use of schedules entirely, while exhibiting state-of-the-art performance compared to schedules across a wide family of problems ranging from convex problems to large-scale deep learning problems. Our Schedule-Free approach introduces no additional hyper-parameters over standard optimizers with momentum. Our method is a direct consequence of a new theory we develop that unifies scheduling and iterate averaging. An open source implementation of our method is available at https://github.com/facebookresearch/schedule_free. Schedule-Free AdamW is the core algorithm behind our winning entry to the MLCommons 2024 AlgoPerf Algorithmic Efficiency Challenge Self-Tuning track.
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With the increasing inference cost of machine learning models, there is a growing interest in models with fast and efficient inference. Recently, an approach for learning logic gate networks directly via a differentiable relaxation was proposed. Logic gate networks are faster than conventional neural network approaches because their inference only requires logic gate operators such as NAND, OR, and XOR, which are the underlying building blocks of current hardware and can be efficiently executed. We build on this idea, extending it by deep logic gate tree convolutions, logical OR pooling, and residual initializations. This allows scaling logic gate networks up by over one order of magnitude and utilizing the paradigm of convolution. On CIFAR-10, we achieve an accuracy of 86.29% using only 61 million logic gates, which improves over the SOTA while being 29x smaller.
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We focus on offline imitation learning (IL), which aims to mimic an expert's behavior using demonstrations without any interaction with the environment. One of the main challenges in offline IL is the limited support of expert demonstrations, which typically cover only a small fraction of the state-action space. While it may not be feasible to obtain numerous expert demonstrations, it is often possible to gather a larger set of sub-optimal demonstrations. For example, in treatment optimization problems, there are varying levels of doctor treatments available for different chronic conditions. These range from treatment specialists and experienced general practitioners to less experienced general practitioners. Similarly, when robots are trained to imitate humans in routine tasks, they might learn from individuals with different levels of expertise and efficiency. In this paper, we propose an offline IL approach that leverages the larger set of sub-optimal demonstrations while effectively mimicking expert trajectories. Existing offline IL methods based on behavior cloning or distribution matching often face issues such as overfitting to the limited set of expert demonstrations or inadvertently imitating sub-optimal trajectories from the larger dataset. Our approach, which is based on inverse soft-Q learning, learns from both expert and sub-optimal demonstrations. It assigns higher importance (through learned weights) to aligning with expert demonstrations and lower importance to aligning with sub-optimal ones. A key contribution of our approach, called SPRINQL, is transforming the offline IL problem into a convex optimization over the space of Q functions. Through comprehensive experimental evaluations, we demonstrate that the SPRINQL algorithm achieves state-of-the-art (SOTA) performance on offline IL benchmarks. Code is available at https://github.com/hmhuy0/SPRINQL .
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Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved $\tilde{\mathcal{O}}(1/K)$ convergence rate to the global optimum when the objective function is concave. Our code is released at https://github.com/yukang123/GGDMOptim.git.
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Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. It, however, is challenging as it requires methods to (1) have high expressive power of representing complicated dependencies along the time axis to capture both long-term progression and seasonal patterns, (2) capture the inter-variate dependencies when it is informative, (3) dynamically model the dependencies of variate and time dimensions, and (4) have efficient training and inference for very long sequences. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera, an expressive variation of the 2-dimensional SSMs with careful design of parameters to maintain high expressive power while keeping the training complexity linear. Using two SSM heads with different discretization processes and input-dependent parameters, Chimera is provably able to learn long-term progression, seasonal patterns, and desirable dynamic autoregressive processes. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.
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The exploration-exploitation dilemma has been a central challenge in reinforcement learning (RL) with complex model classes. In this paper, we propose a new algorithm, Monotonic Q-Learning with Upper Confidence Bound (MQL-UCB) for RL with general function approximation. Our key algorithmic design includes (1) a general deterministic policy-switching strategy that achieves low switching cost, (2) a monotonic value function structure with carefully controlled function class complexity, and (3) a variance-weighted regression scheme that exploits historical trajectories with high data efficiency. MQL-UCB achieves minimax optimal regret of $\tilde{O}(d\sqrt{HK})$ when $K$ is sufficiently large and near-optimal policy switching cost of $\tilde{O}(dH)$, with $d$ being the eluder dimension of the function class, $H$ being the planning horizon, and $K$ being the number of episodes. Our work sheds light on designing provably sample-efficient and deployment-efficient Q-learning with nonlinear function approximation.
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Bird's-eye-view (BEV) map layout estimation requires an accurate and full understanding of the semantics for the environmental elements around the ego car to make the results coherent and realistic. Due to the challenges posed by occlusion, unfavourable imaging conditions and low resolution, \emph{generating} the BEV semantic maps corresponding to corrupted or invalid areas in the perspective view (PV) is appealing very recently. \emph{The question is how to align the PV features with the generative models to facilitate the map estimation}. In this paper, we propose to utilize a generative model similar to the Vector Quantized-Variational AutoEncoder (VQ-VAE) to acquire prior knowledge for the high-level BEV semantics in the tokenized discrete space. Thanks to the obtained BEV tokens accompanied with a codebook embedding encapsulating the semantics for different BEV elements in the groundtruth maps, we are able to directly align the sparse backbone image features with the obtained BEV tokens from the discrete representation learning based on a specialized token decoder module, and finally generate high-quality BEV maps with the BEV codebook embedding serving as a bridge between PV and BEV. We evaluate the BEV map layout estimation performance of our model, termed VQ-Map, on both the nuScenes and Argoverse benchmarks, achieving 62.2/47.6 mean IoU for surround-view/monocular evaluation on nuScenes, as well as 73.4 IoU for monocular evaluation on Argoverse, which all set a new record for this map layout estimation task. The code and models are available on \url{https://github.com/Z1zyw/VQ-Map}.
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Heterophily, or the tendency of connected nodes in networks to have different class labels or dissimilar features, has been identified as challenging for many Graph Neural Network (GNN) models. While the challenges of applying GNNs for node classification when class labels display strong heterophily are well understood, it is unclear how heterophily affects GNN performance in other important graph learning tasks where class labels are not available. In this work, we focus on the link prediction task and systematically analyze the impact of heterophily in node features on GNN performance. We first introduce formal definitions of homophilic and heterophilic link prediction tasks, and present a theoretical framework that highlights the different optimizations needed for the respective tasks. We then analyze how different link prediction encoders and decoders adapt to varying levels of feature homophily and introduce designs for improved performance. Based on our definitions, we identify and analyze six real-world benchmarks spanning from homophilic to heterophilic link prediction settings, with graphs containing up to 30M edges. Our empirical analysis on a variety of synthetic and real-world datasets confirms our theoretical insights and highlights the importance of adopting learnable decoders and GNN encoders with ego- and neighbor-embedding separation in message passing for link prediction tasks beyond homophily.
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We develop a neural network architecture which, trained in an unsupervised manner as a denoising diffusion model, simultaneously learns to both generate and segment images. Learning is driven entirely by the denoising diffusion objective, without any annotation or prior knowledge about regions during training. A computational bottleneck, built into the neural architecture, encourages the denoising network to partition an input into regions, denoise them in parallel, and combine the results. Our trained model generates both synthetic images and, by simple examination of its internal predicted partitions, semantic segmentations of those images. Without fine-tuning, we directly apply our unsupervised model to the downstream task of segmenting real images via noising and subsequently denoising them. Experiments demonstrate that our model achieves accurate unsupervised image segmentation and high-quality synthetic image generation across multiple datasets.
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Time-varying linear state-space models are powerful tools for obtaining mathematically interpretable representations of neural signals. For example, switching and decomposed models describe complex systems using latent variables that evolve according to simple locally linear dynamics. However, existing methods for latent variable estimation are not robust to dynamical noise and system nonlinearity due to noise-sensitive inference procedures and limited model formulations. This can lead to inconsistent results on signals with similar dynamics, limiting the model's ability to provide scientific insight. In this work, we address these limitations and propose a probabilistic approach to latent variable estimation in decomposed models that improves robustness against dynamical noise. Additionally, we introduce an extended latent dynamics model to improve robustness against system nonlinearities. We evaluate our approach on several synthetic dynamical systems, including an empirically-derived brain-computer interface experiment, and demonstrate more accurate latent variable inference in nonlinear systems with diverse noise conditions. Furthermore, we apply our method to a real-world clinical neurophysiology dataset, illustrating the ability to identify interpretable and coherent structure where previous models cannot.
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We consider learning a sparse model from linear measurements taken by a network of agents. Different from existing decentralized methods designed based on the LASSO regression with explicit $\ell_1$ norm regularization, we exploit the implicit regularization of decentralized optimization method applied to an over-parameterized nonconvex least squares formulation without penalization. Our first result shows that despite nonconvexity, if the network connectivity is good, the well-known decentralized gradient descent algorithm (DGD) with small initialization and early stopping can compute the statistically optimal solution. Sufficient conditions on the initialization scale, choice of step size, network connectivity, and stopping time are further provided to achieve convergence. Our result recovers the convergence rate of gradient descent in the centralized setting, showing its tightness. Based on the analysis of DGD, we further propose a communication-efficient version, termed T-DGD, by truncating the iterates before transmission. In the high signal-to-noise ratio (SNR) regime, we show that T-DGD achieves comparable statistical accuracy to DGD, while the communication cost is logarithmic in the number of parameters. Numerical results are provided to validate the effectiveness of DGD and T-DGD for sparse learning through implicit regularization.
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To reduce the communication cost of differential privacy mechanisms, we introduce a novel construction, called Poisson private representation (PPR), designed to compress and simulate any local randomizer while ensuring local differential privacy. Unlike previous simulation-based local differential privacy mechanisms, PPR exactly preserves the joint distribution of the data and the output of the original local randomizer. Hence, the PPR-compressed privacy mechanism retains all desirable statistical properties of the original privacy mechanism such as unbiasedness and Gaussianity. Moreover, PPR achieves a compression size within a logarithmic gap from the theoretical lower bound. Using the PPR, we give a new order-wise trade-off between communication, accuracy, central and local differential privacy for distributed mean estimation. Experiment results on distributed mean estimation show that PPR consistently gives a better trade-off between communication, accuracy and central differential privacy compared to the coordinate subsampled Gaussian mechanism, while also providing local differential privacy.
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When training node embedding models to represent large directed graphs (digraphs), it is impossible to observe all entries of the adjacency matrix during training. As a consequence most methods employ sampling. For very large digraphs, however, this means many (most) entries may be unobserved during training. In general, observing every entry would be necessary to uniquely identify a graph, however if we know the graph has a certain property some entries can be omitted - for example, only half the entries would be required for a symmetric graph. In this work, we develop a novel framework to identify a subset of entries required to uniquely distinguish a graph among all transitively-closed DAGs. We give an explicit algorithm to compute the provably minimal set of entries, and demonstrate empirically that one can train node embedding models with greater efficiency and performance, provided the energy function has an appropriate inductive bias. We achieve robust performance on synthetic hierarchies and a larger real-world taxonomy, observing improved convergence rates in a resource-constrained setting while reducing the set of training examples by as much as 99%.
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Semi-supervised learning (SSL) offers a robust framework for harnessing the potential of unannotated data. Traditionally, SSL mandates that all classes possess labeled instances. However, the emergence of open-world SSL (OwSSL) introduces a more practical challenge, wherein unlabeled data may encompass samples from unseen classes. This scenario leads to misclassification of unseen classes as known ones, consequently undermining classification accuracy. To overcome this challenge, this study revisits two methodologies from self-supervised and semi-supervised learning, self-labeling and consistency, tailoring them to address the OwSSL problem. Specifically, we propose an effective framework called _OwMatch_, combining conditional self-labeling and open-world hierarchical thresholding. Theoretically, we analyze the estimation of class distribution on unlabeled data through rigorous statistical analysis, thus demonstrating that OwMatch can ensure the unbiasedness of the label assignment estimator with reliability. Comprehensive empirical analyses demonstrate that our method yields substantial performance enhancements across both known and unknown classes in comparison to previous studies. Code is available at [https://github.com/niusj03/OwMatch](https://github.com/niusj03/OwMatch).
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We consider a dynamic mechanism design problem where an auctioneer sells an indivisible good to two groups of buyers in every round, for a total of $T$ rounds. The auctioneer aims to maximize their discounted overall revenue while adhering to a fairness constraint that guarantees a minimum average allocation for each group. We begin by studying the static case ($T=1$) and establish that the optimal mechanism involves two types of subsidization: one that increases the overall probability of allocation to all buyers, and another that favors the group which otherwise has a lower probability of winning the item. We then extend our results to the dynamic case by characterizing a set of recursive functions that determine the optimal allocation and payments in each round. Notably, our results establish that in the dynamic case, the seller, on one hand, commits to a participation reward to incentivize truth-telling, and, on the other hand, charges an entry fee for every round. Moreover, the optimal allocation once more involves subsidization in favor of one group, where the extent of subsidization depends on the difference in future utilities for both the seller and buyers when allocating the item to one group versus the other. Finally, we present an approximation scheme to solve the recursive equations and determine an approximately optimal and fair allocation efficiently.
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A single-index model (SIM) is a function of the form $\sigma(\mathbf{w}^{\ast} \cdot \mathbf{x})$, where $\sigma: \mathbb{R} \to \mathbb{R}$ is a known link function and $\mathbf{w}^{\ast}$ is a hidden unit vector. We study the task of learning SIMs in the agnostic (a.k.a. adversarial label noise) model with respect to the $L^2_2$-loss under the Gaussian distribution. Our main result is a sample and computationally efficient agnostic proper learner that attains $L^2_2$-error of $O(\mathrm{OPT})+\epsilon$, where $\mathrm{OPT}$ is the optimal loss. The sample complexity of our algorithm is $\tilde{O}(d^{\lceil k^{\ast}/2\rceil}+d/\epsilon)$, where $k^{\ast}$ is the information-exponent of $\sigma$ corresponding to the degree of its first non-zero Hermite coefficient. This sample bound nearly matches known CSQ lower bounds, even in the realizable setting. Prior algorithmic work in this setting had focused on learning in the realizable case or in the presence of semi-random noise. Prior computationally efficient robust learners required significantly stronger assumptions on the link function.
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Language models (LMs) only pretrained on a general and massive corpus usually cannot attain satisfying performance on domain-specific downstream tasks, and hence, applying domain-specific pretraining to LMs is a common and indispensable practice. However, domain-specific pretraining can be costly and time-consuming, hindering LMs' deployment in real-world applications. In this work, we consider the incapability to memorize domain-specific knowledge embedded in the general corpus with rare occurrences and long-tail distributions as the leading cause for pretrained LMs' inferior downstream performance. Analysis of Neural Tangent Kernels (NTKs) reveals that those long-tail data are commonly overlooked in the model's gradient updates and, consequently, are not effectively memorized, leading to poor domain-specific downstream performance. Based on the intuition that data with similar semantic meaning are closer in the embedding space, we devise a Cluster-guided Sparse Expert (CSE) layer to actively learn long-tail domain knowledge typically neglected in previous pretrained LMs. During pretraining, a CSE layer efficiently clusters domain knowledge together and assigns long-tail knowledge to designate extra experts. CSE is also a lightweight structure that only needs to be incorporated in several deep layers. With our training strategy, we found that during pretraining, data of long-tail knowledge gradually formulate isolated, outlier clusters in an LM's representation spaces, especially in deeper layers. Our experimental results show that only pretraining CSE-based LMs is enough to achieve superior performance than regularly pretrained-finetuned LMs on various downstream tasks, implying the prospects of domain-specific-pretraining-free language models.
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Vision-Language Models (VLMs) excel in generating textual responses from visual inputs, but their versatility raises security concerns. This study takes the first step in exposing VLMs’ susceptibility to data poisoning attacks that can manipulate responses to innocuous, everyday prompts. We introduce Shadowcast, a stealthy data poisoning attack where poison samples are visually indistinguishable from benign images with matching texts. Shadowcast demonstrates effectiveness in two attack types. The first is a traditional Label Attack, tricking VLMs into misidentifying class labels, such as confusing Donald Trump for Joe Biden. The second is a novel Persuasion Attack, leveraging VLMs’ text generation capabilities to craft persuasive and seemingly rational narratives for misinformation, such as portraying junk food as healthy. We show that Shadowcast effectively achieves the attacker’s intentions using as few as 50 poison samples. Crucially, the poisoned samples demonstrate transferability across different VLM architectures, posing a significant concern in black-box settings. Moreover, Shadowcast remains potent under realistic conditions involving various text prompts, training data augmentation, and image compression techniques. This work reveals how poisoned VLMs can disseminate convincing yet deceptive misinformation to everyday, benign users, emphasizing the importance of data integrity for responsible VLM deployments. Our code is available at: https://github.com/umd-huang-lab/VLM-Poisoning.
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Multi-instance partial-label learning (MIPL) is an emerging learning framework where each training sample is represented as a multi-instance bag associated with a candidate label set. Existing MIPL algorithms often overlook the margins for attention scores and predicted probabilities, leading to suboptimal generalization performance. A critical issue with these algorithms is that the highest prediction probability of the classifier may appear on a non-candidate label. In this paper, we propose an algorithm named MIPLMA, i.e., Multi-Instance Partial-Label learning with Margin Adjustment, which adjusts the margins for attention scores and predicted probabilities. We introduce a margin-aware attention mechanism to dynamically adjust the margins for attention scores and propose a margin distribution loss to constrain the margins between the predicted probabilities on candidate and non-candidate label sets. Experimental results demonstrate the superior performance of MIPLMA over existing MIPL algorithms, as well as other well-established multi-instance learning algorithms and partial-label learning algorithms.
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Antibody design, a crucial task with significant implications across various disciplines such as therapeutics and biology, presents considerable challenges due to its intricate nature. In this paper, we tackle antigen-specific antibody sequence-structure co-design as an optimization problem towards specific preferences, considering both rationality and functionality. Leveraging a pre-trained conditional diffusion model that jointly models sequences and structures of antibodies with equivariant neural networks, we propose direct energy-based preference optimization to guide the generation of antibodies with both rational structures and considerable binding affinities to given antigens. Our method involves fine-tuning the pre-trained diffusion model using a residue-level decomposed energy preference. Additionally, we employ gradient surgery to address conflicts between various types of energy, such as attraction and repulsion. Experiments on RAbD benchmark show that our approach effectively optimizes the energy of generated antibodies and achieves state-of-the-art performance in designing high-quality antibodies with low total energy and high binding affinity simultaneously, demonstrating the superiority of our approach.
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Deep learning has achieved tremendous success. However, unlike SVMs, which provide direct decision criteria and can be trained with a small dataset, it still has significant weaknesses due to its requirement for massive datasets during training and the black-box characteristics on decision criteria. This paper addresses these issues by identifying support vectors in deep learning models. To this end, we propose the DeepKKT condition, an adaptation of the traditional Karush-Kuhn-Tucker (KKT) condition for deep learning models, and confirm that generated Deep Support Vectors (DSVs) using this condition exhibit properties similar to traditional support vectors. This allows us to apply our method to few-shot dataset distillation problems and alleviate the black-box characteristics of deep learning models. Additionally, we demonstrate that the DeepKKT condition can transform conventional classification models into generative models with high fidelity, particularly as latent generation models using class labels as latent variables. We validate the effectiveness of DSVs using common datasets (ImageNet, CIFAR10 and CIFAR100) on the general architectures (ResNet and ConvNet), proving their practical applicability.
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Due to the recent remarkable advances in artificial intelligence, researchers have begun to consider challenging learning problems such as learning to generalize behavior from large offline datasets or learning online in non-Markovian environments. Meanwhile, recent advances in both of these areas have increasingly relied on conditioning policies on large context lengths. A natural question is if there is a limit to the performance benefits of increasing the context length if the computation needed is available. In this work, we establish a novel theoretical result that links the context length of a policy to the time needed to reliably evaluate its performance (i.e., its mixing time) in large scale partially observable reinforcement learning environments that exhibit latent sub-task structure. This analysis underscores a key tradeoff: when we extend the context length, our policy can more effectively model non-Markovian dependencies, but this comes at the cost of potentially slower policy evaluation and as a result slower downstream learning. Moreover, our empirical results highlight the relevance of this analysis when leveraging Transformer based neural networks. This perspective will become increasingly pertinent as the field scales towards larger and more realistic environments, opening up a number of potential future directions for improving the way we design learning agents.
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In software development, resolving the emergent issues within GitHub repositories is a complex challenge that involves not only the incorporation of new code but also the maintenance of existing code. Large Language Models (LLMs) have shown promise in code generation but face difficulties in resolving Github issues, particularly at the repository level. To overcome this challenge, we empirically study the reason why LLMs fail to resolve GitHub issues and analyze the major factors. Motivated by the empirical findings, we propose a novel LLM-based **M**ulti-**A**gent framework for **G**itHub **I**ssue re**S**olution, **MAGIS**, consisting of four agents customized for software evolution: Manager, Repository Custodian, Developer, and Quality Assurance Engineer agents. This framework leverages the collaboration of various agents in the planning and coding process to unlock the potential of LLMs to resolve GitHub issues. In experiments, we employ the SWE-bench benchmark to compare MAGIS with popular LLMs, including GPT-3.5, GPT-4, and Claude-2. MAGIS can resolve **13.94%** GitHub issues, significantly outperforming the baselines. Specifically, MAGIS achieves an eight-fold increase in resolved ratio over the direct application of GPT-4, the advanced LLM.
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Large Language Model (LLM) inference on Central Processing Units (CPU) is challenging due to the vast quantities of Multiply-Add (MAD) matrix operations in the attention computations. This paper highlights a rare gem in modern CPUs, Single-Instruction-Multiple-Data (SIMD) registers, which allows for ultra-low-latency lookups in a batch. We leverage this unique capability to propose NoMAD-Attention, an efficient attention algorithm that replaces MAD operations with in-register lookups. Through hardware-aware algorithmic designs, NoMAD-Attention achieves the computation of attention scores using repeated fast accesses to SIMD registers. NoMAD-Attention works with pre-trained attention-based LLMs without model finetuning. Extensive empirical evaluations demonstrate that NoMAD-Attention maintains the quality of the original LLMs well and speeds up the 4-bit quantized LLaMA-7B-based model by up to $2 \times$ at 16k context length.
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Parametric dimensionality reduction methods have gained prominence for their ability to generalize to unseen datasets, an advantage that traditional non-parametric approaches typically lack. Despite their growing popularity, there remains a prevalent misconception among practitioners about the equivalence in performance between parametric and non-parametric methods. Here, we show that these methods are not equivalent -- parametric methods retain global structure but lose significant local details. To explain this, we provide evidence that parameterized approaches lack the ability to repulse negative samples, and the choice of loss function also has an impact. Addressing these issues, we developed a new parametric method, ParamRepulsor, that incorporates Hard Negative Mining and a loss function that applies a strong repulsive force. This new method achieves state-of-the-art performance on local structure preservation for parametric methods without sacrificing the fidelity of global structural representation. Our code is available at https://github.com/hyhuang00/ParamRepulsor.
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Direct Preference Optimization (DPO) has emerged as a compelling approach for training Large Language Models (LLMs) to adhere to human preferences. However, the performance of DPO is sensitive to the fine-tuning of its trade-off parameter $\beta$, as well as to the quality of the preference data. We analyze the impact of $\beta$ and data quality on DPO, uncovering that optimal $\beta$ values vary with the informativeness of pairwise data. Addressing the limitations of static $\beta$ values, we introduce a novel framework that dynamically calibrates $\beta$ at the batch level, informed by data quality considerations. Additionally, our method incorporates $\beta$-guided data filtering to safeguard against the influence of outliers. Through empirical evaluation, we demonstrate that our dynamic $\beta$ adjustment technique significantly improves DPO’s performance across a range of models and datasets, offering a more robust and adaptable training paradigm for aligning LLMs with human feedback. The code is available at \url{https://anonymous.4open.science/r/beta-DPO-EE6C}.
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Safety of Large Language Models (LLMs) has become a central issue given their rapid progress and wide applications. Greedy Coordinate Gradient (GCG) is shown to be effective in constructing prompts containing adversarial suffixes to break the presumingly safe LLMs, but the optimization of GCG is time-consuming and limits its practicality. To reduce the time cost of GCG and enable more comprehensive studies of LLM safety, in this work, we study a new algorithm called $\texttt{Probe sampling}$ to accelerate the GCG algorithm. At the core of the algorithm is a mechanism that dynamically determines how similar a smaller draft model's predictions are to the target model's predictions for prompt candidates. When the target model is similar to the draft model, we rely heavily on the draft model to filter out a large number of potential prompt candidates to reduce the computation time. Probe sampling achieves up to $5.6$ times speedup using Llama2-7b-chat and leads to equal or improved attack success rate (ASR) on the AdvBench. Furthermore, probe sampling is also able to accelerate other prompt optimization techniques and adversarial attack methods, leading to acceleration of $1.8\times$ for AutoPrompt, $2.4\times$ for APE and $2.4\times$ for AutoDAN.
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Multi-Channel Imaging (MCI) contains an array of challenges for encoding useful feature representations not present in traditional images. For example, images from two different satellites may both contain RGB channels, but the remaining channels can be different for each imaging source. Thus, MCI models must support a variety of channel configurations at test time. Recent work has extended traditional visual encoders for MCI, such as Vision Transformers (ViT), by supplementing pixel information with an encoding representing the channel configuration. However, these methods treat each channel equally, i.e., they do not consider the unique properties of each channel type, which can result in needless and potentially harmful redundancies in the learned features. For example, if RGB channels are always present, the other channels can focus on extracting information that cannot be captured by the RGB channels. To this end, we propose DiChaViT, which aims to enhance the diversity in the learned features of MCI-ViT models. This is achieved through a novel channel sampling strategy that encourages the selection of more distinct channel sets for training. Additionally, we employ regularization and initialization techniques to increase the likelihood that new information is learned from each channel. Many of our improvements are architecture agnostic and can be incorporated into new architectures as they are developed. Experiments on both satellite and cell microscopy datasets, CHAMMI, JUMP-CP, and So2Sat, report DiChaViT yields a 1.5 - 5.0% gain over the state-of-the-art. Our code is publicly available at https://github.com/chaudatascience/diverse_channel_vit.
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Multivariate time series forecasting plays a crucial role in various fields such as finance, traffic management, energy, and healthcare. Recent studies have highlighted the advantages of channel independence to resist distribution drift but neglect channel correlations, limiting further enhancements. Several methods utilize mechanisms like attention or mixer to address this by capturing channel correlations, but they either introduce excessive complexity or rely too heavily on the correlation to achieve satisfactory results under distribution drifts, particularly with a large number of channels. Addressing this gap, this paper presents an efficient MLP-based model, the Series-cOre Fused Time Series forecaster (SOFTS), which incorporates a novel STar Aggregate-Redistribute (STAR) module. Unlike traditional approaches that manage channel interactions through distributed structures, \textit{e.g.}, attention, STAR employs a centralized strategy to improve efficiency and reduce reliance on the quality of each channel. It aggregates all series to form a global core representation, which is then dispatched and fused with individual series representations to facilitate channel interactions effectively. SOFTS achieves superior performance over existing state-of-the-art methods with only linear complexity. The broad applicability of the STAR module across different forecasting models is also demonstrated empirically. We have made our code publicly available at https://github.com/Secilia-Cxy/SOFTS.
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Neural Control Barrier Functions (NCBFs) have shown significant promise in enforcing safety constraints on nonlinear autonomous systems. State-of-the-art exact approaches to verifying safety of NCBF-based controllers exploit the piecewise-linear structure of ReLU neural networks, however, such approaches still rely on enumerating all of the activation regions of the network near the safety boundary, thus incurring high computation cost. In this paper, we propose a framework for Synthesis with Efficient Exact Verification (SEEV). Our framework consists of two components, namely (i) an NCBF synthesis algorithm that introduces a novel regularizer to reduce the number of activation regions at the safety boundary, and (ii) a verification algorithm that exploits tight over-approximations of the safety conditions to reduce the cost of verifying each piecewise-linear segment. Our simulations show that SEEV significantly improves verification efficiency while maintaining the CBF quality across various benchmark systems and neural network structures. Our code is available at https://github.com/HongchaoZhang-HZ/SEEV.
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Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to improve their reasoning capabilities on complex tasks. This enables them to act as intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2023] utilizes the depth-first search-based decision tree (DFSDT) mechanism for multi-step reasoning with $16000+$ real-world APIs, effectively enhancing the performance of tool-augmented LLMs compared to traditional chain reasoning mechanisms. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT), missing out on the potential learning opportunities from failed paths. Inspired by this, we propose an inference trajectory optimization framework based on preference learning to address this limitation. We first introduce a novel method for constructing preference data from tree-like expert trajectories, which leverages the previously ignored failed explorations in the decision trees. Specifically, we generate a step-wise preference dataset, ToolPreference, from the ToolBench dataset for tool learning. In the subsequent training phase, we first fine-tune the LLM with successful tool-usage expert trajectories and then apply direct preference optimization (DPO) with ToolPreference to update the LLM's policy, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. This approach not only enhances the utilization of original expert data but also broadens the learning space of the model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.
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Interest in bilevel optimization has grown in recent years, partially due to its relevance for challenging machine-learning problems. Several exciting recent works have been centered around developing efficient gradient-based algorithms that can solve bilevel optimization problems with provable guarantees. However, the existing literature mainly focuses on bilevel problems either without constraints, or featuring only simple constraints that do not couple variables across the upper and lower levels, excluding a range of complex applications. Our paper studies this challenging but less explored scenario and develops a (fully) first-order algorithm, which we term BLOCC, to tackle BiLevel Optimization problems with Coupled Constraints. We establish rigorous convergence theory for the proposed algorithm and demonstrate its effectiveness on two well-known real-world applications - support vector machine (SVM) - based model training and infrastructure planning in transportation networks.
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This work presents a novel approach to neural architecture search (NAS) that aims to increase carbon efficiency for the model design process. The proposed framework CE-NAS addresses the key challenge of high carbon cost associated with NAS by exploring the carbon emission variations of energy and energy differences of different NAS algorithms. At the high level, CE-NAS leverages a reinforcement-learning agent to dynamically adjust GPU resources based on carbon intensity, predicted by a time-series transformer, to balance energy-efficient sampling and energy-intensive evaluation tasks. Furthermore, CE-NAS leverages a recently proposed multi-objective optimizer to effectively reduce the NAS search space. We demonstrate the efficacy of CE-NAS in lowering carbon emissions while achieving SOTA results for both NAS datasets and open-domain NAS tasks. For example, on the HW-NasBench dataset, CE-NAS reduces carbon emissions by up to 7.22X while maintaining a search efficiency comparable to vanilla NAS. For open-domain NAS tasks, CE-NAS achieves SOTA results with 97.35% top-1 accuracy on CIFAR-10 with only 1.68M parameters and a carbon consumption of 38.53 lbs of CO2. On ImageNet, our searched model achieves 80.6% top-1 accuracy with a 0.78 ms TensorRT latency using FP16 on NVIDIA V100, consuming only 909.86 lbs of CO2, making it comparable to other one-shot-based NAS baselines. Our code is available at https://github.com/cake-lab/CE-NAS.
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This paper examines the issue of fairness in the estimation of graphical models (GMs), particularly Gaussian, Covariance, and Ising models. These models play a vital role in understanding complex relationships in high-dimensional data. However, standard GMs can result in biased outcomes, especially when the underlying data involves sensitive characteristics or protected groups. To address this, we introduce a comprehensive framework designed to reduce bias in the estimation of GMs related to protected attributes. Our approach involves the integration of the pairwise graph disparity error and a tailored loss function into a nonsmooth multi-objective optimization problem, striving to achieve fairness across different sensitive groups while maintaining the effectiveness of the GMs. Experimental evaluations on synthetic and real-world datasets demonstrate that our framework effectively mitigates bias without undermining GMs' performance.
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Mixture-of-Experts (MoE) models have recently gained steam in achieving the state-of-the-art performance in a wide range of tasks in computer vision and natural language processing. They effectively expand the model capacity while incurring a minimal increase in computation cost during training. However, deploying such models for inference is difficult due to their large model size and complex communication pattern. In this work, we provide a characterization of two MoE workloads, namely Language Modeling (LM) and Machine Translation (MT) and identify their sources of inefficiencies at deployment. We propose three optimization techniques to mitigate sources of inefficiencies, namely (1) Dynamic gating, (2) Expert Buffering, and (3) Expert load balancing. We show that dynamic gating improves maximum throughput by 6.21-11.55$\times$ for LM, 5.75-10.98$\times$ for MT Encoder and 2.58-5.71$\times$ for MT Decoder. It also reduces memory usage by up to 1.36$\times$ for LM and up to 1.1$\times$ for MT. We further propose Expert Buffering, a new caching mechanism that only keeps hot, active experts in GPU memory while buffering the rest in CPU memory. This reduces static memory allocation by 1.47$\times$. Finally, we propose a load balancing methodology that provides additional robustness to the workload. Our code is available at https://github.com/hyhuang00/moe_inference.
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Efficient deployment of Large Language Models (LLMs) requires batching multiple requests together to improve throughput. As batch size, context length, or model size increases, the size of key and value (KV) cache quickly becomes the main contributor to GPU memory usage and the bottleneck of inference latency and throughput. Quantization has emerged as an effective technique for KV cache compression, but existing methods still fail at very low bit widths. Currently, KV cache quantization is performed per-channel or per-token independently. Our analysis shows that distinct channels of a key/value activation embedding are highly interdependent, and the joint entropy of multiple channels grows at a slower rate than the sum of their marginal entropy, which implies that per-channel independent quantization is sub-optimal. To mitigate this sub-optimality, we propose Coupled Quantization (CQ), which couples multiple key/value channels together for quantization to exploit their interdependence and encode the activations in a more information-efficient manner. Extensive experiments reveal that CQ compares favorably with existing baselines in preserving model quality, and improves inference throughput by 1.4–3.5$\times$ relative to the uncompressed baseline. Furthermore, we demonstrate that CQ can preserve model quality reasonably with KV cache quantized down to 1 bit.
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Due to the increasing popularity of Artificial Intelligence (AI), more and more backdoor attacks are designed to mislead Deep Neural Network (DNN) predictions by manipulating training samples or processes. Although backdoor attacks have been investigated in various scenarios, they still suffer from the problems of both low fidelity of poisoned samples and non-negligible transfer in latent space, which make them easily identified by existing backdoor detection algorithms. To overcome this weakness, this paper proposes a novel frequency-based backdoor attack method named WaveAttack, which obtains high-frequency image features through Discrete Wavelet Transform (DWT) to generate highly stealthy backdoor triggers. By introducing an asymmetric frequency obfuscation method, our approach adds an adaptive residual to the training and inference stages to improve the impact of triggers, thus further enhancing the effectiveness of WaveAttack. Comprehensive experimental results show that, WaveAttack can not only achieve higher effectiveness than state-of-the-art backdoor attack methods, but also outperform them in the fidelity of images (i.e., by up to 28.27\% improvement in PSNR, 1.61\% improvement in SSIM, and 70.59\% reduction in IS). Our code is available at https://github.com/BililiCode/WaveAttack.
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3D Gaussian Splatting has shown fast and high-quality rendering results in static scenes by leveraging dense 3D prior and explicit representations. Unfortunately, the benefits of the prior and representation do not involve novel view synthesis for dynamic motions. Ironically, this is because the main barrier is the reliance on them, which requires increasing training and rendering times to account for dynamic motions. In this paper, we design Explicit 4D Gaussian Splatting (Ex4DGS). Our key idea is to firstly separate static and dynamic Gaussians during training, and to explicitly sample positions and rotations of the dynamic Gaussians at sparse timestamps. The sampled positions and rotations are then interpolated to represent both spatially and temporally continuous motions of objects in dynamic scenes as well as reducing computational cost. Additionally, we introduce a progressive training scheme and a point-backtracking technique that improves Ex4DGS's convergence. We initially train Ex4DGS using short timestamps and progressively extend timestamps, which makes it work well with a few point clouds. The point-backtracking is used to quantify the cumulative error of each Gaussian over time, enabling the detection and removal of erroneous Gaussians in dynamic scenes. Comprehensive experiments on various scenes demonstrate the state-of-the-art rendering quality from our method, achieving fast rendering of 62 fps on a single 2080Ti GPU.
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Learning complex physical dynamics purely from data is challenging due to the intrinsic properties of systems to be satisfied. Incorporating physics-informed priors, such as in Hamiltonian Neural Networks (HNNs), achieves high-precision modeling for energy-conservative systems. However, real-world systems often deviate from strict energy conservation and follow different physical priors. To address this, we present a framework that achieves high-precision modeling for a wide range of dynamical systems from the numerical aspect, by enforcing Time-Reversal Symmetry (TRS) via a novel regularization term. It helps preserve energies for conservative systems while serving as a strong inductive bias for non-conservative, reversible systems. While TRS is a domain-specific physical prior, we present the first theoretical proof that TRS loss can universally improve modeling accuracy by minimizing higher-order Taylor terms in ODE integration, which is numerically beneficial to various systems regardless of their properties, even for irreversible systems. By integrating the TRS loss within neural ordinary differential equation models, the proposed model TREAT demonstrates superior performance on diverse physical systems. It achieves a significant 11.5% MSE improvement in a challenging chaotic triple-pendulum scenario, underscoring TREAT’s broad applicability and effectiveness.
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The softmax function is ubiquitous in machine learning and optimization applications. Computing the full softmax evaluation of a matrix-vector product can be computationally expensive in high-dimensional settings. In many applications, however, it is sufficient to calculate only the top few outputs of the softmax function. In this work, we present an algorithm, dubbed AdaptiveSoftmax, that adaptively computes the top k softmax values more efficiently than the full softmax computation, with probabilistic guarantees. We demonstrate the sample efficiency improvements afforded by AdaptiveSoftmax on real and synthetic data to corroborate our theoretical results. AdaptiveSoftmax yields >10x gain over full softmax computation on most datasets, yielding up to 30x improvement for Mistral7B evaluated on the Wikitext dataset. The adaptive method we propose for estimating the partition function (the softmax denominator) is of independent interest and can be used in other applications such as kernel density estimation.
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Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural design and lack of supervision, PLMs model mutations implicitly with evolutionary plausibility, which is not satisfactory to serve as explainable and engineerable tools in real-world studies. To address these issues, we present MutaPLM, a unified framework for interpreting and navigating protein mutations with protein language models. MutaPLM introduces a protein *delta* network that captures explicit protein mutation representations within a unified feature space, and a transfer learning pipeline with a chain-of-thought (CoT) strategy to harvest protein mutation knowledge from biomedical texts. We also construct MutaDescribe, the first large-scale protein mutation dataset with rich textual annotations, which provides cross-modal supervision signals. Through comprehensive experiments, we demonstrate that MutaPLM excels at providing human-understandable explanations for mutational effects and prioritizing novel mutations with desirable properties. Our code, model, and data are open-sourced at https://github.com/PharMolix/MutaPLM.
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Introduced to enhance the efficiency of large language model (LLM) inference, speculative decoding operates by having a smaller model generate a draft. A larger target model then reviews this draft to align with its output, and any acceptance by the target model results in a reduction of the number of the target model runs, ultimately improving efficiency. However, the drafting process in speculative decoding includes slow autoregressive generation and allocates equal time to generating tokens, irrespective of their importance. These inefficiencies collectively contribute to the suboptimal performance of speculative decoding. To further improve LLM inference, we introduce Cascade Speculative Drafting (CS Drafting), a speculative execution algorithm that incorporates two types of cascades. The *Vertical Cascade* eliminates autoregressive generation from neural models, while the *Horizontal Cascade* optimizes time allocation in drafting for improved efficiency. Combining both cascades, CS Drafting achieves greater speedup compared to the baselines in our experiments, while preserving the same output distribution as the target model. Our code is publicly available at https://github.com/lfsszd/CS-Drafting.
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The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher depth increases expressivity, but also results in a detrimental accumulation of errors. Furthermore, the number of parameters involved in the PQC significantly influences the performance through the necessary number of measurements to evaluate gradients, which scales linearly with the number of parameters. Motivated by this, we look at deep equilibrium models (DEQs), which mimic an infinite-depth, weight-tied network using a fraction of the memory by employing a root solver to find the fixed points of the network. In this work, we present Quantum Deep Equilibrium Models (QDEQs): a training paradigm that learns parameters of a quantum machine learning model given by a PQC using DEQs. To our knowledge, no work has yet explored the application of DEQs to QML models. We apply QDEQs to find the parameters of a quantum circuit in two settings: the first involves classifying MNIST-4 digits with 4 qubits; the second extends it to 10 classes of MNIST, FashionMNIST and CIFAR. We find that QDEQ is not only competitive with comparable existing baseline models, but also achieves higher performance than a network with 5 times more layers. This demonstrates that the QDEQ paradigm can be used to develop significantly more shallow quantum circuits for a given task, something which is essential for the utility of near-term quantum computers. Our code is available at \url{https://github.com/martaskrt/qdeq}.
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Accurately restoring topology is both challenging and crucial in tubular structure extraction tasks, such as blood vessel segmentation and road network extraction. Diverging from traditional approaches based on pixel-level classification, our proposed method, named GraphMorph, focuses on branch-level features of tubular structures to achieve more topologically accurate predictions. GraphMorph comprises two main components: a Graph Decoder and a Morph Module. Utilizing multi-scale features extracted from an image patch by the segmentation network, the Graph Decoder facilitates the learning of branch-level features and generates a graph that accurately represents the tubular structure in this patch. The Morph Module processes two primary inputs: the graph and the centerline probability map, provided by the Graph Decoder and the segmentation network, respectively. Employing a novel SkeletonDijkstra algorithm, the Morph Module produces a centerline mask that aligns with the predicted graph. Furthermore, we observe that employing centerline masks predicted by GraphMorph significantly reduces false positives in the segmentation task, which is achieved by a simple yet effective post-processing strategy. The efficacy of our method in the centerline extraction and segmentation tasks has been substantiated through experimental evaluations across various datasets. Source code will be released soon.
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In the realm of daily services, the deployment of deep neural networks underscores the paramount importance of their reliability. However, the vulnerability of these networks to adversarial attacks, primarily evasion-based, poses a concerning threat to their functionality. Common methods for enhancing robustness involve heavy adversarial training or leveraging learned knowledge from clean data, both necessitating substantial computational resources. This inherent time-intensive nature severely limits the agility of large foundational models to swiftly counter adversarial perturbations. To address this challenge, this paper focuses on the \textbf{Ra}pid \textbf{P}lug-\textbf{i}n \textbf{D}efender (\textbf{RaPiD}) problem, aiming to rapidly counter adversarial perturbations without altering the deployed model. Drawing inspiration from the generalization and the universal computation ability of pre-trained transformer models, we propose a novel method termed \textbf{CeTaD} (\textbf{C}onsidering Pr\textbf{e}-trained \textbf{T}ransformers \textbf{a}s \textbf{D}efenders) for RaPiD, optimized for efficient computation. \textbf{CeTaD} strategically fine-tunes the normalization layer parameters within the defender using a limited set of clean and adversarial examples. Our evaluation centers on assessing \textbf{CeTaD}'s effectiveness, transferability, and the impact of different components in scenarios involving one-shot adversarial examples. The proposed method is capable of rapidly adapting to various attacks and different application scenarios without altering the target model and clean training data. We also explore the influence of varying training data conditions on \textbf{CeTaD}'s performance. Notably, \textbf{CeTaD} exhibits adaptability across differentiable service models and proves the potential of continuous learning.
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Distributed learning is essential for training large-scale deep models. Asynchronous SGD (ASGD) and its variants are commonly used distributed learning methods, particularly in scenarios where the computing capabilities of workers in the cluster are heterogeneous. Momentum has been acknowledged for its benefits in both optimization and generalization in deep model training. However, existing works have found that naively incorporating momentum into ASGD can impede the convergence. In this paper, we propose a novel method called ordered momentum (OrMo) for ASGD. In OrMo, momentum is incorporated into ASGD by organizing the gradients in order based on their iteration indexes. We theoretically prove the convergence of OrMo with both constant and delay-adaptive learning rates for non-convex problems. To the best of our knowledge, this is the first work to establish the convergence analysis of ASGD with momentum without dependence on the maximum delay. Empirical results demonstrate that OrMo can achieve better convergence performance compared with ASGD and other asynchronous methods with momentum.
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An important line of research in the field of explainability is to extract a small subset of crucial rationales from the full input. The most widely used criterion for rationale extraction is the maximum mutual information (MMI) criterion. However, in certain datasets, there are spurious features non-causally correlated with the label and also get high mutual information, complicating the loss landscape of MMI. Although some penalty-based methods have been developed to penalize the spurious features (e.g., invariance penalty, intervention penalty, etc) to help MMI work better, these are merely remedial measures. In the optimization objectives of these methods, spurious features are still distinguished from plain noise, which hinders the discovery of causal rationales. This paper aims to develop a new criterion that treats spurious features as plain noise, allowing the model to work on datasets rich in spurious features as if it were working on clean datasets, thereby making rationale extraction easier. We theoretically observe that removing either plain noise or spurious features from the input does not alter the conditional distribution of the remaining components relative to the task label. However, significant changes in the conditional distribution occur only when causal features are eliminated. Based on this discovery, the paper proposes a criterion for \textbf{M}aximizing the \textbf{R}emaining \textbf{D}iscrepancy (MRD). Experiments on six widely used datasets show that our MRD criterion improves rationale quality (measured by the overlap with human-annotated rationales) by up to $10.4\%$ as compared to several recent competitive MMI variants. Code: \url{https://github.com/jugechengzi/Rationalization-MRD}.
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Many recent state-of-the-art results in language tasks were achieved using compound systems that perform multiple Language Model (LM) calls and aggregate their responses. However, there is little understanding of how the number of LM calls -- e.g., when asking the LM to answer each question multiple times and taking a majority vote -- affects such a compound system's performance. In this paper, we initiate the study of scaling properties of compound inference systems. We analyze, theoretically and empirically, how the number of LM calls affects the performance of Vote and Filter-Vote, two of the simplest compound system designs, which aggregate LM responses via majority voting, optionally applying LM filters. We find, surprisingly, that across multiple language tasks, the performance of both Vote and Filter-Vote can first increase but then decrease as a function of the number of LM calls. Our theoretical results suggest that this non-monotonicity is due to the diversity of query difficulties within a task: more LM calls lead to higher performance on "easy" queries, but lower performance on "hard" queries, and non-monotone behavior can emerge when a task contains both types of queries. This insight then allows us to compute, from a small number of samples, the number of LM calls that maximizes system performance, and define an analytical scaling model for both systems. Experiments show that our scaling model can accurately predict the performance of Vote and Filter-Vote systems and thus find the optimal number of LM calls to make.
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We analyze the error rates of the Hamiltonian Monte Carlo algorithm with leapfrog integrator for Bayesian neural network inference. We show that due to the non-differentiability of activation functions in the ReLU family, leapfrog HMC for networks with these activation functions has a large local error rate of $\Omega(\epsilon)$ rather than the classical error rate of $\mathcal{O}(\epsilon^3)$. This leads to a higher rejection rate of the proposals, making the method inefficient. We then verify our theoretical findings through empirical simulations as well as experiments on a real-world dataset that highlight the inefficiency of HMC inference on ReLU-based neural networks compared to analytical networks.
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The performance of modern reinforcement learning algorithms critically relies on tuning ever increasing numbers of hyperparameters. Often, small changes in a hyperparameter can lead to drastic changes in performance, and different environments require very different hyperparameter settings to achieve state-of-the-art performance reported in the literature. We currently lack a scalable and widely accepted approach to characterizing these complex interactions. This work proposes a new empirical methodology for studying, comparing, and quantifying the sensitivity of an algorithm’s performance to hyperparameter tuning for a given set of environments. We then demonstrate the utility of this methodology by assessing the hyperparameter sensitivity of several commonly used normalization variants of PPO. The results suggest that several algorithmic performance improvements may, in fact, be a result of an increased reliance on hyperparameter tuning.
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There is a rising interest and trend in research towards directly translating speech from one language to another, known as end-to-end speech-to-speech translation. However, most end-to-end models struggle to outperform cascade models, i.e., a pipeline framework by concatenating speech recognition, machine translation and text-to-speech models. The primary challenges stem from the inherent complexities involved in direct translation tasks and the scarcity of data. In this study, we introduce a novel model framework TransVIP that leverages diverse datasets in a cascade fashion yet facilitates end-to-end inference through joint probability. Furthermore, we propose two separated encoders to preserve the speaker’s voice characteristics and isochrony from the source speech during the translation process, making it highly suitable for scenarios such as video dubbing. Our experiments on the French-English language pair demonstrate that our model outperforms the current state-of-the-art speech-to-speech translation model.
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Datasets often suffer severe selection bias; clinical labels are only available on patients for whom doctors ordered medical exams. To assess model performance outside the support of available data, we present a computational framework for adaptive labeling, providing cost-efficient model evaluations under severe distribution shifts. We formulate the problem as a Markov Decision Process over states defined by posterior beliefs on model performance. Each batch of new labels incurs a “state transition” to sharper beliefs, and we choose batches to minimize uncertainty on model performance at the end of the label collection process. Instead of relying on high-variance REINFORCE policy gradient estimators that do not scale, our adaptive labeling policy is optimized using path-wise policy gradients computed by auto-differentiating through simulated roll-outs. Our framework is agnostic to different uncertainty quantification approaches and highlights the virtue of planning in adaptive labeling. On synthetic and real datasets, we empirically demonstrate even a one-step lookahead policy substantially outperforms active learning-inspired heuristics.
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Functional magnetic resonance imaging (fMRI) is an indispensable tool in modern neuroscience, providing a non-invasive window into whole-brain dynamics at millimeter-scale spatial resolution. However, fMRI is constrained by issues such as high operation costs and immobility. With the rapid advancements in cross-modality synthesis and brain decoding, the use of deep neural networks has emerged as a promising solution for inferring whole-brain, high-resolution fMRI features directly from electroencephalography (EEG), a more widely accessible and portable neuroimaging modality. Nonetheless, the complex projection from neural activity to fMRI hemodynamic responses and the spatial ambiguity of EEG pose substantial challenges both in modeling and interpretability. Relatively few studies to date have developed approaches for EEG-fMRI translation, and although they have made significant strides, the inference of fMRI signals in a given study has been limited to a small set of brain areas and to a single condition (i.e., either resting-state or a specific task). The capability to predict fMRI signals in other brain areas, as well as to generalize across conditions, remain critical gaps in the field. To tackle these challenges, we introduce a novel and generalizable framework: NeuroBOLT, i.e., Neuro-to-BOLD Transformer, which leverages multi-dimensional representation learning from temporal, spatial, and spectral domains to translate raw EEG data to the corresponding fMRI activity signals across the brain. Our experiments demonstrate that NeuroBOLT effectively reconstructs unseen resting-state fMRI signals from primary sensory, high-level cognitive areas, and deep subcortical brain regions, achieving state-of-the-art accuracy with the potential to generalize across varying conditions and sites, which significantly advances the integration of these two modalities.
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The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current machine learning approaches, however, mostly rely on rerunning simulations over a fixed set of designs available in the observed data, potentially neglecting informative correlations across the design space and requiring a large amount of simulations. Instead, we consider the calibration process from the perspective of Bayesian adaptive experimental design and propose a data-efficient algorithm to run maximally informative simulations within a batch-sequential process. At each round, the algorithm jointly estimates the parameters posterior distribution and optimal designs by maximising a variational lower bound of the expected information gain. The simulator is modelled as a sample from a Gaussian process, which allows us to correlate simulations and real data with the unknown calibration parameters. We show the benefits of our method when compared to related approaches across synthetic and real-data problems.
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Few-shot fine-tuning of text-to-image (T2I) generation models enables people to create unique images in their own style using natural languages without requiring extensive prompt engineering. However, fine-tuning with only a handful, as little as one, of image-text paired data prevents fine-grained control of style attributes at generation. In this paper, we present FineStyle, a few-shot fine-tuning method that allows enhanced controllability for style personalized text-to-image generation. To overcome the lack of training data for fine-tuning, we propose a novel concept-oriented data scaling that amplifies the number of image-text pair, each of which focuses on different concepts (e.g., objects) in the style reference image. We also identify the benefit of parameter-efficient adapter tuning of key and value kernels of cross-attention layers. Extensive experiments show the effectiveness of FineStyle at following fine-grained text prompts and delivering visual quality faithful to the specified style, measured by CLIP scores and human raters.
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Understanding connections between artificial and biological intelligent systems can reveal fundamental principles of general intelligence. While many artificial intelligence models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between interacting attention heads and human episodic memory. We focus on induction heads, which contribute to in-context learning in Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate and late layers, qualitatively mirroring human memory biases. The ablation of CMR-like heads suggests their causal role in in-context learning. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.
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Motivated by the transformative capabilities of large language models (LLMs) across various natural language tasks, there has been a growing demand to deploy these models effectively across diverse real-world applications and platforms. However, the challenge of efficiently deploying LLMs has become increasingly pronounced due to the varying application-specific performance requirements and the rapid evolution of computational platforms, which feature diverse resource constraints and deployment flows. These varying requirements necessitate LLMs that can adapt their structures (depth and width) for optimal efficiency across different platforms and application specifications. To address this critical gap, we propose AmoebaLLM, a novel framework designed to enable the instant derivation of LLM subnets of arbitrary shapes, which achieve the accuracy-efficiency frontier and can be extracted immediately after a one-time fine-tuning. In this way, AmoebaLLM significantly facilitates rapid deployment tailored to various platforms and applications. Specifically, AmoebaLLM integrates three innovative components: (1) a knowledge-preserving subnet selection strategy that features a dynamic-programming approach for depth shrinking and an importance-driven method for width shrinking; (2) a shape-aware mixture of LoRAs to mitigate gradient conflicts among subnets during fine-tuning; and (3) an in-place distillation scheme with loss-magnitude balancing as the fine-tuning objective. Extensive experiments validate that AmoebaLLM not only sets new standards in LLM adaptability but also successfully delivers subnets that achieve state-of-the-art trade-offs between accuracy and efficiency.
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Current approaches to learning cooperative multi-agent behaviors assume relatively restrictive settings. In standard fully cooperative multi-agent reinforcement learning, the learning algorithm controls *all* agents in the scenario, while in ad hoc teamwork, the learning algorithm usually assumes control over only a *single* agent in the scenario. However, many cooperative settings in the real world are much less restrictive. For example, in an autonomous driving scenario, a company might train its cars with the same learning algorithm, yet once on the road, these cars must cooperate with cars from another company. Towards expanding the class of scenarios that cooperative learning methods may optimally address, we introduce $N$*-agent ad hoc teamwork* (NAHT), where a set of autonomous agents must interact and cooperate with dynamically varying numbers and types of teammates. This paper formalizes the problem, and proposes the *Policy Optimization with Agent Modelling* (POAM) algorithm. POAM is a policy gradient, multi-agent reinforcement learning approach to the NAHT problem, that enables adaptation to diverse teammate behaviors by learning representations of teammate behaviors. Empirical evaluation on tasks from the multi-agent particle environment and StarCraft II shows that POAM improves cooperative task returns compared to baseline approaches, and enables out-of-distribution generalization to unseen teammates.
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Bilevel Optimization has experienced significant advancements recently with the introduction of new efficient algorithms. Mirroring the success in single-level optimization, stochastic gradient-based algorithms are widely used in bilevel optimization. However, a common limitation in these algorithms is the presumption of independent sampling, which can lead to increased computational costs due to the unique hyper-gradient structure in bilevel problems. To address this challenge, we study the example-selection strategy for bilevel optimization in this work. More specifically, we introduce a without-replacement sampling based algorithm which achieves a faster convergence rate compared to its counterparts that rely on independent sampling. Beyond the standard bilevel optimization formulation, we extend our discussion to conditional bilevel optimization and also two special cases: minimax and compositional optimization. Finally, we validate our algorithms over both synthetic and real-world applications. Numerical results clearly showcase the superiority of our algorithms.
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The performance of Transfer Learning (TL) significantly depends on effective pretraining, which not only requires extensive amounts of data but also substantial computational resources. As a result, in practice, it is challenging to successfully perform TL at the level of individual model developers. Federated Learning (FL) addresses these challenges by enabling collaboration among individual clients through an indirect expansion of the available dataset, distribution of the computation burden across different entities, and privacy-preserving communication mechanisms. Despite several attempts to devise effective transferable FL approaches, several important issues remain unsolved. First, existing methods in this setting primarily focus on optimizing transferability within their local client domains, thereby ignoring transferability over the global learning domain. Second, most approaches focus on analyzing indirect transferability metrics, which does not allow for accurate assessment of the final target loss and extent of transferability. To address these issues, we introduce two important FL features into the model. The first boosts transferability via an exchange protocol between the clients and the server that includes information about cross-client Jacobian (gradient) norms. The second feature promotes an increase of the average of the Jacobians of the clients at the server side, which is subsequently used as a local regularizer that reduces the cross-client Jacobian variance. A rigorous analysis of our transferable federated algorithm, termed FedGTST (Federated Global Transferability via Statistics Tuning), reveals that increasing the averaged Jacobian norm across clients and reducing its variance ensures tight control of the target loss. This insight leads to the first known upper bound on the target loss of transferable federated learning in terms of the source loss and source-target domain discrepancy. Extensive experimental results on datasets including MNIST → MNIST-M and CIFAR10 → SVHN suggest that FedGTST significantly outperforms other relevant baselines, such as FedSR. For example, on the second source-target dataset pair, we improve the accuracy of FedSR by 9.8% and that of FedIIR by 7.6% when the backbone used is LeNet.
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Code Large Language Models (Code LLMs) have excelled at tasks like code completion but often miss deeper semantics such as execution effects and dynamic states. This paper aims to bridge the gap between Code LLMs' reliance on static text data and the need for semantic understanding for complex tasks like debugging and program repair. We introduce a novel strategy, _monologue reasoning_, to train Code LLMs to reason comprehensive semantics, encompassing high-level functional descriptions, local execution effects of individual statements, and overall input/output behavior, thereby linking static code text with dynamic execution states. We begin by collecting PyX, a clean Python corpus of fully executable code samples with functional descriptions and test cases. We propose training Code LLMs not only to write code but also to understand code semantics by reasoning about key properties, constraints, and execution behaviors using natural language, mimicking human verbal debugging, i.e., rubber-duck debugging. This approach led to the development of SemCoder, a Code LLM with only 6.7B parameters, which shows competitive performance with GPT-3.5-turbo on code generation and execution reasoning tasks. SemCoder achieves 79.3% on HumanEval (GPT-3.5-turbo: 76.8%), 63.6% on CRUXEval-I (GPT-3.5-turbo: 50.3%), and 63.9% on CRUXEval-O (GPT-3.5-turbo: 59.0%). We also study the effectiveness of SemCoder's monologue-style execution reasoning compared to concrete scratchpad reasoning, showing that our approach integrates semantics from multiple dimensions more smoothly. Finally, we demonstrate the potential of applying learned semantics to improve Code LLMs' debugging and self-refining capabilities. Our data, code, and models are available at: https://github.com/ARiSE-Lab/SemCoder.
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Unsupervised domain adaptation (UDA) plays a crucial role in addressing distribution shifts in machine learning. In this work, we improve the theoretical foundations of UDA proposed in Acuna et al. (2021) by refining their $f$-divergence-based discrepancy and additionally introducing a new measure, $f$-domain discrepancy ($f$-DD). By removing the absolute value function and incorporating a scaling parameter, $f$-DD obtains novel target error and sample complexity bounds, allowing us to recover previous KL-based results and bridging the gap between algorithms and theory presented in Acuna et al. (2021). Using a localization technique, we also develop a fast-rate generalization bound. Empirical results demonstrate the superior performance of $f$-DD-based learning algorithms over previous works in popular UDA benchmarks.
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Adversarial prompts (or say, adversarial examples) generated using gradient-based methods exhibit outstanding performance in performing automatic jailbreak attacks against safety-aligned LLMs. Nevertheless, due to the discrete nature of texts, the input gradient of LLMs struggles to precisely reflect the magnitude of loss change that results from token replacements in the prompt, leading to limited attack success rates against safety-aligned LLMs, even in the *white-box* setting. In this paper, we explore a new perspective on this problem, suggesting that it can be alleviated by leveraging innovations inspired in transfer-based attacks that were originally proposed for attacking *black-box* image classification models. For the first time, we appropriate the ideologies of effective methods among these transfer-based attacks, *i.e.*, Skip Gradient Method and Intermediate Level Attack, into gradient-based adversarial prompt generation and achieve significant performance gains without introducing obvious computational cost. Meanwhile, by discussing mechanisms behind the gains, new insights are drawn, and proper combinations of these methods are also developed. Our empirical results show that 87% of the query-specific adversarial suffixes generated by the developed combination can induce Llama-2-7B-Chat to produce the output that exactly matches the target string on AdvBench. This match rate is 33% higher than that of a very strong baseline known as GCG, demonstrating advanced discrete optimization for adversarial prompt generation against LLMs. In addition, without introducing obvious cost, the combination achieves >30% absolute increase in attack success rates compared with GCG when generating both query-specific (38% ->68%) and universal adversarial prompts (26.68% -> 60.32%) for attacking the Llama-2-7B-Chat model on AdvBench. Code at: https://github.com/qizhangli/Gradient-based-Jailbreak-Attacks.
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Conformal prediction is an uncertainty quantification method that constructs a prediction set for a previously unseen datum, ensuring the true label is included with a predetermined coverage probability. Adaptive conformal prediction has been developed to address data distribution shifts in dynamic environments. However, the efficiency of prediction sets varies depending on the learning model used. Employing a single fixed model may not consistently offer the best performance in dynamic environments with unknown data distribution shifts. To address this issue, we introduce a novel adaptive conformal prediction framework, where the model used for creating prediction sets is selected ‘on the fly’ from multiple candidate models. The proposed algorithm is proven to achieve strongly adaptive regret over all intervals while maintaining valid coverage. Experiments on both real and synthetic datasets corroborate that the proposed approach consistently yields more efficient prediction sets while maintaining valid coverage, outperforming alternative methods.
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Considering various data modalities, such as images, videos, and text, humans perform causal reasoning using high-level causal variables, as opposed to operating at the low, pixel level from which the data comes. In practice, most causal reasoning methods assume that the data is described as granular as the underlying causal generative factors, which is often violated in various AI tasks. This mismatch translates into a lack of guarantees in various tasks such as generative modeling, decision-making, fairness, and generalizability, to cite a few. In this paper, we acknowledge this issue and study the problem of causal disentangled representation learning from a combination of data gathered from various heterogeneous domains and assumptions in the form of a latent causal graph. To the best of our knowledge, the proposed work is the first to consider i) non-Markovian causal settings, where there may be unobserved confounding, ii) arbitrary distributions that arise from multiple domains, and iii) a relaxed version of disentanglement. Specifically, we introduce graphical criteria that allow for disentanglement under various conditions. Building on these results, we develop an algorithm that returns a causal disentanglement map, highlighting which latent variables can be disentangled given the combination of data and assumptions. The theory is corroborated by experiments.
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We study the problem of aligning large language models (LLMs) with human preference data. Contrastive preference optimization has shown promising results in aligning LLMs with available preference data by optimizing the implicit reward associated with the policy. However, the contrastive objective focuses mainly on the relative values of implicit rewards associated with two responses while ignoring their actual values, resulting in suboptimal alignment with human preferences. To address this limitation, we propose calibrated direct preference optimization (Cal-DPO), a simple yet effective algorithm. We show that substantial improvement in alignment with the given preferences can be achieved simply by calibrating the implicit reward to ensure that the learned implicit rewards are comparable in scale to the ground-truth rewards. We demonstrate the theoretical advantages of Cal-DPO over existing approaches. The results of our experiments on a variety of standard benchmarks show that Cal-DPO remarkably improves off-the-shelf methods.
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We consider contextual bandits with graph feedback, a class of interactive learning problems with richer structures than vanilla contextual bandits, where taking an action reveals the rewards for all neighboring actions in the feedback graph under all contexts. Unlike the multi-armed bandits setting where a growing literature has painted a near-complete understanding of graph feedback, much remains unexplored in the contextual bandits counterpart. In this paper, we make inroads into this inquiry by establishing a regret lower bound $\Omega(\sqrt{\beta_M(G) T})$, where $M$ is the number of contexts, $G$ is the feedback graph, and $\beta_M(G)$ is our proposed graph-theoretic quantity that characterizes the fundamental learning limit for this class of problems. Interestingly, $\beta_M(G)$ interpolates between $\alpha(G)$ (the independence number of the graph) and $\mathsf{m}(G)$ (the maximum acyclic subgraph (MAS) number of the graph) as the number of contexts $M$ varies. We also provide algorithms that achieve near-optimal regret for important classes of context sequences and/or feedback graphs, such as transitively closed graphs that find applications in auctions and inventory control. In particular, with many contexts, our results show that the MAS number essentially characterizes the statistical complexity for contextual bandits, as opposed to the independence number in multi-armed bandits.
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Despite significant advancements in text generation and reasoning, Large Language Models (LLMs) still face challenges in accurately performing complex arithmetic operations. Language model systems often enable LLMs to generate code for arithmetic operations to achieve accurate calculations. However, this approach compromises speed and security, and fine-tuning risks the language model losing prior capabilities. We propose a framework that enables exact arithmetic in *a single autoregressive step*, providing faster, more secure, and more interpretable LLM systems with arithmetic capabilities. We use the hidden states of a LLM to control a symbolic architecture that performs arithmetic. Our implementation using Llama 3 with OccamNet as a symbolic model (OccamLlama) achieves 100\% accuracy on single arithmetic operations ($+,-,\times,\div,\sin{},\cos{},\log{},\exp{},\sqrt{}$), outperforming GPT 4o with and without a code interpreter. Furthermore, OccamLlama outperforms GPT 4o with and without a code interpreter on average across a range of mathematical problem solving benchmarks, demonstrating that OccamLLMs can excel in arithmetic tasks, even surpassing much larger models. Code is available at https://github.com/druidowm/OccamLLM.
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Consider a data-generation process that transforms low-dimensional _latent_ causally-related variables to high-dimensional _observed_ variables. Causal representation learning (CRL) is the process of using the observed data to recover the latent causal variables and the causal structure among them. Despite the multitude of identifiability results under various interventional CRL settings, the existing guarantees apply exclusively to the _infinite-sample_ regime (i.e., infinite observed samples). This paper establishes the first sample-complexity analysis for the finite-sample regime, in which the interactions between the number of observed samples and probabilistic guarantees on recovering the latent variables and structure are established. This paper focuses on _general_ latent causal models, stochastic _soft_ interventions, and a linear transformation from the latent to the observation space. The identifiability results ensure graph recovery up to ancestors and latent variables recovery up to mixing with parent variables. Specifically, ${\cal O}((\log \frac{1}{\delta})^{4})$ samples suffice for latent graph recovery up to ancestors with probability $1 - \delta$, and ${\cal O}((\frac{1}{\epsilon}\log \frac{1}{\delta})^{4})$ samples suffice for latent causal variables recovery that is $\epsilon$ close to the identifiability class with probability $1 - \delta$.
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We study optimal teaching for a family of Behavior Cloning learners that learn using a linear hypothesis class. In this setup, a knowledgeable teacher can demonstrate a dataset of state and action tuples and is required to teach an optimal policy to an entire family of BC learners using the smallest possible dataset. We analyze the linear family and design a novel teaching algorithm called `TIE' that achieves the instance optimal Teaching Dimension for the entire family. However, we show that this problem is NP-hard for action spaces with $|\mathcal{A}| > 2$ and provide an efficient approximation algorithm with a $\log(|\mathcal{A}| - 1)$ guarantee on the optimal teaching size. We present empirical results to demonstrate the effectiveness of our algorithm and compare it to various baselines in different teaching environments.
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Neuroscience research has made immense progress over the last decade, but our understanding of the brain remains fragmented and piecemeal: the dream of probing an arbitrary brain region and automatically reading out the information encoded in its neural activity remains out of reach. In this work, we build towards a first foundation model for neural spiking data that can solve a diverse set of tasks across multiple brain areas. We introduce a novel self-supervised modeling approach for population activity in which the model alternates between masking out and reconstructing neural activity across different time steps, neurons, and brain regions. To evaluate our approach, we design unsupervised and supervised prediction tasks using the International Brain Laboratory repeated site dataset, which is comprised of Neuropixels recordings targeting the same brain locations across 48 animals and experimental sessions. The prediction tasks include single-neuron and region-level activity prediction, forward prediction, and behavior decoding. We demonstrate that our multi-task-masking (MtM) approach significantly improves the performance of current state-of-the-art population models and enables multi-task learning. We also show that by training on multiple animals, we can improve the generalization ability of the model to unseen animals, paving the way for a foundation model of the brain at single-cell, single-spike resolution.
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While diffusion models excel at generating high-quality images, prior work reports a significant performance gap between diffusion and autoregressive (AR) methods in language modeling. In this work, we show that simple masked discrete diffusion is more performant than previously thought. We apply an effective training recipe that improves the performance of masked diffusion models and derive a simplified, Rao-Blackwellized objective that results in additional improvements. Our objective has a simple form—it is a mixture of classical masked language modeling losses—and can be used to train encoder-only language models that admit efficient samplers, including ones that can generate arbitrary lengths of text semi-autoregressively like a traditional language model. On language modeling benchmarks, a range of masked diffusion models trained with modern engineering practices achieves a new state-of-the-art among diffusion models, and approaches AR perplexity. We provide the code, along with a blog post and video tutorial on the project page: https://s-sahoo.com/mdlm
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Federated learning (FL), through its privacy-preserving collaborative learning approach, has significantly empowered decentralized devices. However, constraints in either data and/or computational resources among participating clients introduce several challenges in learning, including the inability to train large model architectures, heightened risks of overfitting, and more. In this work, we present a novel FL framework grounded in Bayesian learning to address these challenges. Our approach involves training personalized Bayesian models at each client tailored to the unique complexities of the clients' datasets and efficiently collaborating across these clients. By leveraging Bayesian neural networks and their uncertainty quantification capabilities, our local training procedure robustly learns from small datasets. And the novel collaboration procedure utilizing priors in the functional (output) space of the networks facilitates collaboration across models of varying sizes, enabling the framework to adapt well in heterogeneous data and computational settings. Furthermore, we present a differentially private version of the algorithm, accompanied by formal differential privacy guarantees that apply without any assumptions on the learning algorithm. Through experiments on popular FL datasets, we demonstrate that our approach outperforms strong baselines in both homogeneous and heterogeneous settings, and under strict privacy constraints.
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Diffusion models have emerged as a powerful tool for generating high-quality images from textual descriptions. Despite their successes, these models often exhibit limited diversity in the sampled images, particularly when sampling with a high classifier-free guidance weight. To address this issue, we present Kaleido, a novel approach that enhances the diversity of samples by incorporating autoregressive latent priors. Kaleido integrates an autoregressive language model that encodes the original caption and generates latent variables, serving as abstract and intermediary representations for guiding and facilitating the image generation process. In this paper, we explore a variety of discrete latent representations, including textual descriptions, detection bounding boxes, object blobs, and visual tokens. These representations diversify and enrich the input conditions to the diffusion models, enabling more diverse outputs. Our experimental results demonstrate that Kaleido effectively broadens the diversity of the generated image samples from a given textual description while maintaining high image quality. Furthermore, we show that Kaleido adheres closely to the guidance provided by the generated latent variables, demonstrating its capability to effectively control and direct the image generation process.
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Machine learning over graphs has recently attracted growing attention due to its ability to analyze and learn complex relations within critical interconnected systems. However, the disparate impact that is amplified by the use of biased graph structures in these algorithms has raised significant concerns for their deployment in real-world decision systems. In addition, while synthetic graph generation has become pivotal for privacy and scalability considerations, the impact of generative learning algorithms on structural bias has not yet been investigated. Motivated by this, this work focuses on the analysis and mitigation of structural bias for both real and synthetic graphs. Specifically, we first theoretically analyze the sources of structural bias that result in disparity for the predictions of dyadic relations. To alleviate the identified bias factors, we design a novel fairness regularizer that offers a versatile use. Faced with the bias amplification in graph generation models brought to light in this work, we further propose a fair graph generation framework, FairWire, by leveraging our fair regularizer design in a generative model. Experimental results on real-world networks validate that the proposed tools herein deliver effective structural bias mitigation for both real and synthetic graphs.
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Evaluating Large Language Models’ (LLMs) anthropomorphic capabilities has become increasingly important in contemporary discourse. Utilizing the emotion appraisal theory from psychology, we propose to evaluate the empathy ability of LLMs, i.e., how their feelings change when presented with specific situations. After a careful and comprehensive survey, we collect a dataset containing over 400 situations that have proven effective in eliciting the eight emotions central to our study. Categorizing the situations into 36 factors, we conduct a human evaluation involving more than 1,200 subjects worldwide. With the human evaluation results as references, our evaluation includes seven LLMs, covering both commercial and open-source models, including variations in model sizes, featuring the latest iterations, such as GPT-4, Mixtral-8x22B, and LLaMA-3.1. We find that, despite several misalignments, LLMs can generally respond appropriately to certain situations. Nevertheless, they fall short in alignment with the emotional behaviors of human beings and cannot establish connections between similar situations. Our collected dataset of situations, the human evaluation results, and the code of our testing framework, i.e., EmotionBench, are publicly available at https://github.com/CUHK-ARISE/EmotionBench.
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Weather forecasting is a fundamental problem for anticipating and mitigating the impacts of climate change. Recently, data-driven approaches for weather forecasting based on deep learning have shown great promise, achieving accuracies that are competitive with operational systems. However, those methods often employ complex, customized architectures without sufficient ablation analysis, making it difficult to understand what truly contributes to their success. Here we introduce Stormer, a simple transformer model that achieves state-of-the art performance on weather forecasting with minimal changes to the standard transformer backbone. We identify the key components of Stormer through careful empirical analyses, including weather-specific embedding, randomized dynamics forecast, and pressure-weighted loss. At the core of Stormer is a randomized forecasting objective that trains the model to forecast the weather dynamics over varying time intervals. During inference, this allows us to produce multiple forecasts for a target lead time and combine them to obtain better forecast accuracy. On WeatherBench 2, Stormer performs competitively at short to medium-range forecasts and outperforms current methods beyond 7 days, while requiring orders-of-magnitude less training data and compute. Additionally, we demonstrate Stormer’s favorable scaling properties, showing consistent improvements in forecast accuracy with increases in model size and training tokens. Code and checkpoints are available at https://github.com/tung-nd/stormer.
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A key source of complexity in next-generation AI models is the size of model outputs, making it time-consuming to parse and provide reliable feedback on. To ensure such models are aligned, we will need to bolster our understanding of scalable oversight and how to scale up human feedback. To this end, we study the challenges of scalable oversight in the context of goal-conditioned hierarchical reinforcement learning. Hierarchical structure is a promising entrypoint into studying how to scale up human feedback, which in this work we assume can only be provided for model outputs below a threshold size. In the cardinal feedback setting, we develop an apt sub-MDP reward and algorithm that allows us to acquire and scale up low-level feedback for learning with sublinear regret. In the ordinal feedback setting, we show the necessity of both high- and low-level feedback, and develop a hierarchical experimental design algorithm that efficiently acquires both types of feedback for learning. Altogether, our work aims to consolidate the foundations of scalable oversight, formalizing and studying the various challenges thereof.
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Imitation learning enables an agent to learn from expert demonstrations when the performance measure is unknown and the reward signal is not specified. Standard imitation methods do not generally apply when the learner and the expert's sensory capabilities mismatch and demonstrations are contaminated with unobserved confounding bias. To address these challenges, recent advancements in causal imitation learning have been pursued. However, these methods often require access to underlying causal structures that might not always be available, posing practical challenges. In this paper, we investigate robust imitation learning within the framework of canonical Markov Decision Processes (MDPs) using partial identification, allowing the agent to achieve expert performance even when the system dynamics are not uniquely determined from the confounded expert demonstrations. Specifically, first, we theoretically demonstrate that when unobserved confounders (UCs) exist in an MDP, the learner is generally unable to imitate expert performance. We then explore imitation learning in partially identifiable settings --- either transition distribution or reward function is non-identifiable from the available data and knowledge. Augmenting the celebrated GAIL method (Ho \& Ermon, 2016), our analysis leads to two novel causal imitation algorithms that can obtain effective policies guaranteed to achieve expert performance.
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We introduce an efficient method for learning linear models from uncertain data, where uncertainty is represented as a set of possible variations in the data, leading to predictive multiplicity. Our approach leverages abstract interpretation and zonotopes, a type of convex polytope, to compactly represent these dataset variations, enabling the symbolic execution of gradient descent on all possible worlds simultaneously. We develop techniques to ensure that this process converges to a fixed point and derive closed-form solutions for this fixed point. Our method provides sound over-approximations of all possible optimal models and viable prediction ranges. We demonstrate the effectiveness of our approach through theoretical and empirical analysis, highlighting its potential to reason about model and prediction uncertainty due to data quality issues in training data.
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General Value Functions (GVFs) (Sutton et al., 2011) represent predictive knowledge in reinforcement learning. Each GVF computes the expected return for a given policy, based on a unique reward. Existing methods relying on fixed behavior policies or pre-collected data often face data efficiency issues when learning multiple GVFs in parallel using off-policy methods. To address this, we introduce *GVFExplorer*, which adaptively learns a single behavior policy that efficiently collects data for evaluating multiple GVFs in parallel. Our method optimizes the behavior policy by minimizing the total variance in return across GVFs, thereby reducing the required environmental interactions. We use an existing temporal-difference-style variance estimator to approximate the return variance. We prove that each behavior policy update decreases the overall mean squared error in GVF predictions. We empirically show our method's performance in tabular and nonlinear function approximation settings, including Mujoco environments, with stationary and non-stationary reward signals, optimizing data usage and reducing prediction errors across multiple GVFs.
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Transformers have achieved great success in recent years. Interestingly, transformers have shown particularly strong in-context learning capability -- even without fine-tuning, they are still able to solve unseen tasks well purely based on task-specific prompts. In this paper, we study the capability of one-layer transformers in learning the one-nearest neighbor prediction rule. Under a theoretical framework where the prompt contains a sequence of labeled training data and unlabeled test data, we show that, although the loss function is nonconvex, when trained with gradient descent, a single softmax attention layer can successfully learn to behave like a one-nearest neighbor classifier. Our result gives a concrete example on how transformers can be trained to implement nonparametric machine learning algorithms, and sheds light on the role of softmax attention in transformer models.
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Out-of-distribution (OOD) detection is crucial for the safe deployment of neural networks. Existing CLIP-based approaches perform OOD detection by devising novel scoring functions or sophisticated fine-tuning methods. In this work, we propose SeTAR, a novel, training-free OOD detection method that leverages selective low-rank approximation of weight matrices in vision-language and vision-only models. SeTAR enhances OOD detection via post-hoc modification of the model's weight matrices using a simple greedy search algorithm. Based on SeTAR, we further propose SeTAR+FT, a fine-tuning extension optimizing model performance for OOD detection tasks. Extensive evaluations on ImageNet1K and Pascal-VOC benchmarks show SeTAR's superior performance, reducing the relatively false positive rate by up to 18.95\% and 36.80\% compared to zero-shot and fine-tuning baselines. Ablation studies further validate our approach's effectiveness, robustness, and generalizability across different model backbones. Our work offers a scalable, efficient solution for OOD detection, setting a new state-of-the-art in this area.
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First-order optimization (FOO) algorithms are pivotal in numerous computational domains, such as reinforcement learning and deep learning. However, their application to complex tasks often entails significant optimization inefficiency due to their need of many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first general framework that enhances the time efficiency of FOO by leveraging parallel computing to directly mitigate its requirement of many sequential iterations for convergence. To achieve this, OptEx utilizes a kernelized gradient estimation that is based on the history of evaluated gradients to predict the gradients required by the next few sequential iterations in FOO, which helps to break the inherent iterative dependency and hence enables the approximate parallelization of iterations in FOO. We further establish theoretical guarantees for the estimation error of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that the estimation error diminishes to zero as the history of gradients accumulates and that our SGD-based OptEx enjoys an effective acceleration rate of Θ(√N ) over standard SGD given parallelism of N, in terms of the sequential iterations required for convergence. Finally, we provide extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training on various datasets, to underscore the substantial efficiency improvements achieved by our OptEx in practice.
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Contrastive Language-Image Pre-training (CLIP) achieves impressive performance on tasks like image classification and image-text retrieval by learning on large-scale image-text datasets. However, CLIP struggles with dense prediction tasks due to the poor grasp of the fine-grained details. Although existing works pay attention to this issue, they achieve limited improvements and usually sacrifice the important visual-semantic consistency. To overcome these limitations, we propose FineCLIP, which keeps the global contrastive learning to preserve the visual-semantic consistency and further enhances the fine-grained understanding through two innovations: 1) A real-time self-distillation scheme that facilitates the transfer of representation capability from global to local features. 2) A semantically-rich regional contrastive learning paradigm with generated region-text pairs, boosting the local representation capabilities with abundant fine-grained knowledge. Both cooperate to fully leverage diverse semantics and multi-grained complementary information. To validate the superiority of our FineCLIP and the rationality of each design, we conduct extensive experiments on challenging dense prediction and image-level tasks. All the observations demonstrate the effectiveness of FineCLIP.
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In sequential decision-making problems, the *information structure* describes the causal dependencies between system variables, encompassing the dynamics of the environment and the agents' actions. Classical models of reinforcement learning (e.g., MDPs, POMDPs) assume a restricted and highly regular information structure, while more general models like predictive state representations do not explicitly model the information structure. By contrast, real-world sequential decision-making problems typically involve a complex and time-varying interdependence of system variables, requiring a rich and flexible representation of information structure. In this paper, we formalize a novel reinforcement learning model which explicitly represents the information structure. We then use this model to carry out an information-structural analysis of the statistical complexity of general sequential decision-making problems, obtaining a characterization via a graph-theoretic quantity of the DAG representation of the information structure. We prove an upper bound on the sample complexity of learning a general sequential decision-making problem in terms of its information structure by exhibiting an algorithm achieving the upper bound. This recovers known tractability results and gives a novel perspective on reinforcement learning in general sequential decision-making problems, providing a systematic way of identifying new tractable classes of problems.
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Instruction tuning (IT) is crucial to tailoring large language models (LLMs) towards human-centric interactions. Recent advancements have shown that the careful selection of a small, high-quality subset of IT data can significantly enhance the performance of LLMs. Despite this, common approaches often rely on additional models or data, which increases costs and limits widespread adoption. In this work, we propose a novel approach, termed $\textit{SelectIT}$, that capitalizes on the foundational capabilities of the LLM itself. Specifically, we exploit the intrinsic uncertainty present in LLMs to more effectively select high-quality IT data, without the need for extra resources. Furthermore, we introduce a curated IT dataset, the $\textit{Selective Alpaca}$, created by applying SelectIT to the Alpaca-GPT4 dataset. Empirical results demonstrate that IT using Selective Alpaca leads to substantial model ability enhancement. The robustness of SelectIT has also been corroborated in various foundation models and domain-specific tasks. Our findings suggest that longer and more computationally intensive IT data may serve as superior sources of IT, offering valuable insights for future research in this area. Data, code, and scripts are freely available at https://github.com/Blue-Raincoat/SelectIT.
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Aligning large language models (LLMs) with human objectives is crucial for real-world applications. However, fine-tuning LLMs for alignment often suffers from unstable training and requires substantial computing resources. Test-time alignment techniques, such as prompting and guided decoding, do not modify the underlying model, and their performance remains dependent on the original model's capabilities. To address these challenges, we propose aligning LLMs through representation editing. The core of our method is to view a pre-trained autoregressive LLM as a discrete-time stochastic dynamical system. To achieve alignment for specific objectives, we introduce external control signals into the state space of this language dynamical system. We train a value function directly on the hidden states according to the Bellman equation, enabling gradient-based optimization to obtain the optimal control signals at test time. Our experiments demonstrate that our method outperforms existing test-time alignment techniques while requiring significantly fewer resources compared to fine-tuning methods. Our code is available at [https://github.com/Lingkai-Kong/RE-Control](https://github.com/Lingkai-Kong/RE-Control).
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This paper presents an auditing procedure for the Differentially Private Stochastic Gradient Descent (DP-SGD) algorithm in the black-box threat model that is substantially tighter than prior work. The main intuition is to craft worst-case initial model parameters, as DP-SGD's privacy analysis is agnostic to the choice of the initial model parameters. For models trained on MNIST and CIFAR-10 at theoretical $\varepsilon=10.0$, our auditing procedure yields empirical estimates of $\varepsilon_{emp} = 7.21$ and $6.95$, respectively, on a 1,000-record sample and $\varepsilon_{emp} = 6.48$ and $4.96$ on the full datasets. By contrast, previous audits were only (relatively) tight in stronger white-box models, where the adversary can access the model's inner parameters and insert arbitrary gradients. Overall, our auditing procedure can offer valuable insight into how the privacy analysis of DP-SGD could be improved and detect bugs and DP violations in real-world implementations. The source code needed to reproduce our experiments is available from https://github.com/spalabucr/bb-audit-dpsgd.
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Deep Multi-agent Reinforcement Learning (MARL) relies on neural networks with numerous parameters in multi-agent scenarios, often incurring substantial computational overhead. Consequently, there is an urgent need to expedite training and enable model compression in MARL. This paper proposes the utilization of dynamic sparse training (DST), a technique proven effective in deep supervised learning tasks, to alleviate the computational burdens in MARL training. However, a direct adoption of DST fails to yield satisfactory MARL agents, leading to breakdowns in value learning within deep sparse value-based MARL models. Motivated by this challenge, we introduce an innovative Multi-Agent Sparse Training (MAST) framework aimed at simultaneously enhancing the reliability of learning targets and the rationality of sample distribution to improve value learning in sparse models. Specifically, MAST incorporates the Soft Mellowmax Operator with a hybrid TD-($\lambda$) schema to establish dependable learning targets. Additionally, it employs a dual replay buffer mechanism to enhance the distribution of training samples. Building upon these aspects, MAST utilizes gradient-based topology evolution to exclusively train multiple MARL agents using sparse networks. Our comprehensive experimental investigation across various value-based MARL algorithms on multiple benchmarks demonstrates, for the first time, significant reductions in redundancy of up to $20\times$ in Floating Point Operations (FLOPs) for both training and inference, with less than 3% performance degradation.
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Neural Collapse (NC) is a recently observed phenomenon in neural networks that characterises the solution space of the final classifier layer when trained until zero training loss. Specifically, NC suggests that the final classifier layer converges to a Simplex Equiangular Tight Frame (ETF), which maximally separates the weights corresponding to each class. By duality, the penultimate layer feature means also converge to the same simplex ETF. Since this simple symmetric structure is optimal, our idea is to utilise this property to improve convergence speed. Specifically, we introduce the notion of \textit{nearest simplex ETF geometry} for the penultimate layer features at any given training iteration, by formulating it as a Riemannian optimisation. Then, at each iteration, the classifier weights are implicitly set to the nearest simplex ETF by solving this inner-optimisation, which is encapsulated within a declarative node to allow backpropagation. Our experiments on synthetic and real-world architectures on classification tasks demonstrate that our approach accelerates convergence and enhances training stability.
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We study the performance guarantees of exploration-free greedy algorithms for the linear contextual bandit problem. We introduce a novel condition, named the \textit{Local Anti-Concentration} (LAC) condition, which enables a greedy bandit algorithm to achieve provable efficiency. We show that the LAC condition is satisfied by a broad class of distributions, including Gaussian, exponential, uniform, Cauchy, and Student's~$t$ distributions, along with other exponential family distributions and their truncated variants. This significantly expands the class of distributions under which greedy algorithms can perform efficiently. Under our proposed LAC condition, we prove that the cumulative expected regret of the greedy algorithm for the linear contextual bandit is bounded by $\mathcal{O}(\operatorname{poly} \log T)$. Our results establish the widest range of distributions known to date that allow a sublinear regret bound for greedy algorithms, further achieving a sharp poly-logarithmic regret.
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Color video snapshot compressive imaging (SCI) employs computational imaging techniques to capture multiple sequential video frames in a single Bayer-patterned measurement. With the increasing popularity of quad-Bayer pattern in mainstream smartphone cameras for capturing high-resolution videos, mobile photography has become more accessible to a wider audience. However, existing color video SCI reconstruction algorithms are designed based on the traditional Bayer pattern. When applied to videos captured by quad-Bayer cameras, these algorithms often result in color distortion and ineffective demosaicing, rendering them impractical for primary equipment. To address this challenge, we propose the MambaSCI method, which leverages the Mamba and UNet architectures for efficient reconstruction of quad-Bayer patterned color video SCI. To the best of our knowledge, our work presents the first algorithm for quad-Bayer patterned SCI reconstruction, and also the initial application of the Mamba model to this task. Specifically, we customize Residual-Mamba-Blocks, which residually connect the Spatial-Temporal Mamba (STMamba), Edge-Detail-Reconstruction (EDR) module, and Channel Attention (CA) module. Respectively, STMamba is used to model long-range spatial-temporal dependencies with linear complexity, EDR is for better edge-detail reconstruction, and CA is used to compensate for the missing channel information interaction in Mamba model. Experiments demonstrate that MambaSCI surpasses state-of-the-art methods with lower computational and memory costs. PyTorch style pseudo-code for the core modules is provided in the supplementary materials. Code is at https://github.com/PAN083/MambaSCI.
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Large Language Models (LLMs) have demonstrated remarkable capabilities in many real-world applications. Nonetheless, LLMs are often criticized for their tendency to produce hallucinations, wherein the models fabricate incorrect statements on tasks beyond their knowledge and perception. To alleviate this issue, graph retrieval-augmented generation (GraphRAG) has been extensively explored which leverages the factual knowledge in knowledge graphs (KGs) to ground the LLM's responses in established facts and principles. However, most state-of-the-art LLMs are closed-source, making it challenging to develop a prompting framework that can efficiently and effectively integrate KGs into LLMs with hard prompts only. Generally, existing KG-enhanced LLMs usually suffer from three critical issues, including huge search space, high API costs, and laborious prompt engineering, that impede their widespread application in practice. To this end, we introduce a novel **Know**ledge **Gr**aph based **P**romp**T**ing framework, namely **KnowGPT**, to enhance LLMs with domain knowledge. KnowGPT contains a knowledge extraction module to extract the most informative knowledge from KGs, and a context-aware prompt construction module to automatically convert extracted knowledge into effective prompts. Experiments on three benchmarks demonstrate that KnowGPT significantly outperforms all competitors. Notably, KnowGPT achieves a 92.6% accuracy on OpenbookQA leaderboard, comparable to human-level performance.
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The ability of Language Models (LMs) to understand natural language makes them a powerful tool for parsing human instructions into task plans for autonomous robots. Unlike traditional planning methods that rely on domain-specific knowledge and handcrafted rules, LMs generalize from diverse data and adapt to various tasks with minimal tuning, acting as a compressed knowledge base. However, LMs in their standard form face challenges with long-horizon tasks, particularly in partially observable multi-agent settings. We propose an LM-based Long-Horizon Planner for Multi-Agent Robotics (LLaMAR), a cognitive architecture for planning that achieves state-of-the-art results in long-horizon tasks within partially observable environments. LLaMAR employs a plan-act-correct-verify framework, allowing self-correction from action execution feedback without relying on oracles or simulators. Additionally, we present MAP-THOR, a comprehensive test suite encompassing household tasks of varying complexity within the AI2-THOR environment. Experiments show that LLaMAR achieves a 30\% higher success rate than other state-of-the-art LM-based multi-agent planners in MAP-THOR and Search \& Rescue tasks. Code can be found at [https://github.com/nsidn98/LLaMAR](https://github.com/nsidn98/LLaMAR)
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Knowledge-based question answering (KBQA) is widely used in many scenarios that necessitate domain knowledge. Large language models (LLMs) bring opportunities to KBQA, while their costs are significantly higher and absence of domain-specific knowledge during pre-training. We are motivated to combine LLMs and prior small models on knowledge graphs (KGMs) for both inferential accuracy and cost saving. However, it remains challenging since accuracy and cost are not readily combined in the optimization as two distinct metrics. It is also laborious for model selection since different models excel in diverse knowledge. To this end, we propose Coke, a novel cost-efficient strategy for KBQA with LLMs, modeled as a tailored multi-armed bandit problem to minimize calls to LLMs within limited budgets. We first formulate the accuracy expectation with a cluster-level Thompson Sampling for either KGMs or LLMs. A context-aware policy is optimized to further distinguish the expert model subject to the question semantics. The overall decision is bounded by the cost regret according to historical expenditure on failures. Extensive experiments showcase the superior performance of Coke, which moves the Pareto frontier with up to 20.89% saving of GPT-4 fees while achieving a 2.74% higher accuracy on the benchmark datasets.
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We consider the problem of active learning for global sensitivity analysis of expensive black-box functions. Our aim is to efficiently learn the importance of different input variables, e.g., in vehicle safety experimentation, we study the impact of the thickness of various components on safety objectives. Since function evaluations are expensive, we use active learning to prioritize experimental resources where they yield the most value. We propose novel active learning acquisition functions that directly target key quantities of derivative-based global sensitivity measures (DGSMs) under Gaussian process surrogate models. We showcase the first application of active learning directly to DGSMs, and develop tractable uncertainty reduction and information gain acquisition functions for these measures. Through comprehensive evaluation on synthetic and real-world problems, our study demonstrates how these active learning acquisition strategies substantially enhance the sample efficiency of DGSM estimation, particularly with limited evaluation budgets. Our work paves the way for more efficient and accurate sensitivity analysis in various scientific and engineering applications.
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Do machines and humans process language in similar ways? Recent research has hinted at the affirmative, showing that human neural activity can be effectively predicted using the internal representations of language models (LMs). Although such results are thought to reflect shared computational principles between LMs and human brains, there are also clear differences in how LMs and humans represent and use language. In this work, we systematically explore the divergences between human and machine language processing by examining the differences between LM representations and human brain responses to language as measured by Magnetoencephalography (MEG) across two datasets in which subjects read and listened to narrative stories. Using an LLM-based data-driven approach, we identify two domains that LMs do not capture well: social/emotional intelligence and physical commonsense. We validate these findings with human behavioral experiments and hypothesize that the gap is due to insufficient representations of social/emotional and physical knowledge in LMs. Our results show that fine-tuning LMs on these domains can improve their alignment with human brain responses.
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Conditional independence tests are crucial across various disciplines in determining the independence of an outcome variable $Y$ from a treatment variable $X$, conditioning on a set of confounders $Z$. The Conditional Randomization Test (CRT) offers a powerful framework for such testing by assuming known distributions of $X \mid Z$; it controls the Type-I error exactly, allowing for the use of flexible, black-box test statistics. In practice, testing for conditional independence often involves using data from a source population to draw conclusions about a target population. This can be challenging due to covariate shift---differences in the distribution of $X$, $Z$, and surrogate variables, which can affect the conditional distribution of $Y \mid X, Z$---rendering traditional CRT approaches invalid. To address this issue, we propose a novel Covariate Shift Corrected Pearson Chi-squared Conditional Randomization (csPCR) test. This test adapts to covariate shifts by integrating importance weights and employing the control variates method to reduce variance in the test statistics and thus enhance power. Theoretically, we establish that the csPCR test controls the Type-I error asymptotically. Empirically, through simulation studies, we demonstrate that our method not only maintains control over Type-I errors but also exhibits superior power, confirming its efficacy and practical utility in real-world scenarios where covariate shifts are prevalent. Finally, we apply our methodology to a real-world dataset to assess the impact of a COVID-19 treatment on the 90-day mortality rate among patients.
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Transformers can efficiently learn in-context from example demonstrations. Most existing theoretical analyses studied the in-context learning (ICL) ability of transformers for linear function classes, where it is typically shown that the minimizer of the pretraining loss implements one gradient descent step on the least squares objective. However, this simplified linear setting arguably does not demonstrate the statistical efficiency of ICL, since the pretrained transformer does not outperform directly solving linear regression on the test prompt. In this paper, we study ICL of a nonlinear function class via transformer with nonlinear MLP layer: given a class of \textit{single-index} target functions $f_*(\boldsymbol{x}) = \sigma_*(\langle\boldsymbol{x},\boldsymbol{\beta}\rangle)$, where the index features $\boldsymbol{\beta}\in\mathbb{R}^d$ are drawn from a $r$-dimensional subspace, we show that a nonlinear transformer optimized by gradient descent (with a pretraining sample complexity that depends on the \textit{information exponent} of the link functions $\sigma_*$) learns $f_*$ in-context with a prompt length that only depends on the dimension of the distribution of target functions $r$; in contrast, any algorithm that directly learns $f_*$ on test prompt yields a statistical complexity that scales with the ambient dimension $d$. Our result highlights the adaptivity of the pretrained transformer to low-dimensional structures of the function class, which enables sample-efficient ICL that outperforms estimators that only have access to the in-context data.
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Estimating individualized treatment rules (ITRs) is fundamental in causal inference, particularly for precision medicine applications. Traditional ITR estimation methods rely on inverse probability weighting (IPW) to address confounding factors and $L_{1}$-penalization for simplicity and interpretability. However, IPW can introduce statistical bias without precise propensity score modeling, while $L_1$-penalization makes the objective non-smooth, leading to computational bias and requiring subgradient methods. In this paper, we propose a unified ITR estimation framework formulated as a constrained, weighted, and smooth convex optimization problem. The optimal ITR can be robustly and effectively computed by projected gradient descent. Our comprehensive theoretical analysis reveals that weights that balance the spectrum of a `weighted design matrix' improve both the optimization and likelihood landscapes, yielding improved computational and statistical estimation guarantees. In particular, this is achieved by distributional covariate balancing weights, which are model-free alternatives to IPW. Extensive simulations and applications demonstrate that our framework achieves significant gains in both robustness and effectiveness for ITR learning against existing methods.
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We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.
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Reinforcement learning based fine-tuning of large language models (LLMs) on human preferences has been shown to enhance both their capabilities and safety behavior. However, in cases related to safety, without precise instructions to human annotators, the data collected may cause the model to become overly cautious, or to respond in an undesirable style, such as being judgmental. Additionally, as model capabilities and usage patterns evolve, there may be a costly need to add or relabel data to modify safety behavior. We propose a novel preference modeling approach that utilizes AI feedback and only requires a small amount of human data. Our method, Rule Based Rewards (RBR), uses a collection of rules for desired or undesired behaviors (e.g. refusals should not be judgmental) along with a LLM grader. In contrast to prior methods using AI feedback, our method uses fine-grained, composable, LLM-graded few-shot prompts as reward directly in RL training, resulting in greater control, accuracy and ease of updating. We show that RBRs are an effective training method, achieving an F1 score of 97.1, compared to a human-feedback baseline of 91.7, resulting in much higher safety-behavior accuracy through better balancing usefulness and safety.
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Benefiting from the booming deep learning techniques, neural operators (NO) are considered as an ideal alternative to break the traditions of solving Partial Differential Equations (PDE) with expensive cost. Yet with the remarkable progress, current solutions concern little on the holistic function features--both global and local information-- during the process of solving PDEs. Besides, a meticulously designed kernel integration to meet desirable performance often suffers from a severe computational burden, such as GNO with $O(N(N-1))$, FNO with $O(NlogN)$, and Transformer-based NO with $O(N^2)$. To counteract the dilemma, we propose a mamba neural operator with $O(N)$ computational complexity, namely MambaNO. Functionally, MambaNO achieves a clever balance between global integration, facilitated by state space model of Mamba that scans the entire function, and local integration, engaged with an alias-free architecture. We prove a property of continuous-discrete equivalence to show the capability of MambaNO in approximating operators arising from universal PDEs to desired accuracy. MambaNOs are evaluated on a diverse set of benchmarks with possibly multi-scale solutions and set new state-of-the-art scores, yet with fewer parameters and better efficiency.
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In this paper, we study Adam in non-convex smooth scenarios with potential unbounded gradients and affine variance noise. We consider a general noise model which governs affine variance noise, bounded noise, and sub-Gaussian noise. We show that Adam with a specific hyper-parameter setup can find a stationary point with a $\mathcal{O}(\text{poly}(\log T)/\sqrt{T})$ rate in high probability under this general noise model where $T$ denotes total number iterations, matching the lower rate of stochastic first-order algorithms up to logarithm factors. We also provide a probabilistic convergence result for Adam under a generalized smooth condition which allows unbounded smoothness parameters and has been illustrated empirically to capture the smooth property of many practical objective functions more accurately.
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In the field of computational advertising, the integration of ads into the outputs of large language models (LLMs) presents an opportunity to support these services without compromising content integrity. This paper introduces novel auction mechanisms for ad allocation and pricing within the textual outputs of LLMs, leveraging retrieval-augmented generation (RAG). We propose a \emph{segment auction} where an ad is probabilistically retrieved for each discourse segment (paragraph, section, or entire output) according to its bid and relevance, following the RAG framework, and priced according to competing bids. We show that our auction maximizes logarithmic social welfare, a new notion of welfare that balances allocation efficiency and fairness, and we characterize the associated incentive-compatible pricing rule. These results are extended to multi-ad allocation per segment. An empirical evaluation validates the feasibility and effectiveness of our approach over several ad auction scenarios, and exhibits inherent tradeoffs in metrics as we allow the LLM more flexibility to allocate ads.
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The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. LLM unlearning is designed to reduce the impact of undesirable data influences and associated model capabilities without diminishing the utility of the model if unrelated to the information being forgotten. Despite growing interest, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning (TOFU benchmark), malicious use prevention (WMDP benchmark), and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.
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In many settings, machine learning models may be used to inform decisions that impact individuals or entities who interact with the model. Such entities, or *agents,* may *game* model decisions by manipulating their inputs to the model to obtain better outcomes and maximize some utility. We consider a multi-agent setting where the goal is to identify the “worst offenders:” agents that are gaming most aggressively. However, identifying such agents is difficult without knowledge of their utility function. Thus, we introduce a framework in which each agent’s tendency to game is parameterized via a scalar. We show that this gaming parameter is only partially identifiable. By recasting the problem as a causal effect estimation problem where different agents represent different “treatments,” we prove that a ranking of all agents by their gaming parameters is identifiable. We present empirical results in a synthetic data study validating the usage of causal effect estimation for gaming detection and show in a case study of diagnosis coding behavior in the U.S. that our approach highlights features associated with gaming.
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We consider the reinforcement learning problem for the constrained Markov decision process (CMDP), which plays a central role in satisfying safety or resource constraints in sequential learning and decision-making. In this problem, we are given finite resources and a MDP with unknown transition probabilities. At each stage, we take an action, collecting a reward and consuming some resources, all assumed to be unknown and need to be learned over time. In this work, we take the first step towards deriving optimal problem-dependent guarantees for the CMDP problems. We derive a logarithmic regret bound, which translates into a $O(\frac{1}{\Delta\cdot\epsilon}\cdot\log^2(1/\epsilon))$ sample complexity bound, with $\Delta$ being a problem-dependent parameter, yet independent of $\epsilon$. Our sample complexity bound improves upon the state-of-art $O(1/\epsilon^2)$ sample complexity for CMDP problems established in the previous literature, in terms of the dependency on $\epsilon$. To achieve this advance, we develop a new framework for analyzing CMDP problems. To be specific, our algorithm operates in the primal space and we resolve the primal LP for the CMDP problem at each period in an online manner, with \textit{adaptive} remaining resource capacities. The key elements of our algorithm are: i) a characterization of the instance hardness via LP basis, ii) an eliminating procedure that identifies one optimal basis of the primal LP, and; iii) a resolving procedure that is adaptive to the remaining resources and sticks to the characterized optimal basis.
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Empirically, large-scale deep learning models often satisfy a neural scaling law: the test error of the trained model improves polynomially as the model size and data size grow. However, conventional wisdom suggests the test error consists of approximation, bias, and variance errors, where the variance error increases with model size. This disagrees with the general form of neural scaling laws, which predict that increasing model size monotonically improves performance. We study the theory of scaling laws in an infinite dimensional linear regression setup. Specifically, we consider a model with $M$ parameters as a linear function of sketched covariates. The model is trained by one-pass stochastic gradient descent (SGD) using $N$ data. Assuming the optimal parameter satisfies a Gaussian prior and the data covariance matrix has a power-law spectrum of degree $a>1$, we show that the reducible part of the test error is $\Theta(M^{-(a-1)} + N^{-(a-1)/a})$. The variance error, which increases with $M$, is dominated by the other errors due to the implicit regularization of SGD, thus disappearing from the bound. Our theory is consistent with the empirical neural scaling laws and verified by numerical simulation.
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Diffusion models can learn strong image priors from underlying data distribution and use them to solve inverse problems, but the training process is computationally expensive and requires lots of data. Such bottlenecks prevent most existing works from being feasible for high-dimensional and high-resolution data such as 3D images. This paper proposes a method to learn an efficient data prior for the entire image by training diffusion models only on patches of images. Specifically, we propose a patch-based position-aware diffusion inverse solver, called PaDIS, where we obtain the score function of the whole image through scores of patches and their positional encoding and utilize this as the prior for solving inverse problems. First of all, we show that this diffusion model achieves an improved memory efficiency and data efficiency while still maintaining the capability to generate entire images via positional encoding. Additionally, the proposed PaDIS model is highly flexible and can be plugged in with different diffusion inverse solvers (DIS). We demonstrate that the proposed PaDIS approach enables solving various inverse problems in both natural and medical image domains, including CT reconstruction, deblurring, and superresolution, given only patch-based priors. Notably, PaDIS outperforms previous DIS methods trained on entire image priors in the case of limited training data, demonstrating the data efficiency of our proposed approach by learning patch-based prior.
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Fourier Neural Operators (FNOs) have shown promise for solving partial differential equations (PDEs). Typically, FNOs employ separate parameters for different frequency modes to specify tunable kernel integrals in Fourier space, which, yet, results in an undesirably large number of parameters when solving high-dimensional PDEs. A workaround is to abandon the frequency modes exceeding a predefined threshold, but this limits the FNOs' ability to represent high-frequency details and poses non-trivial challenges for hyper-parameter specification. To address these, we propose AMortized Fourier Neural Operator (AM-FNO), where an amortized neural parameterization of the kernel function is deployed to accommodate arbitrarily many frequency modes using a fixed number of parameters. We introduce two implementations of AM-FNO, based on the recently developed, appealing Kolmogorov–Arnold Network (KAN) and Multi-Layer Perceptrons (MLPs) equipped with orthogonal embedding functions respectively. We extensively evaluate our method on diverse datasets from various domains and observe up to 31\% average improvement compared to competing neural operator baselines.
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While time series diffusion models have received considerable focus from many recent works, the performance of existing models remains highly unstable. Factors limiting time series diffusion models include insufficient time series datasets and the absence of guidance. To address these limitations, we propose a Retrieval-Augmented Time series Diffusion model (RATD). The framework of RATD consists of two parts: an embedding-based retrieval process and a reference-guided diffusion model. In the first part, RATD retrieves the time series that are most relevant to historical time series from the database as references. The references are utilized to guide the denoising process in the second part. Our approach allows leveraging meaningful samples within the database to aid in sampling, thus maximizing the utilization of datasets. Meanwhile, this reference-guided mechanism also compensates for the deficiencies of existing time series diffusion models in terms of guidance. Experiments and visualizations on multiple datasets demonstrate the effectiveness of our approach, particularly in complicated prediction tasks. Our code is available at https://github.com/stanliu96/RATD
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Recent advancements in large language models, such as GPT-4, have demonstrated remarkable capabilities in processing standard queries. Despite these advancements, their performance substantially declines in advanced mathematical problems requiring complex, multi-step logical reasoning. To enhance their inferential capabilities, current research has delved into prompting engineering, exemplified by methodologies such as the Tree of Thought and Graph of Thought. Nonetheless, these existing approaches encounter two significant limitations. Firstly, their effectiveness in tackling complex mathematical problems is somewhat constrained. Secondly, the necessity to design distinct prompts for individual problems hampers their generalizability. In response to these limitations, this paper introduces the Multi-Agent System for conditional Mining (MACM) prompting method. It not only resolves intricate mathematical problems but also demonstrates strong generalization capabilities across various mathematical contexts. With the assistance of MACM, the accuracy of GPT-4 Turbo on the most challenging level five mathematical problems in the MATH dataset increase from $\mathbf{54.68\\%} \text{ to } \mathbf{76.73\\%}$.
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The in-context learning (ICL) capability of pre-trained models based on the transformer architecture has received growing interest in recent years. While theoretical understanding has been obtained for ICL in reinforcement learning (RL), the previous results are largely confined to the single-agent setting. This work proposes to further explore the in-context learning capabilities of pre-trained transformer models in competitive multi-agent games, i.e., in-context game-playing (ICGP). Focusing on the classical two-player zero-sum games, theoretical guarantees are provided to demonstrate that pre-trained transformers can provably learn to approximate Nash equilibrium in an in-context manner for both decentralized and centralized learning settings. As a key part of the proof, constructional results are established to demonstrate that the transformer architecture is sufficiently rich to realize celebrated multi-agent game-playing algorithms, in particular, decentralized V-learning and centralized VI-ULCB.
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Mobile device operation tasks are increasingly becoming a popular multi-modal AI application scenario. Current Multi-modal Large Language Models (MLLMs), constrained by their training data, lack the capability to function effectively as operation assistants. Instead, MLLM-based agents, which enhance capabilities through tool invocation, are gradually being applied to this scenario. However, the two major navigation challenges in mobile device operation tasks — task progress navigation and focus content navigation — are difficult to effectively solve under the single-agent architecture of existing work. This is due to the overly long token sequences and the interleaved text-image data format, which limit performance. To address these navigation challenges effectively, we propose Mobile-Agent-v2, a multi-agent architecture for mobile device operation assistance. The architecture comprises three agents: planning agent, decision agent, and reflection agent. The planning agent condenses lengthy, interleaved image-text history operations and screens summaries into a pure-text task progress, which is then passed on to the decision agent. This reduction in context length makes it easier for decision agent to navigate the task progress. To retain focus content, we design a memory unit that updates with task progress by decision agent. Additionally, to correct erroneous operations, the reflection agent observes the outcomes of each operation and handles any mistake accordingly. Experimental results indicate that Mobile-Agent-v2 achieves over a 30% improvement in task completion compared to the single-agent architecture of Mobile-Agent. The code is open-sourced at https://github.com/X-PLUG/MobileAgent.
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To predict future trajectories, the normalizing flow with a standard Gaussian prior suffers from weak diversity. The ineffectiveness comes from the conflict between the fact of asymmetric and multi-modal distribution of likely outcomes and symmetric and single-modal original distribution and supervision losses. Instead, we propose constructing a mixed Gaussian prior for a normalizing flow model for trajectory prediction. The prior is constructed by analyzing the trajectory patterns in the training samples without requiring extra annotations while showing better expressiveness and being multi-modal and asymmetric. Besides diversity, it also provides better controllability for probabilistic trajectory generation. We name our method Mixed Gaussian Flow (MGF). It achieves state-of-the-art performance in the evaluation of both trajectory alignment and diversity on the popular UCY/ETH and SDD datasets. Code is available at https://github.com/mulplue/MGF.
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With the explosive growth of available training data, single-image 3D human modeling is ahead of a transition to a data-centric paradigm. A key to successfully exploiting data scale is to design flexible models that can be supervised from various heterogeneous data sources produced by different researchers or vendors. To this end, we propose a simple yet powerful paradigm for seamlessly unifying different human pose and shape-related tasks and datasets. Our formulation is centered on the ability - both at training and test time - to query any arbitrary point of the human volume, and obtain its estimated location in 3D. We achieve this by learning a continuous neural field of body point localizer functions, each of which is a differently parameterized 3D heatmap-based convolutional point localizer (detector). For generating parametric output, we propose an efficient post-processing step for fitting SMPL-family body models to nonparametric joint and vertex predictions. With this approach, we can naturally exploit differently annotated data sources including mesh, 2D/3D skeleton and dense pose, without having to convert between them, and thereby train large-scale 3D human mesh and skeleton estimation models that outperform the state-of-the-art on several public benchmarks including 3DPW, EMDB, EHF, SSP-3D and AGORA by a considerable margin. We release our code and models to foster downstream research.
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The remarkable instruction-following capability of large language models (LLMs) has sparked a growing interest in automatically finding good prompts, i.e., prompt optimization. Most existing works follow the scheme of selecting from a pre-generated pool of candidate prompts. However, these designs mainly focus on the generation strategy, while limited attention has been paid to the selection method. Especially, the cost incurred during the selection (e.g., accessing LLM and evaluating the responses) is rarely explicitly considered. To overcome this limitation, this work provides a principled framework, TRIPLE, to efficiently perform prompt selection under an explicit budget constraint. TRIPLE is built on a novel connection established between prompt optimization and fixed-budget best arm identification (BAI-FB) in multi-armed bandits (MAB); thus, it is capable of leveraging the rich toolbox from BAI-FB systematically and also incorporating unique characteristics of prompt optimization. Extensive experiments on multiple well-adopted tasks using various LLMs demonstrate the remarkable performance improvement of TRIPLE over baselines while satisfying the limited budget constraints. As an extension, variants of TRIPLE are proposed to efficiently select examples for few-shot prompts, also achieving superior empirical performance.
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The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures. Unfortunately, Best-of-N requires vastly more resources at inference time than standard decoding strategies, which makes it computationally not viable. In this work, we introduce Speculative Rejection, a computationally-viable inference-time alignment algorithm. It generates high-scoring responses according to a given reward model, like Best-of-N does, while being between 16 to 32 times more computationally efficient.
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Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are either inefficient or only concerned with the target-agnostic design of 1D sequences. In this paper, we propose a generative model for full-atom Peptide design with Geometric LAtent Diffusion (PepGLAD) given the binding site. We first establish a benchmark consisting of both 1D sequences and 3D structures from Protein Data Bank (PDB) and literature for systematic evaluation. We then identify two major challenges of leveraging current diffusion-based models for peptide design: the full-atom geometry and the variable binding geometry. To tackle the first challenge, PepGLAD derives a variational autoencoder that first encodes full-atom residues of variable size into fixed-dimensional latent representations, and then decodes back to the residue space after conducting the diffusion process in the latent space. For the second issue, PepGLAD explores a receptor-specific affine transformation to convert the 3D coordinates into a shared standard space, enabling better generalization ability across different binding shapes. Experimental Results show that our method not only improves diversity and binding affinity significantly in the task of sequence-structure co-design, but also excels at recovering reference structures for binding conformation generation.
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3D Gaussian splatting has recently emerged as a promising technique for novel view synthesis from sparse image sets, yet comes at the cost of requiring millions of 3D Gaussian primitives to reconstruct each 3D scene. This largely limits its application to resource-constrained devices and applications. Despite advances in Gaussian pruning techniques that aim to remove individual 3D Gaussian primitives, the significant reduction in primitives often fails to translate into commensurate increases in rendering speed, impeding efficiency and practical deployment. We identify that this discrepancy arises due to the overlooked impact of fragment count per Gaussian (i.e., the number of pixels each Gaussian is projected onto). To bridge this gap and meet the growing demands for efficient on-device 3D Gaussian rendering, we propose fragment pruning, an orthogonal enhancement to existing pruning methods that can significantly accelerate rendering by selectively pruning fragments within each Gaussian. Our pruning framework dynamically optimizes the pruning threshold for each Gaussian, markedly improving rendering speed and quality. Extensive experiments in both static and dynamic scenes validate the effectiveness of our approach. For instance, by integrating our fragment pruning technique with state-of-the-art Gaussian pruning methods, we achieve up to a 1.71$\times$ speedup on an edge GPU device, the Jetson Orin NX, and enhance rendering quality by an average of 0.16 PSNR on the Tanks\&Temples dataset. Our code is available at https://github.com/GATECH-EIC/Fragment-Pruning.
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We present differentially private algorithms for high-dimensional mean estimation. Previous private estimators on distributions over $\mathbb{R}^d$ suffer from a curse of dimensionality, as they require $\Omega(d^{1/2})$ samples to achieve non-trivial error, even in cases where $O(1)$ samples suffice without privacy. This rate is unavoidable when the distribution is isotropic, namely, when the covariance is a multiple of the identity matrix. Yet, real-world data is often highly anisotropic, with signals concentrated on a small number of principal components. We develop estimators that are appropriate for such signals---our estimators are $(\varepsilon,\delta)$-differentially private and have sample complexity that is dimension-independent for anisotropic subgaussian distributions. Given $n$ samples from a distribution with known covariance-proxy $\Sigma$ and unknown mean $\mu$, we present an estimator $\hat{\mu}$ that achieves error, $\|\hat{\mu}-\mu\|_2\leq \alpha$, as long as $n\gtrsim \text{tr}(\Sigma)/\alpha^2+ \text{tr}(\Sigma^{1/2})/(\alpha\varepsilon)$. We show that this is the optimal sample complexity for this task up to logarithmic factors. Moreover, for the case of unknown covariance, we present an algorithm whose sample complexity has improved dependence on the dimension, from $d^{1/2}$ to $d^{1/4}$.
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Driven by the rapid development of Large Language Models (LLMs), LLM-based agents have been developed to handle various real-world applications, including finance, healthcare, and shopping, etc. It is crucial to ensure the reliability and security of LLM-based agents during applications. However, the safety issues of LLM-based agents are currently under-explored. In this work, we take the first step to investigate one of the typical safety threats, backdoor attack, to LLM-based agents. We first formulate a general framework of agent backdoor attacks, then we present a thorough analysis of different forms of agent backdoor attacks. Specifically, compared with traditional backdoor attacks on LLMs that are only able to manipulate the user inputs and model outputs, agent backdoor attacks exhibit more diverse and covert forms: (1) From the perspective of the final attacking outcomes, the agent backdoor attacker can not only choose to manipulate the final output distribution, but also introduce the malicious behavior in an intermediate reasoning step only, while keeping the final output correct. (2) Furthermore, the former category can be divided into two subcategories based on trigger locations, in which the backdoor trigger can either be hidden in the user query or appear in an intermediate observation returned by the external environment. We implement the above variations of agent backdoor attacks on two typical agent tasks including web shopping and tool utilization. Extensive experiments show that LLM-based agents suffer severely from backdoor attacks and such backdoor vulnerability cannot be easily mitigated by current textual backdoor defense algorithms. This indicates an urgent need for further research on the development of targeted defenses against backdoor attacks on LLM-based agents. Warning: This paper may contain biased content.
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Human visual search ability enables efficient and accurate tracking of an arbitrary moving target, which is a significant research interest in cognitive neuroscience. The recently proposed Central-Peripheral Dichotomy (CPD) theory sheds light on how humans effectively process visual information and track moving targets in complex environments. However, existing visual object tracking algorithms still fall short of matching human performance in maintaining tracking over time, particularly in complex scenarios requiring robust visual search skills. These scenarios often involve Spatio-Temporal Discontinuities (i.e., STDChallenge), prevalent in long-term tracking and global instance tracking. To address this issue, we conduct research from a human-like modeling perspective: (1) Inspired by the CPD, we pro- pose a new tracker named CPDTrack to achieve human-like visual search ability. The central vision of CPDTrack leverages the spatio-temporal continuity of videos to introduce priors and enhance localization precision, while the peripheral vision improves global awareness and detects object movements. (2) To further evaluate and analyze STDChallenge, we create the STDChallenge Benchmark. Besides, by incorporating human subjects, we establish a human baseline, creating a high- quality environment specifically designed to assess trackers’ visual search abilities in videos across STDChallenge. (3) Our extensive experiments demonstrate that the proposed CPDTrack not only achieves state-of-the-art (SOTA) performance in this challenge but also narrows the behavioral differences with humans. Additionally, CPDTrack exhibits strong generalizability across various challenging benchmarks. In summary, our research underscores the importance of human-like modeling and offers strategic insights for advancing intelligent visual target tracking. Code and models are available at https://github.com/ZhangDailing8/CPDTrack.
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We introduce \textbf{N}on-\textbf{Euc}lidean-\textbf{MDS} (Neuc-MDS), which extends Multidimensional Scaling (MDS) to generate outputs that can be non-Euclidean and non-metric. The main idea is to generalize the inner product to other symmetric bilinear forms to utilize the negative eigenvalues of dissimiliarity Gram matrices. Neuc-MDS efficiently optimizes the choice of (both positive and negative) eigenvalues of the dissimilarity Gram matrix to reduce STRESS, the sum of squared pairwise error. We provide an in-depth error analysis and proofs of the optimality in minimizing lower bounds of STRESS. We demonstrate Neuc-MDS's ability to address limitations of classical MDS raised by prior research, and test it on various synthetic and real-world datasets in comparison with both linear and non-linear dimension reduction methods.
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Cross-Validation (CV) is the default choice for estimate the out-of-sample performance of machine learning models. Despite its wide usage, their statistical benefits have remained half-understood, especially in challenging nonparametric regimes. In this paper we fill in this gap and show that, in terms of estimating the out-of-sample performances, for a wide spectrum of models, CV does not statistically outperform the simple ``plug-in'' approach where one reuses training data for testing evaluation. Specifically, in terms of both the asymptotic bias and coverage accuracy of the associated interval for out-of-sample evaluation, $K$-fold CV provably cannot outperform plug-in regardless of the rate at which the parametric or nonparametric models converge. Leave-one-out CV can have a smaller bias as compared to plug-in; however, this bias improvement is negligible compared to the variability of the evaluation, and in some important cases leave-one-out again does not outperform plug-in once this variability is taken into account. We obtain our theoretical comparisons via a novel higher-order Taylor analysis that dissects the limit theorems of testing evaluations, which applies to model classes that are not amenable to previously known sufficient conditions. Our numerical results demonstrate that plug-in performs indeed no worse than CV in estimating model performance across a wide range of examples.
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Target-Guided Adversarial Point Cloud Transformer Towards Recognition Against Real-world Corruptions
Achieving robust 3D perception in the face of corrupted data presents an challenging hurdle within 3D vision research. Contemporary transformer-based point cloud recognition models, albeit advanced, tend to overfit to specific patterns, consequently undermining their robustness against corruption. In this work, we introduce the Target-Guided Adversarial Point Cloud Transformer, termed APCT, a novel architecture designed to augment global structure capture through an adversarial feature erasing mechanism predicated on patterns discerned at each step during training. Specifically, APCT integrates an Adversarial Significance Identifier and a Target-guided Promptor. The Adversarial Significance Identifier, is tasked with discerning token significance by integrating global contextual analysis, utilizing a structural salience index algorithm alongside an auxiliary supervisory mechanism. The Target-guided Promptor, is responsible for accentuating the propensity for token discard within the self-attention mechanism, utilizing the value derived above, consequently directing the model attention towards alternative segments in subsequent stages. By iteratively applying this strategy in multiple steps during training, the network progressively identifies and integrates an expanded array of object-associated patterns. Extensive experiments demonstrate that our method achieves state-of-the-art results on multiple corruption benchmarks.
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In this paper, we introduce faster accelerated primal-dual algorithms for minimizing a convex function subject to strongly convex function constraints. Prior to our work, the best complexity bound was $\mathcal{O}(1/{\varepsilon})$, regardless of the strong convexity of the constraint function. It is unclear whether the strong convexity assumption can enable even better convergence results. To address this issue, we have developed novel techniques to progressively estimate the strong convexity of the Lagrangian function. Our approach, for the first time, effectively leverages the constraint strong convexity, obtaining an improved complexity of $\mathcal{O}(1/\sqrt{\varepsilon})$. This rate matches the complexity lower bound for strongly-convex-concave saddle point optimization and is therefore order-optimal. We show the superior performance of our methods in sparsity-inducing constrained optimization, notably Google's personalized PageRank problem. Furthermore, we show that a restarted version of the proposed methods can effectively identify the optimal solution's sparsity pattern within a finite number of steps, a result that appears to have independent significance.
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The sampling problem under local differential privacy has recently been studied with potential applications to generative models, but a fundamental analysis of its privacy-utility trade-off (PUT) remains incomplete. In this work, we define the fundamental PUT of private sampling in the minimax sense, using the $f$-divergence between original and sampling distributions as the utility measure. We characterize the exact PUT for both finite and continuous data spaces under some mild conditions on the data distributions, and propose sampling mechanisms that are universally optimal for all $f$-divergences. Our numerical experiments demonstrate the superiority of our mechanisms over baselines, in terms of theoretical utilities for finite data space and of empirical utilities for continuous data space.
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Graph generation has been dominated by autoregressive models due to their simplicity and effectiveness, despite their sensitivity to ordering. Yet diffusion models have garnered increasing attention, as they offer comparable performance while being permutation-invariant. Current graph diffusion models generate graphs in a one-shot fashion, but they require extra features and thousands of denoising steps to achieve optimal performance. We introduce PARD, a Permutation-invariant Auto Regressive Diffusion model that integrates diffusion models with autoregressive methods. PARD harnesses the effectiveness and efficiency of the autoregressive model while maintaining permutation invariance without ordering sensitivity. Specifically, we show that contrary to sets, elements in a graph are not entirely un-ordered and there is a unique partial order for nodes and edges. With this partial order, PARD generates a graph in a block-by-block, autoregressive fashion, where each block’s probability is conditionally modeled by a shared diffusion model with an equivariant network. To ensure efficiency while being expressive, we further propose a higher-order graph transformer, which integrates transformer with PPGN (Maronet al., 2019). Like GPT, we extend the higher-order graph transformer to support parallel training of all blocks. Without any extra features, PARD achieves state-of-the-art performance on molecular and non-molecular datasets, and scales to large datasets like MOSES containing 1.9M molecules.
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Reinforcement Learning (RL) problem with general utility is a powerful decision making framework that covers standard RL with cumulative cost, exploration problems, and demonstration learning. Existing works on RL with general utility do not consider the robustness under environmental perturbation, which is important to adapt RL system in the real-world environment that differs from the training environment. To train a robust policy, we propose a robust RL framework with general utility, which subsumes many existing RL frameworks including RL, robust RL, RL with general utility, constrained RL, robust constrained RL, pure exploration, robust entropy regularized RL, etc. Then we focus on popular convex utility functions, with which our proposed learning framework is a challenging nonconvex-nonconcave minimax optimization problem, and design a two-phase stochastic policy gradient type algorithm and obtain its sample complexity result for gradient convergence. Furthermore, for convex utility on a widely used polyhedral ambiguity set, we design an algorithm and obtain its convergence rate to a global optimal solution.
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The classical theory of statistical estimation aims to estimate a parameter of interest under data generated from a fixed design (''offline estimation''), while the contemporary theory of online learning provides algorithms for estimation under adaptively chosen covariates (''online estimation''). Motivated by connections between estimation and interactive decision making, we ask: is it possible to convert offline estimation algorithms into online estimation algorithms in a black-box fashion? We investigate this question from an information-theoretic perspective by introducing a new framework, Oracle-Efficient Online Estimation (OEOE), where the learner can only interact with the data stream indirectly through a sequence of offline estimators produced by a black-box algorithm operating on the stream. Our main results settle the statistical and computational complexity of online estimation in this framework. $\bullet$ Statistical complexity. We show that information-theoretically, there exist algorithms that achieve near-optimal online estimation error via black-box offline estimation oracles, and give a nearly-tight characterization for minimax rates in the OEOE framework. $\bullet$ Computational complexity. We show that the guarantees above cannot be achieved in a computationally efficient fashion in general, but give a refined characterization for the special case of conditional density estimation: computationally efficient online estimation via black-box offline estimation is possible whenever it is possible via unrestricted algorithms. Finally, we apply our results to give offline oracle-efficient algorithms for interactive decision making.
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Recently, diffusion models have garnered significant interest in the field of text processing due to their many potential advantages compared to conventional autoregressive models. In this work, we propose Diffusion-of-Thought (DoT), a novel approach that integrates diffusion models with Chain-of-Thought, a well-established technique for improving the reasoning ability of autoregressive language models. In contrast to autoregressive language models that make decisions in a left-to-right, token-by-token manner, DoT allows reasoning steps to diffuse over time through a diffusion language model and offers greater flexibility in trading-off computation for reasoning performance. Our experimental results demonstrate the effectiveness of DoT in multi-digit multiplication, boolean logic, and grade school math problems. In addition to that, DoT showcases promising self-correction abilities and benefits from existing reasoning-enhancing techniques like self-consistency decoding. Our findings contribute to the understanding and development of reasoning with diffusion language models.
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We propose a novel stochastic bandit algorithm that employs reward estimates using a tree ensemble model. Specifically, our focus is on a soft tree model, a variant of the conventional decision tree that has undergone both practical and theoretical scrutiny in recent years. By deriving several non-trivial properties of soft trees, we extend the existing analytical techniques used for neural bandit algorithms to our soft tree-based algorithm. We demonstrate that our algorithm achieves a smaller cumulative regret compared to the existing ReLU-based neural bandit algorithms. We also show that this advantage comes with a trade-off: the hypothesis space of the soft tree ensemble model is more constrained than that of a ReLU-based neural network.
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Diffusion models, a specific type of generative model, have achieved unprecedented performance in recent years and consistently produce high-quality synthetic samples. A critical prerequisite for their notable success lies in the presence of a substantial number of training samples, which can be impractical in real-world applications due to high collection costs or associated risks. Consequently, various finetuning and regularization approaches have been proposed to transfer knowledge from existing pre-trained models to specific target domains with limited data. This paper introduces the Transfer Guided Diffusion Process (TGDP), a novel approach distinct from conventional finetuning and regularization methods. We prove that the optimal diffusion model for the target domain integrates pre-trained diffusion models on the source domain with additional guidance from a domain classifier. We further extend TGDP to a conditional version for modeling the joint distribution of data and its corresponding labels, together with two additional regularization terms to enhance the model performance. We validate the effectiveness of TGDP on both simulated and real-world datasets.
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This work presents a modification of the self-attention dynamics proposed in Geshkovski et al to better reflect the practically relevant, causally masked attention used in transformer architectures for generative AI. This modification translates into an interacting particle system that cannot be interpreted as a mean-field gradient flow. Despite this loss of structure, we significantly strengthen the results of Geshkovski et al in this context: While previous rigorous results focused on cases where all three matrices (key, query, and value) were scaled identities, we prove asymptotic convergence to a single cluster for arbitrary key-query matrices and value matrix equal to the identity. Additionally, we establish a connection to the classical R\'enyi parking problem from combinatorial geometry to make initial theoretical steps towards demonstrating the existence of meta-stable states.
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In this paper, we formalize the active set ordering problem, which involves actively discovering a set of inputs based on their orderings determined by expensive evaluations of a blackbox function. We then propose the mean prediction (MP) algorithm and theoretically analyze it in terms of the regret of predicted pairwise orderings between inputs. Notably, as a special case of this framework, we can cast Bayesian optimization as an active set ordering problem by recognizing that maximizers can be identified solely by comparison rather than by precisely estimating the function evaluations. As a result, we are able to construct the popular Gaussian process upper confidence bound (GP-UCB) algorithm through the lens of ordering with several nuanced insights. We empirically validate the performance of our proposed solution using various synthetic functions and real-world datasets.
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Label Distribution Learning (LDL) has been extensively studied in IID data applications such as computer vision, thanks to its more generic setting over single-label and multi-label classification. This paper advances LDL into graph domains and aims to tackle a novel and fundamental heterogeneous graph label distribution learning (HGDL) problem. We argue that the graph heterogeneity reflected on node types, node attributes, and neighborhood structures can impose significant challenges for generalizing LDL onto graphs. To address the challenges, we propose a new learning framework with two key components: 1) proactive graph topology homogenization, and 2) topology and content consistency-aware graph transformer. Specifically, the former learns optimal information aggregation between meta-paths, so that the node heterogeneity can be proactively addressed prior to the succeeding embedding learning; the latter leverages an attention mechanism to learn consistency between meta-path and node attributes, allowing network topology and nodal attributes to be equally emphasized during the label distribution learning. By using KL-divergence and additional constraints, \method~delivers an end-to-end solution for learning and predicting label distribution for nodes. Both theoretical and empirical studies substantiate the effectiveness of our HGDL approach. Our code and datasets are available at https://github.com/Listener-Watcher/HGDL.
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The prohibitive sizes of Large Language Models (LLMs) today make it difficult to deploy them on memory-constrained edge devices. This work introduces $\rm CALDERA$ -- a new post-training LLM compression algorithm that harnesses the inherent low-rank structure of a weight matrix $\mathbf{W}$ by approximating it via a low-rank, low-precision decomposition as $\mathbf{W} \approx \mathbf{Q} + \mathbf{L}\mathbf{R}$. Here, $\mathbf{L}$ and $\mathbf{R}$ are low rank factors, and the entries of $\mathbf{Q}$, $\mathbf{L}$ and $\mathbf{R}$ are quantized. The model is compressed by substituting each layer with its $\mathbf{Q} + \mathbf{L}\mathbf{R}$ decomposition, and the zero-shot performance of the compressed model is evaluated. Additionally, $\mathbf{L}$ and $\mathbf{R}$ are readily amenable to low-rank adaptation, consequently enhancing the zero-shot performance. $\rm CALDERA$ obtains this decomposition by formulating it as an optimization problem $\min_{\mathbf{Q},\mathbf{L},\mathbf{R}}\lVert(\mathbf{Q} + \mathbf{L}\mathbf{R} - \mathbf{W})\mathbf{X}^\top\rVert_{\rm F}^2$, where $\mathbf{X}$ is the calibration data, and $\mathbf{Q}, \mathbf{L}, \mathbf{R}$ are constrained to be representable using low-precision formats. Theoretical upper bounds on the approximation error of $\rm CALDERA$ are established using a rank-constrained regression framework, and the tradeoff between compression ratio and model performance is studied by analyzing the impact of target rank and quantization bit budget. Results illustrate that compressing LlaMa-$2$ $7$B/$13$B/$70$B and LlaMa-$3$ $8$B models obtained using $\rm CALDERA$ outperforms existing post-training LLM compression techniques in the regime of less than $2.5$ bits per parameter.
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Recent successes in natural language processing have led to the proliferation of large language models (LLMs) by multiple providers. Each LLM offering has different inference accuracy, monetary cost, and latency, and their accuracy further depends on the exact wording of the question (i.e., the specific prompt). At the same time, users often have a limit on monetary budget and latency to answer all their questions, and they do not know which LLMs to choose for each question to meet their accuracy and long term budget requirements. To navigate this rich design space, we propose TREACLE (Thrifty Reasoning via Context-Aware LLM and Prompt Selection), a reinforcement learning policy that jointly selects the model and prompting scheme while respecting the user's monetary cost and latency constraints. TREACLE uses the problem context, including question text embeddings (reflecting the type or difficulty of a query) and the response history (reflecting the consistency of previous responses) to make smart decisions. Our evaluations on standard reasoning datasets (GSM8K, CSQA, and LLC) with various LLMs and prompts show that TREACLE enables cost savings of up to 85% compared to baselines, while maintaining high accuracy. Importantly, it provides the user with the ability to gracefully trade off accuracy for cost.
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Look-up tables(LUTs)-based methods have recently shown enormous potential in image restoration tasks, which are capable of significantly accelerating the inference. However, the size of LUT exhibits exponential growth with the convolution kernel size, creating a storage bottleneck for its broader application on edge devices. Here, we address the storage explosion challenge to promote the capacity of mapping the complex CNN models by LUT. We introduce an innovative separable mapping strategy to achieve over $7\times$ storage reduction, transforming the storage from exponential dependence on kernel size to a linear relationship. Moreover, we design a dynamic discretization mechanism to decompose the activation and compress the quantization scale that further shrinks the LUT storage by $4.48\times$. As a result, the storage requirement of our proposed TinyLUT is around 4.1\% of MuLUT-SDY-X2 and amenable to on-chip cache, yielding competitive accuracy with over $5\times$ lower inference latency on Raspberry 4B than FSRCNN. Our proposed TinyLUT enables superior inference speed on edge devices with new state-of-the-art accuracy on both of image super-resolution and denoising, showcasing the potential of applying this method to various image restoration tasks at the edge. The codes are available at: https://github.com/Jonas-KD/TinyLUT.
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Selecting high-quality data for pre-training is crucial in shaping the downstream task performance of language models. A major challenge lies in identifying this optimal subset, a problem generally considered intractable, thus necessitating scalable and effective heuristics. In this work, we propose a data selection method, CoLoR-Filter (Conditional Loss Reduction Filtering), which leverages an empirical Bayes-inspired approach to derive a simple and computationally efficient selection criterion based on the relative loss values of two auxiliary models. In addition to the modeling rationale, we evaluate CoLoR-Filter empirically on two language modeling tasks: (1) selecting data from C4 for domain adaptation to evaluation on Books and (2) selecting data from C4 for a suite of downstream multiple-choice question answering tasks. We demonstrate favorable scaling both as we subselect more aggressively and using small auxiliary models to select data for large target models. As one headline result, CoLoR-Filter data selected using a pair of 150m parameter auxiliary models can train a 1.2b parameter target model to match a 1.2b parameter model trained on 25b randomly selected tokens with 25x less data for Books and 11x less data for the downstream tasks. Code: https://github.com/davidbrandfonbrener/color-filter-olmo Filtered data: https://huggingface.co/datasets/davidbrandfonbrener/color-filtered-c4
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Even for simple arithmetic tasks like integer addition, it is challenging for Transformers to generalize to longer sequences than those encountered during training. To tackle this problem, we propose *position coupling*, a simple yet effective method that directly embeds the structure of the tasks into the positional encoding of a (decoder-only) Transformer. Taking a departure from the vanilla absolute position mechanism assigning unique position IDs to each of the tokens, we assign the same position IDs to two or more "relevant" tokens; for integer addition tasks, we regard digits of the same significance as in the same position. On the empirical side, we show that with the proposed position coupling, our models trained on 1 to 30-digit additions can generalize up to *200-digit* additions (6.67x of the trained length). On the theoretical side, we prove that a 1-layer Transformer with coupled positions can solve the addition task involving exponentially many digits, whereas any 1-layer Transformer without positional information cannot entirely solve it. We also demonstrate that position coupling can be applied to other algorithmic tasks such as Nx2 multiplication and a two-dimensional task. Our codebase is available at [github.com/HanseulJo/position-coupling](https://github.com/HanseulJo/position-coupling).
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Invisible watermarks safeguard images' copyrights by embedding hidden messages only detectable by owners. They also prevent people from misusing images, especially those generated by AI models. We propose a family of regeneration attacks to remove these invisible watermarks. The proposed attack method first adds random noise to an image to destroy the watermark and then reconstructs the image. This approach is flexible and can be instantiated with many existing image-denoising algorithms and pre-trained generative models such as diffusion models. Through formal proofs and extensive empirical evaluations, we demonstrate that pixel-level invisible watermarks are vulnerable to this regeneration attack. Our results reveal that, across four different pixel-level watermarking schemes, the proposed method consistently achieves superior performance compared to existing attack techniques, with lower detection rates and higher image quality. However, watermarks that keep the image semantically similar can be an alternative defense against our attacks. Our finding underscores the need for a shift in research/industry emphasis from invisible watermarks to semantic-preserving watermarks. Code is available at https://github.com/XuandongZhao/WatermarkAttacker
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Recent advancements in diffusion models and diffusion bridges primarily focus on finite-dimensional spaces, yet many real-world problems necessitate operations in infinite-dimensional function spaces for more natural and interpretable formulations. In this paper, we present a theory of stochastic optimal control (SOC) tailored to infinite-dimensional spaces, aiming to extend diffusion-based algorithms to function spaces. Specifically, we demonstrate how Doob’s $h$-transform, the fundamental tool for constructing diffusion bridges, can be derived from the SOC perspective and expanded to infinite dimensions. This expansion presents a challenge, as infinite-dimensional spaces typically lack closed-form densities. Leveraging our theory, we establish that solving the optimal control problem with a specific objective function choice is equivalent to learning diffusion-based generative models. We propose two applications: 1) learning bridges between two infinite-dimensional distributions and 2) generative models for sampling from an infinite-dimensional distribution. Our approach proves effective for diverse problems involving continuous function space representations, such as resolution-free images, time-series data, and probability density functions.
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A fundamental notion of distance between train and test distributions from the field of domain adaptation is discrepancy distance. While in general hard to compute, here we provide the first set of provably efficient algorithms for testing *localized* discrepancy distance, where discrepancy is computed with respect to a fixed output classifier. These results imply a broad set of new, efficient learning algorithms in the recently introduced model of Testable Learning with Distribution Shift (TDS learning) due to Klivans et al. (2023). Our approach generalizes and improves all prior work on TDS learning: (1) we obtain *universal* learners that succeed simultaneously for large classes of test distributions, (2) achieve near-optimal error rates, and (3) give exponential improvements for constant depth circuits. Our methods further extend to semi-parametric settings and imply the first positive results for low-dimensional convex sets. Additionally, we separate learning and testing phases and obtain algorithms that run in fully polynomial time at test time.
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Self-assessment of one’s choices, i.e., confidence, is the topic of many decision neuroscience studies. Computational models of confidence, however, are limited to specific scenarios such as between choices with the same value. Here we present a normative framework for modeling decision confidence that is generalizable to various tasks and experimental setups. We further drive the implications of our model from both theoretical and experimental points of view. Specifically, we show that our model maps to the planning as an inference framework where the objective function is maximizing the gained reward and information entropy of the policy. Moreover, we validate our model on two different psychophysics experiments and show its superiority over other approaches in explaining subjects' confidence reports.
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While the conditional sequence modeling with the transformer architecture has demonstrated its effectiveness in dealing with offline reinforcement learning (RL) tasks, it is struggle to handle out-of-distribution states and actions. Existing work attempts to address this issue by data augmentation with the learned policy or adding extra constraints with the value-based RL algorithm. However, these studies still fail to overcome the following challenges: (1) insufficiently utilizing the historical temporal information among inter-steps, (2) overlooking the local intra-step relationships among states, actions and return-to-gos (RTGs), (3) overfitting suboptimal trajectories with noisy labels. To address these challenges, we propose $\textbf{D}$ecision $\textbf{M}$amba ($\textbf{DM}$), a novel multi-grained state space model (SSM) with a self-evolving policy learning strategy. DM explicitly models the historical hidden state to extract the temporal information by using the mamba architecture. To capture the relationship among state-action-RTG triplets, a fine-grained SSM module is designed and integrated into the original coarse-grained SSM in mamba, resulting in a novel mamba architecture tailored for offline RL. Finally, to mitigate the overfitting issue on noisy trajectories, a self-evolving policy is proposed by using progressive regularization. The policy evolves by using its own past knowledge to refine the suboptimal actions, thus enhancing its robustness on noisy demonstrations. Extensive experiments on various tasks show that DM outperforms other baselines substantially.
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Deep reinforcement learning (RL) is a powerful approach to complex decision-making. However, one issue that limits its practical application is its brittleness, sometimes failing to train in the presence of small changes in the environment. Motivated by the success of zero-shot transfer—where pre-trained models perform well on related tasks—we consider the problem of selecting a good set of training tasks to maximize generalization performance across a range of tasks. Given the high cost of training, it is critical to select training tasks strategically, but not well understood how to do so. We hence introduce Model-Based Transfer Learning (MBTL), which layers on top of existing RL methods to effectively solve contextual RL problems. MBTL models the generalization performance in two parts: 1) the performance set point, modeled using Gaussian processes, and 2) performance loss (generalization gap), modeled as a linear function of contextual similarity. MBTL combines these two pieces of information within a Bayesian optimization (BO) framework to strategically select training tasks. We show theoretically that the method exhibits sublinear regret in the number of training tasks and discuss conditions to further tighten regret bounds. We experimentally validate our methods using urban traffic and standard continuous control benchmarks. The experimental results suggest that MBTL can achieve up to 50x improved sample efficiency compared with canonical independent training and multi-task training. Further experiments demonstrate the efficacy of BO and the insensitivity to the underlying RL algorithm and hyperparameters. This work lays the foundations for investigating explicit modeling of generalization, thereby enabling principled yet effective methods for contextual RL. Code is available at https://github.com/jhoon-cho/MBTL/.
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Warm-starting neural network training by initializing networks with previously learned weights is appealing, as practical neural networks are often deployed under a continuous influx of new data. However, it often leads to *loss of plasticity*, where the network loses its ability to learn new information, resulting in worse generalization than training from scratch. This occurs even under stationary data distributions, and its underlying mechanism is poorly understood. We develop a framework emulating real-world neural network training and identify noise memorization as the primary cause of plasticity loss when warm-starting on stationary data. Motivated by this, we propose **Direction-Aware SHrinking (DASH)**, a method aiming to mitigate plasticity loss by selectively forgetting memorized noise while preserving learned features. We validate our approach on vision tasks, demonstrating improvements in test accuracy and training efficiency.
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Researchers have been studying approaches to steer the behavior of Large Language Models (LLMs) and build personalized LLMs tailored for various applications. While fine-tuning seems to be a direct solution, it requires substantial computational resources and may significantly affect the utility of the original LLM. Recent endeavors have introduced more lightweight strategies, focusing on extracting ``steering vectors'' to guide the model's output toward desired behaviors by adjusting activations within specific layers of the LLM's transformer architecture. However, such steering vectors are directly extracted from the activations of human preference data and thus often lead to suboptimal results and occasional failures, especially in alignment-related scenarios. In this work, we propose an innovative approach that could produce more effective steering vectors through bi-directional preference optimization. Our method is designed to allow steering vectors to directly influence the generation probability of contrastive human preference data pairs, thereby offering a more precise representation of the target behavior. By carefully adjusting the direction and magnitude of the steering vector, we enabled personalized control over the desired behavior across a spectrum of intensities. Extensive experimentation across various open-ended generation tasks, particularly focusing on steering AI personas, has validated the efficacy of our approach. Moreover, we comprehensively investigate critical alignment-concerning scenarios, such as managing truthfulness, mitigating hallucination, and addressing jailbreaking attacks alongside their respective defenses. Remarkably, our method can still demonstrate outstanding steering effectiveness across these scenarios. Furthermore, we showcase the transferability of our steering vectors across different models/LoRAs and highlight the synergistic benefits of applying multiple vectors simultaneously. These findings significantly broaden the practicality and versatility of our proposed method.
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Extensive knowledge graphs (KGs) have been constructed to facilitate knowledge-driven tasks across various scenarios. However, existing work usually develops separate reasoning models for different KGs, lacking the ability to generalize and transfer knowledge across diverse KGs and reasoning settings. In this paper, we propose a prompt-based KG foundation model via in-context learning, namely KG-ICL, to achieve a universal reasoning ability. Specifically, we introduce a prompt graph centered with a query-related example fact as context to understand the query relation. To encode prompt graphs with the generalization ability to unseen entities and relations in queries, we first propose a unified tokenizer that maps entities and relations in prompt graphs to predefined tokens. Then, we propose two message passing neural networks to perform prompt encoding and KG reasoning, respectively. We conduct evaluation on 43 different KGs in both transductive and inductive settings. Results indicate that the proposed KG-ICL outperforms baselines on most datasets, showcasing its outstanding generalization and universal reasoning capabilities. The source code is accessible on GitHub: https://github.com/nju-websoft/KG-ICL.
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Large language models (LLMs) have demonstrated notable potential in conducting complex tasks and are increasingly utilized in various financial applications. However, high-quality sequential financial investment decision-making remains challenging. These tasks require multiple interactions with a volatile environment for every decision, demanding sufficient intelligence to maximize returns and manage risks. Although LLMs have been used to develop agent systems that surpass human teams and yield impressive investment returns, opportunities to enhance multi-source information synthesis and optimize decision-making outcomes through timely experience refinement remain unexplored. Here, we introduce FinCon, an LLM-based multi-agent framework tailored for diverse financial tasks. Inspired by effective real-world investment firm organizational structures, FinCon utilizes a manager-analyst communication hierarchy. This structure allows for synchronized cross-functional agent collaboration towards unified goals through natural language interactions and equips each agent with greater memory capacity than humans. Additionally, a risk-control component in FinCon enhances decision quality by episodically initiating a self-critiquing mechanism to update systematic investment beliefs. The conceptualized beliefs serve as verbal reinforcement for the future agent’s behavior and can be selectively propagated to the appropriate node that requires knowledge updates. This feature significantly improves performance while reducing unnecessary peer-to-peer communication costs. Moreover, FinCon demonstrates strong generalization capabilities in various financial tasks, including stock trading and portfolio management.
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Restless multi-armed bandits (RMAB) extend multi-armed bandits so arm pulls impact future arm states. Despite the success of RMABs, a key limiting assumption is the separability of rewards into a sum across arms. We address this deficiency by proposing restless-multi-armed bandit with global rewards (RMAB-G), a generalization of RMABs to global non-separable rewards. To solve RMAB-G, we develop the Linear-Whittle and Shapley-Whittle indices, which extend Whittle indices from RMABs to RMAB-Gs. We prove approximation bounds which demonstrate how Linear and Shapley-Whittle indices fail for non-linear rewards. To overcome this limitation, we propose two sets of adaptive policies: the first computes indices iteratively and the second combines indices with Monte-Carlo Tree Search (MCTS). Empirically, we demonstrate that adaptive policies outperform both pre-computed index policies and baselines in synthetic and real-world food rescue datasets.
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Large language models (LLMs) have advanced to encompass extensive knowledge across diverse domains. Yet controlling what a large language model should not know is important for ensuring alignment and thus safe use. However, accurately and efficiently unlearning knowledge from an LLM remains challenging due to the potential collateral damage caused by the fuzzy boundary between retention and forgetting, and the large computational requirements for optimization across state-of-the-art models with hundreds of billions of parameters. In this work, we present \textbf{Embedding-COrrupted (ECO) Prompts}, a lightweight unlearning framework for large language models to address both the challenges of knowledge entanglement and unlearning efficiency. Instead of relying on the LLM itself to unlearn, we enforce an unlearned state during inference by employing a prompt classifier to identify and safeguard prompts to forget. We learn corruptions added to prompt embeddings via zeroth order optimization toward the unlearning objective offline and corrupt prompts flagged by the classifier during inference. We find that these embedding-corrupted prompts not only lead to desirable outputs that satisfy the unlearning objective but also closely approximate the output from a model that has never been trained on the data intended for forgetting. Through extensive experiments on unlearning, we demonstrate the superiority of our method in achieving promising unlearning at \textit{nearly zero side effects} in general domains and domains closely related to the unlearned ones. Additionally, we highlight the scalability of our method to 100 LLMs, ranging from 0.5B to 236B parameters, incurring no additional cost as the number of parameters increases. We have made our code publicly available at \url{https://github.com/chrisliu298/llm-unlearn-eco}.
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Motivated by the problem of compressing point sets into as few bits as possible while maintaining information about approximate distances between points, we construct random nonlinear maps $\varphi_\ell$ that compress point sets in the following way. For a point set $S$, the map $\varphi_\ell:\mathbb{R}^d \to N^{-1/2}\{-1,1\}^N$ has the property that storing $\varphi_\ell(S)$ (a sketch of $S$) allows one to report squared distances between points up to some multiplicative $(1\pm \epsilon)$ error with high probability. The maps $\varphi_\ell$ are the $\ell$-fold composition of a certain type of random feature mapping. Compared to existing techniques, our maps offer several advantages. The standard method for compressing point sets by random mappings relies on the Johnson-Lindenstrauss lemma and involves compressing point sets with a random linear map. The main advantage of our maps $\varphi_\ell$ over random linear maps is that ours map point sets directly into the discrete cube $N^{-1/2}\{-1,1\}^N$ and so there is no additional step needed to convert the sketch to bits. For some range of parameters, our maps $\varphi_\ell$ produce sketches using fewer bits of storage space. We validate the method with experiments, including an application to nearest neighbor search.
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Conventional nonlinear RNNs are not naturally parallelizable across the sequence length, unlike transformers and linear RNNs. Lim et. al. therefore tackle parallelized evaluation of nonlinear RNNs, posing it as a fixed point problem solved with Newton's method. By deriving and applying a parallelized form of Newton's method, they achieve large speedups over sequential evaluation. However, their approach inherits cubic computational complexity and numerical instability. We tackle these weaknesses. To reduce the computational complexity, we apply quasi-Newton approximations and show they converge comparably, use less memory, and are faster, compared to full-Newton. To stabilize Newton's method, we leverage a connection between Newton's method damped with trust regions and Kalman smoothing. This connection allows us to stabilize the iteration, per the trust region, and use efficient parallelized Kalman algorithms to retain performance. We compare these methods empirically and highlight use cases where each algorithm excels.
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Generative text-to-image models enable us to synthesize unlimited amounts of images in a controllable manner, spurring many recent efforts to train vision models with synthetic data. However, every synthetic image ultimately originates from the upstream data used to train the generator. Does the intermediate generator provide additional information over directly training on relevant parts of the upstream data? Grounding this question in the setting of image classification, we compare finetuning on task-relevant, targeted synthetic data generated by Stable Diffusion---a generative model trained on the LAION-2B dataset---against finetuning on targeted real images retrieved directly from LAION-2B. We show that while synthetic data can benefit some downstream tasks, it is universally matched or outperformed by real data from the simple retrieval baseline. Our analysis suggests that this underperformance is partially due to generator artifacts and inaccurate task-relevant visual details in the synthetic images. Overall, we argue that targeted retrieval is a critical baseline to consider when training with synthetic data---a baseline that current methods do not yet surpass. We release code, data, and models at [https://github.com/scottgeng00/unmet-promise/](https://github.com/scottgeng00/unmet-promise).
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Computation graphs are Directed Acyclic Graphs (DAGs) where the nodes correspond to mathematical operations and are used widely as abstractions in optimizations of neural networks. The device placement problem aims to identify optimal allocations of those nodes to a set of (potentially heterogeneous) devices. Existing approaches rely on two types of architectures known as grouper-placer and encoder-placer, respectively. In this work, we bridge the gap between encoder-placer and grouper-placer techniques and propose a novel framework for the task of device placement, relying on smaller computation graphs extracted from the OpenVINO toolkit. The framework consists of five steps, including graph coarsening, node representation learning and policy optimization. It facilitates end-to-end training and takes into account the DAG nature of the computation graphs. We also propose a model variant, inspired by graph parsing networks and complex network analysis, enabling graph representation learning and jointed, personalized graph partitioning, using an unspecified number of groups. To train the entire framework, we use reinforcement learning using the execution time of the placement as a reward. We demonstrate the flexibility and effectiveness of our approach through multiple experiments with three benchmark models, namely Inception-V3, ResNet, and BERT. The robustness of the proposed framework is also highlighted through an ablation study. The suggested placements improve the inference speed for the benchmark models by up to $58.2\%$ over CPU execution and by up to $60.24\%$ compared to other commonly used baselines.
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Humans draw to facilitate reasoning: we draw auxiliary lines when solving geometry problems; we mark and circle when reasoning on maps; we use sketches to amplify our ideas and relieve our limited-capacity working memory. However, such actions are missing in current multimodal language models (LMs). Current chain-of-thought and tool-use paradigms only use text as intermediate reasoning steps. In this work, we introduce Sketchpad, a framework that gives multimodal LMs a visual sketchpad and tools to draw on the sketchpad. The LM conducts planning and reasoning according to the visual artifacts it has drawn. Different from prior work, which uses text-to-image models to enable LMs to draw, Sketchpad enables LMs to draw with lines, boxes, marks, etc., which is closer to human sketching and better facilitates reasoning. \name can also use specialist vision models during the sketching process (e.g., draw bounding boxes with object detection models, draw masks with segmentation models), to further enhance visual perception and reasoning. We experiment on a wide range of math tasks (including geometry, functions, graph, chess) and complex visual reasoning tasks. Sketchpad substantially improves performance on all tasks over strong base models with no sketching, yielding an average gain of 12.7% on math tasks, and 8.6% on vision tasks. GPT-4o with Sketchpad sets a new state of the art on all tasks, including V*Bench (80.3%), BLINK spatial reasoning (83.9%), and visual correspondence (80.8%). We will release all code and data.
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The constrained Markov decision process (CMDP) framework emerges as an important reinforcement learning approach for imposing safety or other critical objectives while maximizing cumulative reward. However, the current understanding of how to learn efficiently in a CMDP environment with a potentially infinite number of states remains under investigation, particularly when function approximation is applied to the value functions. In this paper, we address the learning problem given linear function approximation with $q_{\pi}$-realizability, where the value functions of all policies are linearly representable with a known feature map, a setting known to be more general and challenging than other linear settings. Utilizing a local-access model, we propose a novel primal-dual algorithm that, after $\tilde{O}(\text{poly}(d) \epsilon^{-3})$ iterations, outputs with high probability a policy that strictly satisfies the constraints while nearly optimizing the value with respect to a reward function. Here, $d$ is the feature dimension and $\epsilon > 0$ is a given error. The algorithm relies on a carefully crafted off-policy evaluation procedure to evaluate the policy using historical data, which informs policy updates through policy gradients and conserves samples. To our knowledge, this is the first result achieving polynomial sample complexity for CMDP in the $q_{\pi}$-realizable setting.
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We introduce GaussianCut, a new method for interactive multiview segmentation of scenes represented as 3D Gaussians. Our approach allows for selecting the objects to be segmented by interacting with a single view. It accepts intuitive user input, such as point clicks, coarse scribbles, or text. Using 3D Gaussian Splatting (3DGS) as the underlying scene representation simplifies the extraction of objects of interest which are considered to be a subset of the scene's Gaussians. Our key idea is to represent the scene as a graph and use the graph-cut algorithm to minimize an energy function to effectively partition the Gaussians into foreground and background. To achieve this, we construct a graph based on scene Gaussians and devise a segmentation-aligned energy function on the graph to combine user inputs with scene properties. To obtain an initial coarse segmentation, we leverage 2D image/video segmentation models and further refine these coarse estimates using our graph construction. Our empirical evaluations show the adaptability of GaussianCut across a diverse set of scenes. GaussianCut achieves competitive performance with state-of-the-art approaches for 3D segmentation without requiring any additional segmentation-aware training
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Sparse training stands as a landmark approach in addressing the considerable training resource demands imposed by the continuously expanding size of Deep Neural Networks (DNNs). However, the training of a sparse DNN encounters great challenges in achieving optimal generalization ability despite the efforts from the state-of-the-art sparse training methodologies. To unravel the mysterious reason behind the difficulty of sparse training, we connect the network sparsity with neural loss functions structure, and identify the cause of such difficulty lies in chaotic loss surface. In light of such revelation, we propose $S^{2} - SAM$, characterized by a **S**ingle-step **S**harpness_**A**ware **M**inimization that is tailored for **S**parse training. For the first time, $S^{2} - SAM$ innovates the traditional SAM-style optimization by approximating sharpness perturbation through prior gradient information, incurring *zero extra cost*. Therefore, $S^{2} - SAM$ not only exhibits the capacity to improve generalization but also aligns with the efficiency goal of sparse training. Additionally, we study the generalization result of $S^{2} - SAM$ and provide theoretical proof for convergence. Through extensive experiments, $S^{2} - SAM$ demonstrates its universally applicable plug-and-play functionality, enhancing accuracy across various sparse training methods. Code available at https://github.com/jjsrf/SSAM-NEURIPS2024.
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Current approaches using sequential networks have shown promise in estimating field variables for dynamical systems, but they are often limited by high rollout errors. The unresolved issue of rollout error accumulation results in unreliable estimations as the network predicts further into the future, with each step's error compounding and leading to an increase in inaccuracy. Here, we introduce the State-Exchange Attention (SEA) module, a novel transformer-based module enabling information exchange between encoded fields through multi-head cross-attention. The cross-field multidirectional information exchange design enables all state variables in the system to exchange information with one another, capturing physical relationships and symmetries between fields. Additionally, we introduce an efficient ViT-like mesh autoencoder to generate spatially coherent mesh embeddings for a large number of meshing cells. The SEA integrated transformer demonstrates the state-of-the-art rollout error compared to other competitive baselines. Specifically, we outperform PbGMR-GMUS Transformer-RealNVP and GMR-GMUS Transformer, with a reduction in error of 88% and 91%, respectively. Furthermore, we demonstrate that the SEA module alone can reduce errors by 97% for state variables that are highly dependent on other states of the system. The repository for this work is available at: https://github.com/ParsaEsmati/SEA
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Current PEFT methods for LLMs can achieve high quality, efficient training, or scalable serving, but not all three simultaneously. To address this limitation, we investigate sparse fine-tuning and observe a remarkable improvement in generalization ability. Utilizing this key insight, we propose a family of Structured Sparse Fine-Tuning (S${^2}$FT) methods for LLMs, which concurrently achieve state-of-the-art fine-tuning performance, training efficiency, and inference scalability. S${^2}$FT accomplishes this by "selecting sparsely and computing densely". Based on the coupled structures in LLMs, \model selects a few attention heads and channels in the MHA and FFN modules for each Transformer block, respectively. Next, it co-permutes the weight matrices on both sides of all coupled structures to connect the selected subsets in each layer into a dense submatrix. Finally, S${^2}$FT performs in-place gradient updates on all selected submatrices. Through theoretical analyses and empirical results, our method prevents forgetting while simplifying optimization, delivers SOTA performance on both commonsense and arithmetic reasoning with 4.6% and 1.3% average improvements compared to LoRA, and surpasses full FT by 11.5% when generalizing to various domains after instruction tuning. Using our partial back-propagation algorithm, S${^2}$FT saves training memory up to 3$\times$ and improves latency by 1.5-2.7$\times$ compared to full FT, while achieving an average 10\% improvement over LoRA on both metrics. We further demonstrate that the weight updates in S${^2}$FT can be decoupled into adapters, enabling effective fusion, fast switch, and efficient parallelism when serving multiple fine-tuned models.
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Despite the success of contrastive learning (CL) in vision and language, its theoretical foundations and mechanisms for building representations remain poorly understood. In this work, we build connections between noise contrastive estimation losses widely used in CL and distribution alignment with entropic optimal transport (OT). This connection allows us to develop a family of different losses and multistep iterative variants for existing CL methods. Intuitively, by using more information from the distribution of latents, our approach allows a more distribution-aware manipulation of the relationships within augmented sample sets. We provide theoretical insights and experimental evidence demonstrating the benefits of our approach for generalized contrastive alignment. Through this framework, it is possible to leverage tools in OT to build unbalanced losses to handle noisy views and customize the representation space by changing the constraints on alignment. By reframing contrastive learning as an alignment problem and leveraging existing optimization tools for OT, our work provides new insights and connections between different self-supervised learning models in addition to new tools that can be more easily adapted to incorporate domain knowledge into learning.
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Backdoor attacks aim to inject a backdoor into a classifier such that it predicts any input with an attacker-chosen backdoor trigger as an attacker-chosen target class. Existing backdoor attacks require either retraining the classifier with some clean data or modifying the model's architecture. As a result, they are 1) not applicable when clean data is unavailable, 2) less efficient when the model is large, and 3) less stealthy due to architecture changes. In this work, we propose DFBA, a novel retraining-free and data-free backdoor attack without changing the model architecture. Technically, our proposed method modifies a few parameters of a classifier to inject a backdoor. Through theoretical analysis, we verify that our injected backdoor is provably undetectable and unremovable by various state-of-the-art defenses under mild assumptions. Our evaluation on multiple datasets further demonstrates that our injected backdoor: 1) incurs negligible classification loss, 2) achieves 100\% attack success rates, and 3) bypasses six existing state-of-the-art defenses. Moreover, our comparison with a state-of-the-art non-data-free backdoor attack shows our attack is more stealthy and effective against various defenses while achieving less classification accuracy loss. We will release our code upon paper acceptance.
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How can diffusion models process 3D geometries in a coarse-to-fine manner, akin to our multiscale view of the world? In this paper, we address the question by focusing on a fundamental biochemical problem of generating 3D molecular conformers conditioned on molecular graphs in a multiscale manner. Our approach consists of two hierarchical stages: i) generation of coarse-grained fragment-level 3D structure from the molecular graph, and ii) generation of fine atomic details from the coarse-grained approximated structure while allowing the latter to be adjusted simultaneously. For the challenging second stage, which demands preserving coarse-grained information while ensuring SE(3) equivariance, we introduce a novel generative model termed Equivariant Blurring Diffusion (EBD), which defines a forward process that moves towards the fragment-level coarse-grained structure by blurring the fine atomic details of conformers, and a reverse process that performs the opposite operation using equivariant networks. We demonstrate the effectiveness of EBD by geometric and chemical comparison to state-of-the-art denoising diffusion models on a benchmark of drug-like molecules. Ablation studies draw insights on the design of EBD by thoroughly analyzing its architecture, which includes the design of the loss function and the data corruption process. Codes are released at https://github.com/Shen-Lab/EBD.
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Currently, vision encoder models like Vision Transformers (ViTs) typically excel at image recognition tasks but cannot simultaneously support text recognition like human visual recognition. To address this limitation, we propose UNIT, a novel training framework aimed at UNifying Image and Text recognition within a single model. Starting with a vision encoder pre-trained with image recognition tasks, UNIT introduces a lightweight language decoder for predicting text outputs and a lightweight vision decoder to prevent catastrophic forgetting of the original image encoding capabilities. The training process comprises two stages: intra-scale pretraining and inter-scale finetuning. During intra-scale pretraining, UNIT learns unified representations from multi-scale inputs, where images and documents are at their commonly used resolution, to enable fundamental recognition capability. In the inter-scale finetuning stage, the model introduces scale-exchanged data, featuring images and documents at resolutions different from the most commonly used ones, to enhance its scale robustness. Notably, UNIT retains the original vision encoder architecture, making it cost-free in terms of inference and deployment. Experiments across multiple benchmarks confirm that our method significantly outperforms existing methods on document-related tasks (e.g., OCR and DocQA) while maintaining the performances on natural images, demonstrating its ability to substantially enhance text recognition without compromising its core image recognition capabilities.
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When applying reinforcement learning from human feedback (RLHF), the reward is learned from data and, therefore, always has some error. It is common to mitigate this by regularizing the policy with KL divergence from a base model, with the hope that balancing reward with regularization will achieve desirable outcomes despite this reward misspecification. We show that when the reward function has light-tailed error, optimal policies under less restrictive KL penalties achieve arbitrarily high utility. However, if error is heavy-tailed, some policies obtain arbitrarily high reward despite achieving no more utility than the base model--a phenomenon we call catastrophic Goodhart. We adapt a discrete optimization method to measure the tails of reward models, finding that they are consistent with light-tailed error. However, the pervasiveness of heavy-tailed distributions in many real-world applications indicates that future sources of RL reward could have heavy-tailed error, increasing the likelihood of reward hacking even with KL regularization.
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Bayesian optimization is an effective technique for black-box optimization, but its applicability is typically limited to low-dimensional and small-budget problems due to the cubic complexity of computing the Gaussian process (GP) surrogate. While various approximate GP models have been employed to scale Bayesian optimization to larger sample sizes, most suffer from overly-smooth estimation and focus primarily on problems that allow for large online samples. In this work, we argue that Bayesian optimization algorithms with sparse GPs can more efficiently allocate their representational power to relevant regions of the search space. To achieve this, we propose focalized GP, which leverages a novel variational loss function to achieve stronger local prediction, as well as FocalBO, which hierarchically optimizes the focalized GP acquisition function over progressively smaller search spaces. Experimental results demonstrate that FocalBO can efficiently leverage large amounts of offline and online data to achieve state-of-the-art performance on robot morphology design and to control a 585-dimensional musculoskeletal system.
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We study transfer learning for estimation in latent variable network models. In our setting, the conditional edge probability matrices given the latent variables are represented by $P$ for the source and $Q$ for the target. We wish to estimate $Q$ given two kinds of data: (1) edge data from a subgraph induced by an $o(1)$ fraction of the nodes of $Q$, and (2) edge data from all of $P$. If the source $P$ has no relation to the target $Q$, the estimation error must be $\Omega(1)$. However, we show that if the latent variables are shared, then vanishing error is possible. We give an efficient algorithm that utilizes the ordering of a suitably defined graph distance. Our algorithm achieves $o(1)$ error and does not assume a parametric form on the source or target networks. Next, for the specific case of Stochastic Block Models we prove a minimax lower bound and show that a simple algorithm achieves this rate. Finally, we empirically demonstrate our algorithm's use on real-world and simulated graph transfer problems.
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In recent years, significant progress has been made in multi-objective reinforcement learning (RL) research, which aims to balance multiple objectives by incorporating preferences for each objective. In most existing studies, specific preferences must be provided during deployment to indicate the desired policies explicitly. However, designing these preferences depends heavily on human prior knowledge, which is typically obtained through extensive observation of high-performing demonstrations with expected behaviors. In this work, we propose a simple yet effective offline adaptation framework for multi-objective RL problems without assuming handcrafted target preferences, but only given several demonstrations to implicitly indicate the preferences of expected policies. Additionally, we demonstrate that our framework can naturally be extended to meet constraints on safety-critical objectives by utilizing safe demonstrations, even when the safety thresholds are unknown. Empirical results on offline multi-objective and safe tasks demonstrate the capability of our framework to infer policies that align with real preferences while meeting the constraints implied by the provided demonstrations.
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Prophet inequality concerns a basic optimal stopping problem and states that simple threshold stopping policies --- i.e., accepting the first reward larger than a certain threshold --- can achieve tight $\frac{1}{2}$-approximation to the optimal prophet value. Motivated by its economic applications, this paper studies the robustness of this approximation to natural strategic manipulations in which each random reward is associated with a self-interested player who may selectively reveal his realized reward to the searcher in order to maximize his probability of being selected. We say a threshold policy is $\alpha$(-strategically)-robust if it (a) achieves the $\alpha$-approximation to the prophet value for strategic players; and (b) meanwhile remains a $\frac{1}{2}$-approximation in the standard non-strategic setting. Starting with a characterization of each player's optimal information revealing strategy, we demonstrate the intrinsic robustness of prophet inequalities to strategic reward signaling through the following results: (1) for arbitrary reward distributions, there is a threshold policy that is $\frac{1-\frac{1}{e}}{2}$-robust, and this ratio is tight; (2) for i.i.d. reward distributions, there is a threshold policy that is $\frac{1}{2}$-robust, which is tight for the setting; and (3) for log-concave (but non-identical) reward distributions, the $\frac{1}{2}$-robustness can also be achieved under certain regularity assumptions.
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Teaching is a potentially effective approach for understanding interactions among multiple intelligences. Previous explorations have convincingly shown that teaching presents additional opportunities for observation and demonstration within the learning model, such as data distillation and selection. However, the underlying optimization principles and convergence of interactive teaching lack theoretical analysis, and in this regard co-teaching serves as a notable prototype. In this paper, we discuss its role as a reduction of the larger loss landscape derived from Sharpness-Aware Minimization (SAM). Then, we classify it as an iterative parameter estimation process using Expectation-Maximization. The convergence of this typical interactive teaching is achieved by continuously optimizing a variational lower bound on the log marginal likelihood. This lower bound represents the expected value of the log posterior distribution of the latent variables under a scaled, factorized variational distribution. To further enhance interactive teaching's performance, we incorporate SAM's strong generalization information into interactive teaching, referred as Sharpness Reduction Interactive Teaching (SRIT). This integration can be viewed as a novel sequential optimization process. Finally, we validate the performance of our approach through multiple experiments.
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Model-based reinforcement learning (MBRL) is a promising route to sample-efficient policy optimization. However, a known vulnerability of reconstruction-based MBRL consists of scenarios in which detailed aspects of the world are highly predictable, but irrelevant to learning a good policy. Such scenarios can lead the model to exhaust its capacity on meaningless content, at the cost of neglecting important environment dynamics. While existing approaches attempt to solve this problem, we highlight its continuing impact on leading MBRL methods ---including DreamerV3 and DreamerPro--- with a novel environment where background distractions are intricate, predictable, and useless for planning future actions. To address this challenge we develop a method for focusing the capacity of the world model through a synergy of a pretrained segmentation model, a task-aware reconstruction loss, and adversarial learning. Our method outperforms a variety of other approaches designed to reduce the impact of distractors, and is an advance towards robust model-based reinforcement learning.
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Understanding the semantics of individual regions or patches of unconstrained images, such as open-world object detection, remains a critical yet challenging task in computer vision. Building on the success of powerful image-level vision-language (ViL) foundation models like CLIP, recent efforts have sought to harness their capabilities by either training a contrastive model from scratch with an extensive collection of region-label pairs or aligning the outputs of a detection model with image-level representations of region proposals. Despite notable progress, these approaches are plagued by computationally intensive training requirements, susceptibility to data noise, and deficiency in contextual information. To address these limitations, we explore the synergistic potential of off-the-shelf foundation models, leveraging their respective strengths in localization and semantics. We introduce a novel, generic, and efficient architecture, named RegionSpot, designed to integrate position-aware localization knowledge from a localization foundation model (e.g., SAM) with semantic information from a ViL model (e.g., CLIP). To fully exploit pretrained knowledge while minimizing training overhead, we keep both foundation models frozen, focusing optimization efforts solely on a lightweight attention-based knowledge integration module. Extensive experiments in open-world object recognition show that our RegionSpot achieves significant performance gain over prior alternatives, along with substantial computational savings (e.g., training our model with 3 million data in a single day using 8 V100 GPUs). RegionSpot outperforms GLIP-L by 2.9 in mAP on LVIS val set, with an even larger margin of 13.1 AP for more challenging and rare categories, and a 2.5 AP increase on ODinW. Furthermore, it exceeds GroundingDINO-L by 11.0 AP for rare categories on the LVIS minival set.
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Reinforcement learning (RL) in large or infinite state spaces is notoriously challenging, both theoretically (where worst-case sample and computational complexities must scale with state space cardinality) and experimentally (where function approximation and policy gradient techniques often scale poorly and suffer from instability and high variance). One line of research attempting to address these difficulties makes the natural assumption that we are given a collection of base or *constituent* policies (possibly heuristic) upon which we would like to improve in a scalable manner. In this work we aim to compete with the *max-following policy*, which at each state follows the action of whichever constituent policy has the highest value. The max-following policy is always at least as good as the best constituent policy, and may be considerably better. Our main result is an efficient algorithm that learns to compete with the max-following policy, given only access to the constituent policies (but not their value functions). In contrast to prior work in similar settings, our theoretical results require only the minimal assumption of an ERM oracle for value function approximation for the constituent policies (and not the global optimal policy or the max-following policy itself) on samplable distributions. We illustrate our algorithm's experimental effectiveness and behavior on several robotic simulation testbeds.
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Accurate and robust 3D object detection is a critical component in autonomous vehicles and robotics. While recent radar-camera fusion methods have made significant progress by fusing information in the bird's-eye view (BEV) representation, they often struggle to effectively capture the motion of dynamic objects, leading to limited performance in real-world scenarios. In this paper, we introduce CRT-Fusion, a novel framework that integrates temporal information into radar-camera fusion to address this challenge. Our approach comprises three key modules: Multi-View Fusion (MVF), Motion Feature Estimator (MFE), and Motion Guided Temporal Fusion (MGTF). The MVF module fuses radar and image features within both the camera view and bird's-eye view, thereby generating a more precise unified BEV representation. The MFE module conducts two simultaneous tasks: estimation of pixel-wise velocity information and BEV segmentation. Based on the velocity and the occupancy score map obtained from the MFE module, the MGTF module aligns and fuses feature maps across multiple timestamps in a recurrent manner. By considering the motion of dynamic objects, CRT-Fusion can produce robust BEV feature maps, thereby improving detection accuracy and robustness. Extensive evaluations on the challenging nuScenes dataset demonstrate that CRT-Fusion achieves state-of-the-art performance for radar-camera-based 3D object detection. Our approach outperforms the previous best method in terms of NDS by +1.7%, while also surpassing the leading approach in mAP by +1.4%. These significant improvements in both metrics showcase the effectiveness of our proposed fusion strategy in enhancing the reliability and accuracy of 3D object detection.
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Conventional wisdom suggests that pre-training Vision Transformers (ViT) improves downstream performance by learning useful representations. Is this actually true? We investigate this question and find that the features and representations learned during pre-training are not essential. Surprisingly, using only the attention patterns from pre-training (i.e., guiding how information flows between tokens) is sufficient for models to learn high quality features from scratch and achieve comparable downstream performance. We show this by introducing a simple method called attention transfer, where only the attention patterns from a pre-trained teacher ViT are transferred to a student, either by copying or distilling the attention maps. Since attention transfer lets the student learn its own features, ensembling it with a fine-tuned teacher also further improves accuracy on ImageNet. We systematically study various aspects of our findings on the sufficiency of attention maps, including distribution shift settings where they underperform fine-tuning. We hope our exploration provides a better understanding of what pre-training accomplishes and leads to a useful alternative to the standard practice of fine-tuning.
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In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames. In this work, we introduce a canonicalization perspective that provides an essential and complete view of the design of frames. Canonicalization is a classic approach for attaining invariance by mapping inputs to their canonical forms. We show that there exists an inherent connection between frames and canonical forms. Leveraging this connection, we can efficiently compare the complexity of frames as well as determine the optimality of certain frames. Guided by this principle, we design novel frames for eigenvectors that are strictly superior to existing methods --- some are even optimal --- both theoretically and empirically. The reduction to the canonicalization perspective further uncovers equivalences between previous methods. These observations suggest that canonicalization provides a fundamental understanding of existing frame-averaging methods and unifies existing equivariant and invariant learning methods. Code is available at https://github.com/PKU-ML/canonicalization.
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Unsupervised skill discovery carries the promise that an intelligent agent can learn reusable skills through autonomous, reward-free interactions with environments. Existing unsupervised skill discovery methods learn skills by encouraging distinguishable behaviors that cover diverse states. However, in complex environments with many state factors (e.g., household environments with many objects), learning skills that cover all possible states is impossible, and naively encouraging state diversity often leads to simple skills that are not ideal for solving downstream tasks. This work introduces Skill Discovery from Local Dependencies (SkiLD), which leverages state factorization as a natural inductive bias to guide the skill learning process. The key intuition guiding SkiLD is that skills that induce \textbf{diverse interactions} between state factors are often more valuable for solving downstream tasks. To this end, SkiLD develops a novel skill learning objective that explicitly encourages the mastering of skills that effectively induce different interactions within an environment. We evaluate SkiLD in several domains with challenging, long-horizon sparse reward tasks including a realistic simulated household robot domain, where SkiLD successfully learns skills with clear semantic meaning and shows superior performance compared to existing unsupervised reinforcement learning methods that only maximize state coverage.
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The large communication and computation overhead of federated learning (FL) is one of the main challenges facing its practical deployment over resource-constrained clients and systems. In this work, SpaFL: a communication-efficient FL framework is proposed to optimize sparse model structures with low computational overhead. In SpaFL, a trainable threshold is defined for each filter/neuron to prune its all connected parameters, thereby leading to structured sparsity. To optimize the pruning process itself, only thresholds are communicated between a server and clients instead of parameters, thereby learning how to prune. Further, global thresholds are used to update model parameters by extracting aggregated parameter importance. The generalization bound of SpaFL is also derived, thereby proving key insights on the relation between sparsity and performance. Experimental results show that SpaFL improves accuracy while requiring much less communication and computing resources compared to sparse baselines. The code is available at https://github.com/news-vt/SpaFL_NeruIPS_2024
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Progress in human behavior modeling involves understanding both implicit, early-stage perceptual behavior, such as human attention, and explicit, later-stage behavior, such as subjective preferences or likes. Yet most prior research has focused on modeling implicit and explicit human behavior in isolation; and often limited to a specific type of visual content. We propose UniAR -- a unified model of human attention and preference behavior across diverse visual content. UniAR leverages a multimodal transformer to predict subjective feedback, such as satisfaction or aesthetic quality, along with the underlying human attention or interaction heatmaps and viewing order. We train UniAR on diverse public datasets spanning natural images, webpages, and graphic designs, and achieve SOTA performance on multiple benchmarks across various image domains and behavior modeling tasks. Potential applications include providing instant feedback on the effectiveness of UIs/visual content, and enabling designers and content-creation models to optimize their creation for human-centric improvements.
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Large language models (LLMs) demonstrate surprising capabilities, but we do not understand how they are implemented. One hypothesis suggests that these capabilities are primarily executed by small subnetworks within the LLM, known as circuits. But how can we evaluate this hypothesis? In this paper, we formalize a set of criteria that a circuit is hypothesized to meet and develop a suite of hypothesis tests to evaluate how well circuits satisfy them. The criteria focus on the extent to which the LLM's behavior is preserved, the degree of localization of this behavior, and whether the circuit is minimal. We apply these tests to six circuits described in the research literature. We find that synthetic circuits -- circuits that are hard-coded in the model -- align with the idealized properties. Circuits discovered in Transformer models satisfy the criteria to varying degrees. To facilitate future empirical studies of circuits, we created the \textit{circuitry} package, a wrapper around the \textit{TransformerLens} library, which abstracts away lower-level manipulations of hooks and activations. The software is available at \url{https://github.com/blei-lab/circuitry}.
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Machine unlearning is motivated by principles of data autonomy. The premise is that a person can request to have their data's influence removed from deployed models, and those models should be updated as if they were retrained without the person's data. We show that these updates expose individuals to high-accuracy reconstruction attacks which allow the attacker to recover their data in its entirety, even when the original models are so simple that privacy risk might not otherwise have been a concern. We show how to mount a near-perfect attack on the deleted data point from linear regression models. We then generalize our attack to other loss functions and architectures, and empirically demonstrate the effectiveness of our attacks across a wide range of datasets (capturing both tabular and image data). Our work highlights that privacy risk is significant even for extremely simple model classes when individuals can request deletion of their data from the model.
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To make sense of massive data, we often first fit simplified models and then interpret the parameters; for example, we cluster the text embeddings and then interpret the mean parameters of each cluster. However, these parameters are often high-dimensional and hard to interpret. To make model parameters directly interpretable, we introduce a family of statistical models---including clustering, time series, and classification models---parameterized by *natural language predicates*. For example, a cluster of text about COVID could be parameterized by the predicate ``*discusses COVID*''. To learn these statistical models effectively, we develop a model-agnostic algorithm that optimizes continuous relaxations of predicate parameters with gradient descent and discretizes them by prompting language models (LMs). Finally, we apply our framework to a wide range of problems: taxonomizing user chat dialogues, characterizing how they evolve across time, finding categories where one language model is better than the other, clustering math problems based on subareas, and explaining visual features in memorable images. Our framework is highly versatile, applicable to both textual and visual domains, can be easily steered to focus on specific properties (e.g. subareas), and explains sophisticated concepts that classical methods (e.g. n-gram analysis) struggle to produce.
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We study private stochastic convex optimization (SCO) under user-level differential privacy (DP) constraints. In this setting, there are $n$ users (e.g., cell phones), each possessing $m$ data items (e.g., text messages), and we need to protect the privacy of each user's entire collection of data items. Existing algorithms for user-level DP SCO are impractical in many large-scale machine learning scenarios because: (i) they make restrictive assumptions on the smoothness parameter of the loss function and require the number of users to grow polynomially with the dimension of the parameter space; or (ii) they are prohibitively slow, requiring at least $(mn)^{3/2}$ gradient computations for smooth losses and $(mn)^3$ computations for non-smooth losses. To address these limitations, we provide novel user-level DP algorithms with state-of-the-art excess risk and runtime guarantees, without stringent assumptions. First, we develop a linear-time algorithm with state-of-the-art excess risk (for a non-trivial linear-time algorithm) under a mild smoothness assumption. Our second algorithm applies to arbitrary smooth losses and achieves optimal excess risk in $\approx (mn)^{9/8}$ gradient computations. Third, for non-smooth loss functions, we obtain optimal excess risk in $n^{11/8} m^{5/4}$ gradient computations. Moreover, our algorithms do not require the number of users to grow polynomially with the dimension.
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In class-incremental learning (class-IL), models must classify all previously seen classes at test time without task-IDs, leading to task confusion. Despite being a key challenge, task confusion lacks a theoretical understanding. We present a novel mathematical framework for class-IL and prove the Infeasibility Theorem, showing optimal class-IL is impossible with discriminative modeling due to task confusion. However, we establish the Feasibility Theorem, demonstrating that generative modeling can achieve optimal class-IL by overcoming task confusion. We then assess popular class-IL strategies, including regularization, bias-correction, replay, and generative classifier, using our framework. Our analysis suggests that adopting generative modeling, either for generative replay or direct classification (generative classifier), is essential for optimal class-IL.
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The nadir objective vector plays a key role in solving multi-objective optimization problems (MOPs), where it is often used to normalize the objective space and guide the search. The current methods for estimating the nadir objective vector perform effectively only on specific MOPs. This paper reveals the limitations of these methods: exact methods can only work on discrete MOPs, while heuristic methods cannot deal with the MOP with a complicated feasible objective region. To fill this gap, we propose a general and rigorous method, namely boundary decomposition for nadir objective vector estimation (BDNE). BDNE scalarizes the MOP into a set of boundary subproblems. By utilizing bilevel optimization, boundary subproblems are optimized and adjusted alternately, thereby refining their optimal solutions to align with the nadir objective vector. We prove that the bilevel optimization identifies the nadir objective vector under mild conditions. We compare BDNE with existing methods on various black-box MOPs. The results conform to the theoretical analysis and show the significant potential of BDNE for real-world application.
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We introduce One-Shot Label-Only (OSLO) membership inference attacks (MIAs), which accurately infer a given sample's membership in a target model's training set with high precision using just a single query, where the target model only returns the predicted hard label. This is in contrast to state-of-the-art label-only attacks which require $\sim6000$ queries, yet get attack precisions lower than OSLO's. OSLO leverages transfer-based black-box adversarial attacks. The core idea is that a member sample exhibits more resistance to adversarial perturbations than a non-member. We compare OSLO against state-of-the-art label-only attacks and demonstrate that, despite requiring only one query, our method significantly outperforms previous attacks in terms of precision and true positive rate (TPR) under the same false positive rates (FPR). For example, compared to previous label-only MIAs, OSLO achieves a TPR that is at least 7$\times$ higher under a 1\% FPR and at least 22$\times$ higher under a 0.1\% FPR on CIFAR100 for a ResNet18 model. We evaluated multiple defense mechanisms against OSLO.
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Knowing the effect of an intervention is critical for human decision-making, but current approaches for causal effect estimation rely on manual data collection and structuring, regardless of the causal assumptions. This increases both the cost and time-to-completion for studies. We show how large, diverse observational text data can be mined with large language models (LLMs) to produce inexpensive causal effect estimates under appropriate causal assumptions. We introduce _NATURAL_, a novel family of causal effect estimators built with LLMs that operate over datasets of unstructured text. Our estimators use LLM conditional distributions (over variables of interest, given the text data) to assist in the computation of classical estimators of causal effect. We overcome a number of technical challenges to realize this idea, such as automating data curation and using LLMs to impute missing information. We prepare six (two synthetic and four real) observational datasets, paired with corresponding ground truth in the form of randomized trials, which we used to systematically evaluate each step of our pipeline. NATURAL estimators demonstrate remarkable performance, yielding causal effect estimates that fall within 3 percentage points of their ground truth counterparts, including on real-world Phase 3/4 clinical trials. Our results suggest that unstructured text data is a rich source of causal effect information, and NATURAL is a first step towards an automated pipeline to tap this resource.
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The Gromov-Wasserstein (GW) distance is an extension of the optimal transport problem that allows one to match objects between incomparable spaces. At its core, the GW distance is specified as the solution of a non-convex quadratic program and is not known to be tractable to solve. In particular, existing solvers for the GW distance are only able to find locally optimal solutions. In this work, we propose a semi-definite programming (SDP) relaxation of the GW distance. The relaxation can be viewed as the Lagrangian dual of the GW distance augmented with constraints that relate to the linear and quadratic terms of transportation plans. In particular, our relaxation provides a tractable (polynomial-time) algorithm to compute globally optimal transportation plans (in some instances) together with an accompanying proof of global optimality. Our numerical experiments suggest that the proposed relaxation is strong in that it frequently computes the globally optimal solution. Our Python implementation is available at https://github.com/tbng/gwsdp.
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Recent advancements in language models (LMs) have notably enhanced their ability to reason with tabular data, primarily through program-aided mechanisms that manipulate and analyze tables. However, these methods often require the entire table as input, leading to scalability challenges due to the positional bias or context length constraints. In response to these challenges, we introduce TableRAG, a Retrieval-Augmented Generation (RAG) framework specifically designed for LM-based table understanding. TableRAG leverages query expansion combined with schema and cell retrieval to pinpoint crucial information before providing it to the LMs. This enables more efficient data encoding and precise retrieval, significantly reducing prompt lengths and mitigating information loss. We have developed two new million-token benchmarks from the Arcade and BIRD-SQL datasets to thoroughly evaluate TableRAG's effectiveness at scale. Our results demonstrate that TableRAG's retrieval design achieves the highest retrieval quality, leading to the new state-of-the-art performance on large-scale table understanding.
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We introduce DynaMITE-RL, a meta-reinforcement learning (meta-RL) approach to approximate inference in environments where the latent state evolves at varying rates. We model episode sessions---parts of the episode where the latent state is fixed---and propose three key modifications to existing meta-RL methods: (i) consistency of latent information within sessions, (ii) session masking, and (iii) prior latent conditioning. We demonstrate the importance of these modifications in various domains, ranging from discrete Gridworld environments to continuous-control and simulated robot assistive tasks, illustrating the efficacy of DynaMITE-RL over state-of-the-art baselines in both online and offline RL settings.
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Although the performance of Temporal Action Segmentation (TAS) has been improved in recent years, achieving promising results often comes with a high computational cost due to dense inputs, complex model structures, and resource-intensive post-processing requirements. To improve the efficiency while keeping the high performance, we present a novel perspective centered on per-segment classification. By harnessing the capabilities of Transformers, we tokenize each video segment as an instance token, endowed with intrinsic instance segmentation. To realize efficient action segmentation, we introduce BaFormer, a boundary-aware Transformer network. It employs instance queries for instance segmentation and a global query for class-agnostic boundary prediction, yielding continuous segment proposals. During inference, BaFormer employs a simple yet effective voting strategy to classify boundary-wise segments based on instance segmentation. Remarkably, as a single-stage approach, BaFormer significantly reduces the computational costs, utilizing only 6% of the running time compared to the state-of-the-art method DiffAct, while producing better or comparable accuracy over several popular benchmarks. The code for this project is publicly available at https://github.com/peiyao-w/BaFormer.
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Causal inference from observational data plays critical role in many applications in trustworthy machine learning. While sound and complete algorithms exist to compute causal effects, many of them assume access to conditional likelihoods, which is difficult to estimate for high-dimensional (particularly image) data. Researchers have alleviated this issue by simulating causal relations with neural models. However, when we have high-dimensional variables in the causal graph along with some unobserved confounders, no existing work can effectively sample from the un/conditional interventional distributions. In this work, we show how to sample from any identifiable interventional distribution given an arbitrary causal graph through a sequence of push-forward computations of conditional generative models, such as diffusion models. Our proposed algorithm follows the recursive steps of the existing likelihood-based identification algorithms to train a set of feed-forward models, and connect them in a specific way to sample from the desired distribution. We conduct experiments on a Colored MNIST dataset having both the treatment ($X$) and the target variables ($Y$) as images and sample from $P(y|do(x))$. Our algorithm also enables us to conduct a causal analysis to evaluate spurious correlations among input features of generative models pre-trained on the CelebA dataset. Finally, we generate high-dimensional interventional samples from the MIMIC-CXR dataset involving text and image variables.
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Training diffusion models for audiovisual sequences allows for a range of generation tasks by learning conditional distributions of various input-output combinations of the two modalities. Nevertheless, this strategy often requires training a separate model for each task which is expensive. Here, we propose a novel training approach to effectively learn arbitrary conditional distributions in the audiovisual space. Our key contribution lies in how we parameterize the diffusion timestep in the forward diffusion process. Instead of the standard fixed diffusion timestep, we propose applying variable diffusion timesteps across the temporal dimension and across modalities of the inputs. This formulation offers flexibility to introduce variable noise levels for various portions of the input, hence the term mixture of noise levels. We propose a transformer-based audiovisual latent diffusion model and show that it can be trained in a task-agnostic fashion using our approach to enable a variety of audiovisual generation tasks at inference time. Experiments demonstrate the versatility of our method in tackling cross-modal and multimodal interpolation tasks in the audiovisual space. Notably, our proposed approach surpasses baselines in generating temporally and perceptually consistent samples conditioned on the input. Project page: neurips13025.github.io
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In diffusion models, samples are generated through an iterative refinement process, requiring hundreds of sequential model evaluations. Several recent methods have introduced approximations (fewer discretization steps or distillation) to trade off speed at the cost of sample quality. In contrast, we introduce Self-Refining Diffusion Samplers (SRDS) that retain sample quality and can improve latency at the cost of additional parallel compute. We take inspiration from the Parareal algorithm, a popular numerical method for parallel-in-time integration of differential equations. In SRDS, a quick but rough estimate of a sample is first created and then iteratively refined in parallel through Parareal iterations. SRDS is not only guaranteed to accurately solve the ODE and converge to the serial solution but also benefits from parallelization across the diffusion trajectory, enabling batched inference and pipelining. As we demonstrate for pre-trained diffusion models, the early convergence of this refinement procedure drastically reduces the number of steps required to produce a sample, speeding up generation for instance by up to 1.7x on a 25-step StableDiffusion-v2 benchmark and up to 4.3x on longer trajectories.
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While imitation learning requires access to high-quality data, offline reinforcement learning (RL) should, in principle, perform similarly or better with substantially lower data quality by using a value function. However, current results indicate that offline RL often performs worse than imitation learning, and it is often unclear what holds back the performance of offline RL. Motivated by this observation, we aim to understand the bottlenecks in current offline RL algorithms. While poor performance of offline RL is typically attributed to an imperfect value function, we ask: *is the main bottleneck of offline RL indeed in learning the value function, or something else?* To answer this question, we perform a systematic empirical study of (1) value learning, (2) policy extraction, and (3) policy generalization in offline RL problems, analyzing how these components affect performance. We make two surprising observations. First, we find that the choice of a policy extraction algorithm significantly affects the performance and scalability of offline RL, often more so than the value learning objective. For instance, we show that common value-weighted behavioral cloning objectives (e.g., AWR) do not fully leverage the learned value function, and switching to behavior-constrained policy gradient objectives (e.g., DDPG+BC) often leads to substantial improvements in performance and scalability. Second, we find that a big barrier to improving offline RL performance is often imperfect policy generalization on test-time states out of the support of the training data, rather than policy learning on in-distribution states. We then show that the use of suboptimal but high-coverage data or test-time policy training techniques can address this generalization issue in practice. Specifically, we propose two simple test-time policy improvement methods and show that these methods lead to better performance.
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Large language model (LLM) performance on reasoning problems typically does not generalize out of distribution. Previous work has claimed that this can be mitigated with chain of thought prompting--a method of demonstrating solution procedures--with the intuition that it is possible to in-context teach an LLM an algorithm for solving the problem. This paper presents a case study of chain of thought on problems from Blocksworld, a classical planning domain, and examines the performance of two state-of-the-art LLMs across two axes: generality of examples given in prompt, and complexity of problems queried with each prompt. While our problems are very simple, we only find meaningful performance improvements from chain of thought prompts when those prompts are exceedingly specific to their problem class, and that those improvements quickly deteriorate as the size n of the query-specified stack grows past the size of stacks shown in the examples. We also create scalable variants of three domains commonly studied in previous CoT papers and demonstrate the existence of similar failure modes. Our results hint that, contrary to previous claims in the literature, CoT's performance improvements do not stem from the model learning general algorithmic procedures via demonstrations but depend on carefully engineering highly problem specific prompts. This spotlights drawbacks of chain of thought, especially the sharp tradeoff between possible performance gains and the amount of human labor necessary to generate examples with correct reasoning traces.
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Self-Distillation is a special type of knowledge distillation where the student model has the same architecture as the teacher model. Despite using the same architecture and the same training data, self-distillation has been empirically observed to improve performance, especially when applied repeatedly. For such a process, there is a fundamental question of interest: How much gain is possible by applying multiple steps of self-distillation? To investigate this relative gain, we propose using the simple but canonical task of linear regression. Our analysis shows that the excess risk achieved by multi-step self-distillation can significantly improve upon a single step of self-distillation, reducing the excess risk by a factor of $d$, where $d$ is the input dimension. Empirical results on regression tasks from the UCI repository show a reduction in the learnt model's risk (MSE) by up to $47$%.
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A central piece in enabling intelligent agentic behavior in foundation models is to make them capable of introspecting upon their behavior, reasoning, and correcting their mistakes as more computation or interaction is available. Even the strongest proprietary large language models (LLMs) do not quite exhibit the ability of continually improving their responses sequentially. In this paper, we develop $\textbf{RISE:}$ $\textbf{R}$ecursive $\textbf{I}$ntro$\textbf{S}$p$\textbf{E}$ction, an approach for fine-tuning LLMs to introduce this capability, despite prior work hypothesizing that this capability may not be possible to attain. Our approach prescribes an iterative fine-tuning procedure, which attempts to teach the model how to alter its response after having executed previously unsuccessful attempts to solve a hard test-time problem, with optionally additional environment feedback. RISE poses fine-tuning for a single-turn prompt as solving a multi-turn Markov decision process (MDP), where the initial state is the prompt. Inspired by principles in online imitation and offline reinforcement learning, we propose strategies for multi-turn data collection and training so as to imbue an LLM with the capability to recursively detect and correct its previous mistakes in subsequent iterations. Our experiments show that RISE enables Llama2, Llama3, and Mistral models to improve themselves with more turns on reasoning tasks, outperforming several single-turn strategies given an equal amount of inference-time computation. We also find that RISE scales well, often attaining larger benefits with more capable models, without disrupting one-turn abilities as a result of expressing more complex distributions.
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In linear bandits, how can a learner effectively learn when facing corrupted rewards? While significant work has explored this question, a holistic understanding across different adversarial models and corruption measures is lacking, as is a full characterization of the minimax regret bounds. In this work, we compare two types of corruptions commonly considered: strong corruption, where the corruption level depends on the learner’s chosen action, and weak corruption, where the corruption level does not depend on the learner’s chosen action. We provide a unified framework to analyze these corruptions. For stochastic linear bandits, we fully characterize the gap between the minimax regret under strong and weak corruptions. We also initiate the study of corrupted adversarial linear bandits, obtaining upper and lower bounds with matching dependencies on the corruption level. Next, we reveal a connection between corruption-robust learning and learning with gap-dependent misspecification—a setting first studied by Liu et al. (2023a), where the misspecification level of an action or policy is proportional to its suboptimality. We present a general reduction that enables any corruption-robust algorithm to handle gap-dependent misspecification. This allows us to recover the results of Liu et al. (2023a) in a black-box manner and significantly generalize them to settings like linear MDPs, yielding the first results for gap-dependent misspecification in reinforcement learning. However, this general reduction does not attain the optimal rate for gap-dependent misspecification. Motivated by this, we develop a specialized algorithm that achieves optimal bounds for gap-dependent misspecification in linear bandits, thus answering an open question posed by Liu et al. (2023a).
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Recently, Miller et al. (2021) and Baek et al. (2022) empirically demonstrated strong linear correlations between in-distribution (ID) versus out-of-distribution (OOD) accuracy and agreement. These trends, coined accuracy-on-the-line (ACL) and agreement-on-the-line (AGL), enable OOD model selection and performance estimation without labeled data. However, these phenomena also break for certain shifts, such as CIFAR10-C Gaussian Noise, posing a critical bottleneck. In this paper, we make a key finding that recent test-time adaptation (TTA) methods not only improve OOD performance, but it drastically strengthen the ACL and AGL trends in models, even in shifts where models showed very weak correlations before. To analyze this, we revisit the theoretical conditions from Miller et al. (2021) that outline the types of distribution shifts needed for perfect ACL in linear models. Surprisingly, these conditions are satisfied after applying TTA to deep models in the penultimate feature embedding space. In particular, TTA causes the data distribution to collapse complex shifts into those can be expressed by a singular "scaling" variable in the feature space. Our results show that by combining TTA with AGL-based estimation methods, we can estimate the OOD performance of models with high precision for a broader set of distribution shifts. This lends us a simple system for selecting the best hyperparameters and adaptation strategy without any OOD labeled data. Code is available at https://github.com/EungyeupKim/TTALine.
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High-resolution images offer more information about scenes that can improve model accuracy. However, the dominant model architecture in computer vision, the vision transformer (ViT), cannot effectively leverage larger images without finetuning — ViTs poorly extrapolate to more patches at test time, although transformers offer sequence length flexibility. We attribute this shortcoming to the current patch position encoding methods, which create a distribution shift when extrapolating. We propose a drop-in replacement for the position encoding of plain ViTs that restricts attention heads to fixed fields of view, pointed in different directions, using 2D attention masks. Our novel method, called LookHere, provides translation-equivariance, ensures attention head diversity, and limits the distribution shift that attention heads face when extrapolating. We demonstrate that LookHere improves performance on classification (avg. 1.6%), against adversarial attack (avg. 5.4%), and decreases calibration error (avg. 1.5%) — on ImageNet without extrapolation. With extrapolation, LookHere outperforms the current SoTA position encoding method, 2D-RoPE, by 21.7% on ImageNet when trained at $224^2$ px and tested at $1024^2$ px. Additionally, we release a high-resolution test set to improve the evaluation of high-resolution image classifiers, called ImageNet-HR.
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Adapting to dynamic data distributions is a practical yet challenging task. One effective strategy is to use a model ensemble, which leverages the diverse expertise of different models to transfer knowledge to evolving data distributions. However, this approach faces difficulties when the dynamic test distribution is available only in small batches and without access to the original source data. To address the challenge of adapting to dynamic distributions in such practical settings, we propose continual multi-source adaptation to dynamic distributions (CONTRAST), a novel method that optimally combines multiple source models to adapt to the dynamic test data. CONTRAST has two distinguishing features. First, it efficiently computes the optimal combination weights to combine the source models to adapt to the test data distribution continuously as a function of time. Second, it identifies which of the source model parameters to update so that only the model which is most correlated to the target data is adapted, leaving the less correlated ones untouched; this mitigates the issue of ``forgetting" the source model parameters by focusing only on the source model that exhibits the strongest correlation with the test batch distribution. Through theoretical analysis we show that the proposed method is able to optimally combine the source models and prioritize updates to the model least prone to forgetting. Experimental analysis on diverse datasets demonstrates that the combination of multiple source models does at least as well as the best source (with hindsight knowledge), and performance does not degrade as the test data distribution changes over time (robust to forgetting).
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Consistent depth estimation across diverse scenes and sensors is a crucial challenge in computer vision, especially when deploying machine learning models in the real world. Traditional methods depend heavily on extensive pixel-wise labeled data, which is costly and labor-intensive to acquire, and frequently have difficulty in scale issues on various depth sensors. In response, we define Universal Depth Completion (UniDC) problem. We also present a baseline architecture, a simple yet effective approach tailored to estimate scene depth across a wide range of sensors and environments using minimal labeled data. Our approach addresses two primary challenges: generalizable knowledge of unseen scene configurations and strong adaptation to arbitrary depth sensors with various specifications. To enhance versatility in the wild, we utilize a foundation model for monocular depth estimation that provides a comprehensive understanding of 3D structures in scenes. Additionally, for fast adaptation to off-the-shelf sensors, we generate a pixel-wise affinity map based on the knowledge from the foundation model. We then adjust depth information from arbitrary sensors to the monocular depth along with the constructed affinity. Furthermore, to boost up both the adaptability and generality, we embed the learned features into hyperbolic space, which builds implicit hierarchical structures of 3D data from fewer examples. Extensive experiments demonstrate the proposed method's superior generalization capabilities for UniDC problem over state-of-the-art depth completion. Source code is publicly available at https://github.com/JinhwiPark/UniDC.
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Stability in recurrent neural models poses a significant challenge, particularly in developing biologically plausible neurodynamical models that can be seamlessly trained. Traditional cortical circuit models are notoriously difficult to train due to expansive nonlinearities in the dynamical system, leading to an optimization problem with nonlinear stability constraints that are difficult to impose. Conversely, recurrent neural networks (RNNs) excel in tasks involving sequential data but lack biological plausibility and interpretability. In this work, we address these challenges by linking dynamic divisive normalization (DN) to the stability of "oscillatory recurrent gated neural integrator circuits'' (ORGaNICs), a biologically plausible recurrent cortical circuit model that dynamically achieves DN and that has been shown to simulate a wide range of neurophysiological phenomena. By using the indirect method of Lyapunov, we prove the remarkable property of unconditional local stability for an arbitrary-dimensional ORGaNICs circuit when the recurrent weight matrix is the identity. We thus connect ORGaNICs to a system of coupled damped harmonic oscillators, which enables us to derive the circuit's energy function, providing a normative principle of what the circuit, and individual neurons, aim to accomplish. Further, for a generic recurrent weight matrix, we prove the stability of the 2D model and demonstrate empirically that stability holds in higher dimensions. Finally, we show that ORGaNICs can be trained by backpropagation through time without gradient clipping/scaling, thanks to its intrinsic stability property and adaptive time constants, which address the problems of exploding, vanishing, and oscillating gradients. By evaluating the model's performance on RNN benchmarks, we find that ORGaNICs outperform alternative neurodynamical models on static image classification tasks and perform comparably to LSTMs on sequential tasks.
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We propose the new task open-world video instance segmentation and captioning. It requires to detect, segment, track and describe with rich captions never before seen objects. This challenging task can be addressed by developing "abstractors" which connect a vision model and a language foundation model. Concretely, we connect a multi-scale visual feature extractor and a large language model (LLM) by developing an object abstractor and an object-to-text abstractor. The object abstractor, consisting of a prompt encoder and transformer blocks, introduces spatially-diverse open-world object queries to discover never before seen objects in videos. An inter-query contrastive loss further encourages the diversity of object queries. The object-to-text abstractor is augmented with masked cross-attention and acts as a bridge between the object queries and a frozen LLM to generate rich and descriptive object-centric captions for each detected object. Our generalized approach surpasses the baseline that jointly addresses the tasks of open-world video instance segmentation and dense video object captioning by 13% on never before seen objects, and by 10% on object-centric captions.
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In order to mitigate the sample complexity of real-world reinforcement learning, common practice is to first train a policy in a simulator where samples are cheap, and then deploy this policy in the real world, with the hope that it generalizes effectively. Such \emph{direct sim2real} transfer is not guaranteed to succeed, however, and in cases where it fails, it is unclear how to best utilize the simulator. In this work, we show that in many regimes, while direct sim2real transfer may fail, we can utilize the simulator to learn a set of \emph{exploratory} policies which enable efficient exploration in the real world. In particular, in the setting of low-rank MDPs, we show that coupling these exploratory policies with simple, practical approaches---least-squares regression oracles and naive randomized exploration---yields a polynomial sample complexity in the real world, an exponential improvement over direct sim2real transfer, or learning without access to a simulator. To the best of our knowledge, this is the first evidence that simulation transfer yields a provable gain in reinforcement learning in settings where direct sim2real transfer fails. We validate our theoretical results on several realistic robotic simulators and a real-world robotic sim2real task, demonstrating that transferring exploratory policies can yield substantial gains in practice as well.
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We define what it means for a joint probability distribution to be compatible with aset of independent causal mechanisms, at a qualitative level—or, more precisely with a directed hypergraph $\mathcal A$, which is the qualitative structure of a probabilistic dependency graph (PDG). When A represents a qualitative Bayesian network, QIM-compatibility with $\mathcal A$ reduces to satisfying the appropriate conditional independencies. But giving semantics to hypergraphs using QIM-compatibility lets us do much more. For one thing, we can capture functional dependencies. For another, we can capture important aspects of causality using compatibility: we can use compatibility to understand cyclic causal graphs, and to demonstrate structural compatibility, we must essentially produce a causal model. Finally, compatibility has deep connections to information theory. Applying compatibility to cyclic structures helps to clarify a longstanding conceptual issue in information theory.
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Given time series data, how can we answer questions like ``what will happen in the future?'' and ``how did we get here?'' These sorts of probabilistic inference questions are challenging when observations are high-dimensional. In this paper, we show how these questions can have compact, closed form solutions in terms of learned representations. The key idea is to apply a variant of contrastive learning to time series data. Prior work already shows that the representations learned by contrastive learning encode a probability ratio. By extending prior work to show that the marginal distribution over representations is Gaussian, we can then prove that joint distribution of representations is also Gaussian. Taken together, these results show that representations learned via temporal contrastive learning follow a Gauss-Markov chain, a graphical model where inference (e.g., prediction, planning) over representations corresponds to inverting a low-dimensional matrix. In one special case, inferring intermediate representations will be equivalent to interpolating between the learned representations. We validate our theory using numerical simulations on tasks up to 46-dimensions.
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Compared to classical machine learning (ML) models, generative models offer a new usage paradigm where (i) a single model can be used for many different tasks out-of-the-box; (ii) users interact with this model over a series of natural language prompts; and (iii) the model is ideally evaluated on binary user satisfaction with respect to model outputs. Given these characteristics, we explore the problem of how developers of new generative AI software can release and price their technology. We first develop a comparison of two different models for a specific task with respect to user cost-effectiveness. We then model the pricing problem of generative AI software as a game between two different companies who sequentially release their models before users choose their preferred model for each task. Here, the price optimization problem becomes piecewise continuous where the companies must choose a subset of the tasks on which to be cost-effective and forgo revenue for the remaining tasks. In particular, we reveal the value of market information by showing that a company who deploys later after knowing their competitor’s price can always secure cost-effectiveness on at least one task, whereas the company who is the first-to-market must price their model in a way that incentivizes higher prices from the latecomer in order to gain revenue. Most importantly, we find that if the different tasks are sufficiently similar, the first-to-market model may become cost-ineffective on all tasks regardless of how this technology is priced.
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Cooperation between self-interested individuals is a widespread phenomenon in the natural world, but remains elusive in interactions between artificially intelligent agents. Instead, naïve reinforcement learning algorithms typically converge to Pareto-dominated outcomes in even the simplest of social dilemmas. An emerging literature on opponent shaping has demonstrated the ability to reach prosocial outcomes by influencing the learning of other agents. However, such methods differentiate through the learning step of other agents or optimize for meta-game dynamics, which rely on privileged access to opponents' learning algorithms or exponential sample complexity, respectively. To provide a learning rule-agnostic and sample-efficient alternative, we introduce Reciprocators, reinforcement learning agents which are intrinsically motivated to reciprocate the influence of opponents' actions on their returns. This approach seeks to modify other agents' $Q$-values by increasing their return following beneficial actions (with respect to the Reciprocator) and decreasing it after detrimental actions, guiding them towards mutually beneficial actions without directly differentiating through a model of their policy. We show that Reciprocators can be used to promote cooperation in temporally extended social dilemmas during simultaneous learning. Our code is available at https://github.com/johnlyzhou/reciprocator/.
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Algorithms with predictions is a recent framework for decision-making under uncertainty that leverages the power of machine-learned predictions without making any assumption about their quality. The goal in this framework is for algorithms to achieve an improved performance when the predictions are accurate while maintaining acceptable guarantees when the predictions are erroneous. A serious concern with algorithms that use predictions is that these predictions can be biased and, as a result, cause the algorithm to make decisions that are deemed unfair. We show that this concern manifests itself in the classical secretary problem in the learning-augmented setting---the state-of-the-art algorithm can have zero probability of accepting the best candidate, which we deem unfair, despite promising to accept a candidate whose expected value is at least $\max\{\Omega (1) , 1 - O(\varepsilon)\}$ times the optimal value, where $\varepsilon$ is the prediction error. We show how to preserve this promise while also guaranteeing to accept the best candidate with probability $\Omega(1)$. Our algorithm and analysis are based on a new ``pegging'' idea that diverges from existing works and simplifies/unifies some of their results. Finally, we extend to the $k$-secretary problem and complement our theoretical analysis with experiments.
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We provide a technique for OLO that obtains regret $G\|w_\star\|\sqrt{T\log(\|w_\star\|G\sqrt{T})} + \|w_\star\|^2 + G^2$ on $G$-Lipschitz losses for any comparison point $w_\star$ without knowing either $G$ or $\|w_\star\|$. Importantly, this matches the optimal bound $G\|w_\star\|\sqrt{T}$ available with such knowledge (up to logarithmic factors), unless either $\|w_\star\|$ or $G$ is so large that even $G\|w_\star\|\sqrt{T}$ is roughly linear in $T$. Thus, at a high level it matches the optimal bound in all cases in which one can achieve sublinear regret.
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Many problems in physical sciences are characterized by the prediction of space-time sequences. Such problems range from weather prediction to the analysis of disease propagation and video prediction. Modern techniques for the solution of these problems typically combine Convolution Neural Networks (CNN) architecture with a time prediction mechanism. However, oftentimes, such approaches underperform in the long-range propagation of information and lack explainability. In this work, we introduce a physically inspired architecture for the solution of such problems. Namely, we propose to augment CNNs with advection by designing a novel semi-Lagrangian push operator. We show that the proposed operator allows for the non-local transformation of information compared with standard convolutional kernels. We then complement it with Reaction and Diffusion neural components to form a network that mimics the Reaction-Advection-Diffusion equation, in high dimensions. We demonstrate the effectiveness of our network on a number of spatio-temporal datasets that show their merit. Our code is available at https://github.com/Siddharth-Rout/deepADRnet.
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We consider maximizing an unknown monotonic, submodular set function $f: 2^{[n]} \rightarrow [0,1]$ with cardinality constraint under stochastic bandit feedback. At each time $t=1,\dots,T$ the learner chooses a set $S_t \subset [n]$ with $|S_t| \leq k$ and receives reward $f(S_t) + \eta_t$ where $\eta_t$ is mean-zero sub-Gaussian noise. The objective is to minimize the learner's regret with respect to an approximation of the maximum $f(S_*)$ with $|S_*| = k$, obtained through robust greedy maximization of $f$. To date, the best regret bound in the literature scales as $k n^{1/3} T^{2/3}$. And by trivially treating every set as a unique arm one deduces that $\sqrt{ {n \choose k} T }$ is also achievable using standard multi-armed bandit algorithms. In this work, we establish the first minimax lower bound for this setting that scales like $\tilde{\Omega}(\min_{L \le k}(L^{1/3}n^{1/3}T^{2/3} + \sqrt{{n \choose k - L}T}))$. For a slightly restricted algorithm class, we prove a stronger regret lower bound of $\tilde{\Omega}(\min_{L \le k}(Ln^{1/3}T^{2/3} + \sqrt{{n \choose k - L}T}))$. Moreover, we propose an algorithm Sub-UCB that achieves regret $\tilde{\mathcal{O}}(\min_{L \le k}(Ln^{1/3}T^{2/3} + \sqrt{{n \choose k - L}T}))$ capable of matching the lower bound on regret for the restricted class up to logarithmic factors.
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Large Language Models (LLMs) have the capacity to store and recall facts. Through experimentation with open-source models, we observe that this ability to retrieve facts can be easily manipulated by changing contexts, even without altering their factual meanings. These findings highlight that LLMs might behave like an associative memory model where certain tokens in the contexts serve as clues to retrieving facts. We mathematically explore this property by studying how transformers, the building blocks of LLMs, can complete such memory tasks. We study a simple latent concept association problem with a one-layer transformer and we show theoretically and empirically that the transformer gathers information using self-attention and uses the value matrix for associative memory.
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Current neural network models of primate vision focus on replicating overall levels of behavioral accuracy, often neglecting perceptual decisions' rich, dynamic nature. Here, we introduce a novel computational framework to model the dynamics of human behavioral choices by learning to align the temporal dynamics of a recurrent neural network (RNN) to human reaction times (RTs). We describe an approximation that allows us to constrain the number of time steps an RNN takes to solve a task with human RTs. The approach is extensively evaluated against various psychophysics experiments. We also show that the approximation can be used to optimize an ``ideal-observer'' RNN model to achieve an optimal tradeoff between speed and accuracy without human data. The resulting model is found to account well for human RT data. Finally, we use the approximation to train a deep learning implementation of the popular Wong-Wang decision-making model. The model is integrated with a convolutional neural network (CNN) model of visual processing and evaluated using both artificial and natural image stimuli. Overall, we present a novel framework that helps align current vision models with human behavior, bringing us closer to an integrated model of human vision.
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Discrete diffusion models have emerged as powerful tools for high-quality data generation. Despite their success in discrete spaces, such as text generation tasks, the acceleration of discrete diffusion models remains under-explored. In this paper, we propose discrete non-Markov diffusion models (DNDM), which naturally induce the predetermined transition time set. This enables a training-free sampling algorithm that significantly reduces the number of function evaluations (i.e., calls to the neural network), making the sampling process much faster. Furthermore, we study the transition from finite to infinite step sampling, offering new insights into bridging the gap between discrete and continuous-time processes for discrete diffusion models. Extensive experiments on natural language generation and machine translation tasks demonstrate the superior performance of our method in terms of both generation speed and sample quality compared to existing methods for discrete diffusion models. Codes are available at \url{https://github.com/uclaml/DNDM}.
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Goal-conditioned reinforcement learning is a powerful way to control an AI agent's behavior at runtime. That said, popular goal representations, e.g., target states or natural language, are either limited to Markovian tasks or rely on ambiguous task semantics. We propose representing temporal goals using compositions of deterministic finite automata (cDFAs) and use cDFAs to guide RL agents. cDFAs balance the need for formal temporal semantics with ease of interpretation: if one can understand a flow chart, one can understand a cDFA. On the other hand, cDFAs form a countably infinite concept class with Boolean semantics, and subtle changes to the automaton can result in very different tasks, making them difficult to condition agent behavior on. To address this, we observe that all paths through a DFA correspond to a series of reach-avoid tasks and propose pre-training graph neural network embeddings on "reach-avoid derived" DFAs. Through empirical evaluation, we demonstrate that the proposed pre-training method enables zero-shot generalization to various cDFA task classes and accelerated policy specialization without the myopic suboptimality of hierarchical methods.
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Scaling has been a critical factor in improving model performance and generalization across various fields of machine learning. It involves how a model’s performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in scaling other types of machine learning models, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations, predicting the energy and forces between atoms in molecules and materials based on atomic configurations. The dominant paradigm in this field is to incorporate numerous physical domain constraints into the model, such as symmetry constraints like rotational equivariance. We contend that these increasingly complex domain constraints inhibit the scaling ability of NNIPs, and such strategies are likely to cause model performance to plateau in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling properties and strategies. Our findings indicate that scaling the model through attention mechanisms is both efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a novel multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency---at least 10x speed up in inference time, 5x less in memory usage---compared to existing NNIP models. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept towards developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.
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Conditional validity and length efficiency are two crucial aspects of conformal prediction (CP). Conditional validity ensures accurate uncertainty quantification for data subpopulations, while proper length efficiency ensures that the prediction sets remain informative. Despite significant efforts to address each of these issues individually, a principled framework that reconciles these two objectives has been missing in the CP literature. In this paper, we develop Conformal Prediction with Length-Optimization (CPL) - a novel and practical framework that constructs prediction sets with (near-) optimal length while ensuring conditional validity under various classes of covariate shifts, including the key cases of marginal and group-conditional coverage. In the infinite sample regime, we provide strong duality results which indicate that CPL achieves conditional validity and length optimality. In the finite sample regime, we show that CPL constructs conditionally valid prediction sets. Our extensive empirical evaluations demonstrate the superior prediction set size performance of CPL compared to state-of-the-art methods across diverse real-world and synthetic datasets in classification, regression, and large language model-based multiple choice question answering. An Implementation of our algorithm can be accessed at the following link: https://github.com/shayankiyani98/CP.
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We study calibration measures in a sequential prediction setup. In addition to rewarding accurate predictions (completeness) and penalizing incorrect ones (soundness), an important desideratum of calibration measures is *truthfulness*, a minimal condition for the forecaster not to be incentivized to exploit the system. Formally, a calibration measure is truthful if the forecaster (approximately) minimizes the expected penalty by predicting the conditional expectation of the next outcome, given the prior distribution of outcomes. We conduct a taxonomy of existing calibration measures. Perhaps surprisingly, all of them are far from being truthful. We introduce a new calibration measure termed the *Subsampled Smooth Calibration Error (SSCE)*, which is complete and sound, and under which truthful prediction is optimal up to a constant multiplicative factor. In contrast, under existing calibration measures, there are simple distributions on which a polylogarithmic (or even zero) penalty is achievable, while truthful prediction leads to a polynomial penalty.
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Masked (or absorbing) diffusion is actively explored as an alternative to autoregressive models for generative modeling of discrete data. However, existing work in this area has been hindered by unnecessarily complex model formulations and unclear relationships between different perspectives, leading to suboptimal parameterization, training objectives, and ad hoc adjustments to counteract these issues. In this work, we aim to provide a simple and general framework that unlocks the full potential of masked diffusion models. We show that the continuous-time variational objective of masked diffusion models is a simple weighted integral of cross-entropy losses. Our framework also enables training generalized masked diffusion models with state-dependent masking schedules. When evaluated by perplexity, our models trained on OpenWebText surpass prior diffusion language models at GPT-2 scale and demonstrate superior performance on 4 out of 5 zero-shot language modeling tasks. Furthermore, our models vastly outperform previous discrete diffusion models on pixel-level image modeling, achieving 2.75 (CIFAR-10) and 3.40 (ImageNet 64x64) bits per dimension that are better than autoregressive models of similar sizes.
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Global stability and robustness guarantees in learned dynamical systems are essential to ensure well-behavedness of the systems in the face of uncertainty. We present Extended Linearized Contracting Dynamics (ELCD), the first neural network-based dynamical system with global contractivity guarantees in arbitrary metrics. The key feature of ELCD is a parametrization of the extended linearization of the nonlinear vector field. In its most basic form, ELCD is guaranteed to be (i) globally exponentially stable, (ii) equilibrium contracting, and (iii) globally contracting with respect to some metric. To allow for contraction with respect to more general metrics in the data space, we train diffeomorphisms between the data space and a latent space and enforce contractivity in the latent space, which ensures global contractivity in the data space. We demonstrate the performance of ELCD on the high dimensional LASA, multi-link pendulum, and Rosenbrock datasets.
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This paper studies the properties of solutions to multi-task shallow ReLU neural network learning problems, wherein the network is trained to fit a dataset with minimal sum of squared weights. Remarkably, the solutions learned for each individual task resemble those obtained by solving a kernel method, revealing a novel connection between neural networks and kernel methods. It is known that single-task neural network training problems are equivalent to minimum norm interpolation problem in a non-Hilbertian Banach space, and that the solutions of such problems are generally non-unique. In contrast, we prove that the solutions to univariate-input, multi-task neural network interpolation problems are almost always unique, and coincide with the solution to a minimum-norm interpolation problem in a first-order Sobolev (reproducing kernel) Hilbert Space. We also demonstrate a similar phenomenon in the multivariate-input case; specifically, we show that neural network training problems with a large number of diverse tasks are approximately equivalent to an $\ell^2$ (Hilbert space) minimization problem over a fixed kernel determined by the optimal neurons.
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Conformal prediction (CP) is an emerging uncertainty quantification framework that allows us to construct a prediction set to cover the true label with a pre-specified marginal or conditional probability. Although the valid coverage guarantee has been extensively studied for classification problems, CP often produces large prediction sets which may not be practically useful. This issue is exacerbated for the setting of class-conditional coverage on imbalanced classification tasks with many and/or imbalanced classes. This paper proposes the Rank Calibrated Class-conditional CP (RC3P) algorithm to reduce the prediction set sizes to achieve class-conditional coverage, where the valid coverage holds for each class. In contrast to the standard class-conditional CP (CCP) method that uniformly thresholds the class-wise conformity score for each class, the augmented label rank calibration step allows RC3P to selectively iterate this class-wise thresholding subroutine only for a subset of classes whose class-wise top-$k$ error is small. We prove that agnostic to the classifier and data distribution, RC3P achieves class-wise coverage. We also show that RC3P reduces the size of prediction sets compared to the CCP method. Comprehensive experiments on multiple real-world datasets demonstrate that RC3P achieves class-wise coverage and $26.25\\%$ $\downarrow$ reduction in prediction set sizes on average.
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Instance-level explanation of graph neural networks (GNNs) is a well-studied area. These explainers, however, only explain an instance (e.g., a graph) and fail to uncover the combinatorial reasoning learned by a GNN from the training data towards making its predictions. In this work, we introduce GraphTrail, the first end-to-end, global, post-hoc GNN explainer that translates the functioning of a black-box GNN model to a boolean formula over the (sub)graph level concepts without relying on local explainers. GraphTrail is unique in automatically mining the discriminative subgraph-level concepts using Shapley values. Subsequently, the GNN predictions are mapped to a human-interpretable boolean formula over these concepts through symbolic regression. Extensive experiments across diverse datasets and GNN architectures demonstrate significant improvement over existing global explainers in mapping GNN predictions to faithful logical formulae. The robust and accurate performance of GraphTrail makes it invaluable for improving GNNs and facilitates adoption in domains with strict transparency requirements.
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Due to the lack of state dimension optimization methods, deep state space models (SSMs) have sacrificed model capacity, training search space, or stability to alleviate computational costs caused by high state dimensions. In this work, we provide a structured pruning method for SSMs, Layer-Adaptive STate pruning (LAST), which reduces the state dimension of each layer in minimizing model-level energy loss by extending modal truncation for a single system. LAST scores are evaluated using $\mathcal{H}_{\infty}$ norms of subsystems for each state and layer-wise energy normalization. The scores serve as global pruning criteria, enabling cross-layer comparison of states and layer-adaptive pruning. Across various sequence benchmarks, LAST optimizes previous SSMs, revealing the redundancy and compressibility of their state spaces. Notably, we demonstrate that, on average, pruning 33\% of states still maintains performance with 0.52\% accuracy loss in multi-input multi-output SSMs without retraining. Code is available at https://github.com/msgwak/LAST.
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Recent efforts to scale Transformer models have demonstrated rapid progress across a wide range of tasks (Wei at. al 2022). However, fine-tuning these models for downstream tasks is quite expensive due to their large parameter counts. Parameter-efficient fine-tuning (PEFT) approaches have emerged as a viable alternative, allowing us to fine-tune models by updating only a small number of parameters. In this work, we propose a general framework for parameter efficient fine-tuning (PEFT), based on *structured unrestricted-rank matrices* (SURM) which can serve as a drop-in replacement for popular approaches such as Adapters and LoRA. Unlike other methods like LoRA, SURMs give us more flexibility in finding the right balance between compactness and expressiveness. This is achieved by using *low displacement rank matrices* (LDRMs), which hasn't been used in this context before. SURMs remain competitive with baselines, often providing significant quality improvements while using a smaller parameter budget. SURMs achieve: **5**-**7**% accuracy gains on various image classification tasks while replacing low-rank matrices in LoRA and: up to **12x** reduction of the number of parameters in adapters (with virtually no loss in quality) on the GLUE benchmark.
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Rapid model validation via the train-test paradigm has been a key driver for the breathtaking progress in machine learning and AI. However, modern AI systems often depend on a combination of tasks and data collection practices that violate all assumptions ensuring test validity. Yet, without rigorous model validation we cannot ensure the intended outcomes of deployed AI systems, including positive social impact, nor continue to advance AI research in a scientifically sound way. In this paper, I will show that for widely considered inference settings in complex social systems the train-test paradigm does not only lack a justification but is indeed invalid for any risk estimator, including counterfactual and causal estimators, with high probability. These formal impossibility results highlight a fundamental epistemic issue, i.e., that for key tasks in modern AI we cannot know whether models are valid under current data collection practices. Importantly, this includes variants of both recommender systems and reasoning via large language models, and neither naïve scaling nor limited benchmarks are suited to address this issue. I am illustrating these results via the widely used MovieLens benchmark and conclude by discussing the implications of these results for AI in social systems, including possible remedies such as participatory data curation and open science.
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In the rapidly evolving domain of vision-based deep reinforcement learning (RL), a pivotal challenge is to achieve generalization capability to dynamic environmental changes reflected in visual observations. Our work delves into the intricacies of this problem, identifying two key issues that appear in previous approaches for visual RL generalization: (i) imbalanced saliency and (ii) observational overfitting. Imbalanced saliency is a phenomenon where an RL agent disproportionately identifies salient features across consecutive frames in a frame stack. Observational overfitting occurs when the agent focuses on certain background regions rather than task-relevant objects. To address these challenges, we present a simple yet effective framework for generalization in visual RL (SimGRL) under dynamic scene perturbations. First, to mitigate the imbalanced saliency problem, we introduce an architectural modification to the image encoder to stack frames at the feature level rather than the image level. Simultaneously, to alleviate the observational overfitting problem, we propose a novel technique called shifted random overlay augmentation, which is specifically designed to learn robust representations capable of effectively handling dynamic visual scenes. Extensive experiments demonstrate the superior generalization capability of SimGRL, achieving state-of-the-art performance in benchmarks including the DeepMind Control Suite.
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Estimating the density of a distribution from samples is a fundamental problem in statistics. In many practical settings, the Wasserstein distance is an appropriate error metric for density estimation. For example, when estimating population densities in a geographic region, a small Wasserstein distance means that the estimate is able to capture roughly where the population mass is. In this work we study differentially private density estimation in the Wasserstein distance. We design and analyze instance-optimal algorithms for this problem that can adapt to easy instances. For distributions $P$ over $\mathbb{R}$, we consider a strong notion of instance-optimality: an algorithm that uniformly achieves the instance-optimal estimation rate is competitive with an algorithm that is told that the distribution is either $P$ or $Q_P$ for some distribution $Q_P$ whose probability density function (pdf) is within a factor of 2 of the pdf of $P$. For distributions over $\mathbb{R}^2$, we use a slightly different notion of instance optimality. We say that an algorithm is instance-optimal if it is competitive with an algorithm that is given a constant multiplicative approximation of the density of the distribution. We characterize the instance-optimal estimation rates in both these settings and show that they are uniformly achievable (up to polylogarithmic factors). Our approach for $\mathbb{R}^2$ extends to arbitrary metric spaces as it goes via hierarchically separated trees. As a special case our results lead to instance-optimal learning in TV distance for discrete distributions.
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The current paradigm of evaluating Large Language Models (LLMs) through static benchmarks comes with significant limitations, such as vulnerability to data contamination and a lack of adaptability to the evolving capabilities of LLMs. Therefore, evaluation methods that can adapt and generate evaluation data with controlled complexity are urgently needed. In this work, we introduce Dynamic Evaluation of LLMs via Adaptive Reasoning Graph Evolvement (DARG) to dynamically extend current benchmarks with controlled complexity and diversity. Specifically, we first extract the reasoning graphs of data points in current benchmarks and then perturb the reasoning graphs to generate novel testing data. Such newly generated test samples can have different levels of complexity while maintaining linguistic diversity similar to the original benchmarks. We further use a code-augmented LLM to ensure the label correctness of newly generated data. We apply our DARG framework to diverse reasoning tasks in four domains with 15 state-of-the-art LLMs. Experimental results show that almost all LLMs experience a performance decrease with increased complexity and certain LLMs exhibit significant drops. Additionally, we find that LLMs exhibit more biases when being evaluated via the data generated by DARG with higher complexity levels. These observations provide useful insights into how to dynamically and adaptively evaluate LLMs.
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We present a new class of fast polylog-linear algorithms based on the theory of structured matrices (in particular *low displacement rank*) for integrating tensor fields defined on weighted trees. Several applications of the resulting *fast tree-field integrators* (FTFIs) are presented, including: (a) approximation of graph metrics with tree metrics, (b) graph classification, (c) modeling on meshes, and finally (d) *Topological Transformers* (TTs) (Choromanski et al., 2022) for images. For Topological Transformers, we propose new relative position encoding (RPE) masking mechanisms with as few as **three** extra learnable parameters per Transformer layer, leading to **1.0-1.5\%+** accuracy gains. Importantly, most of FTFIs are **exact** methods, thus numerically equivalent to their brute-force counterparts. When applied to graphs with thousands of nodes, those exact algorithms provide **5.7-13x** speedups. We also provide an extensive theoretical analysis of our methods.
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We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of \emph{relative signal strength} (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple \emph{Noise Ignorant Empirical Risk Minimization (NI-ERM)} principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.
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Cryo-EM is an increasingly popular method for determining the atomic resolution 3D structure of macromolecular complexes (eg, proteins) from noisy 2D images captured by an electron microscope. The computational task is to reconstruct the 3D density of the particle, along with 3D pose of the particle in each 2D image, for which the posterior pose distribution is highly multi-modal. Recent developments in cryo-EM have focused on deep learning for which amortized inference has been used to predict pose. Here, we address key problems with this approach, and propose a new semi-amortized method, cryoSPIN, in which reconstruction begins with amortized inference and then switches to a form of auto-decoding to refine poses locally using stochastic gradient descent. Through evaluation on synthetic datasets, we demonstrate that cryoSPIN is able to handle multi-modal pose distributions during the amortized inference stage, while the later, more flexible stage of direct pose optimization yields faster and more accurate convergence of poses compared to baselines. On experimental data, we show that cryoSPIN outperforms the state-of-the-art cryoAI in speed and reconstruction quality.
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Feature attribution methods explain black-box machine learning (ML) models by assigning importance scores to input features. These methods can be computationally expensive for large ML models. To address this challenge, there have been increasing efforts to develop amortized explainers, where a ML model is trained to efficiently approximate computationally expensive feature attribution scores. Despite their efficiency, amortized explainers can produce misleading explanations. In this paper, we propose selective explanations to (i) detect when amortized explainers generate inaccurate explanations and (ii) improve the approximation of the explanation using a technique we call explanations with initial guess. Selective explanations allow practitioners to specify the fraction of samples that receive explanations with initial guess, offering a principled way to bridge the gap between amortized explainers (one inference) and more computationally costly approximations (multiple inferences). Our experiments on various models and datasets demonstrate that feature attributions via selective explanations strike a favorable balance between explanation quality and computational efficiency.
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Particle-based Bayesian deep learning often requires a similarity metric to compare two networks. However, naive similarity metrics lack permutation invariance and are inappropriate for comparing networks. Centered Kernel Alignment (CKA) on feature kernels has been proposed to compare deep networks but has not been used as an optimization objective in Bayesian deep learning. In this paper, we explore the use of CKA in Bayesian deep learning to generate diverse ensembles and hypernetworks that output a network posterior. Noting that CKA projects kernels onto a unit hypersphere and that directly optimizing the CKA objective leads to diminishing gradients when two networks are very similar. We propose adopting the approach of hyperspherical energy (HE) on top of CKA kernels to address this drawback and improve training stability. Additionally, by leveraging CKA-based feature kernels, we derive feature repulsive terms applied to synthetically generated outlier examples. Experiments on both diverse ensembles and hypernetworks show that our approach significantly outperforms baselines in terms of uncertainty quantification in both synthetic and realistic outlier detection tasks.
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We design a system that learns how to edit visual programs. Our edit network consumes a complete input program and a visual target. From this input, we task our network with predicting a local edit operation that could be applied to the input program to improve its similarity to the target. In order to apply this scheme for domains that lack program annotations, we develop a self-supervised learning approach that integrates this edit network into a bootstrapped finetuning loop along with a network that predicts entire programs in one-shot. Our joint finetuning scheme, when coupled with an inference procedure that initializes a population from the one-shot model and evolves members of this population with the edit network, helps to infer more accurate visual programs. Over multiple domains, we experimentally compare our method against the alternative of using only the one-shot model, and find that even under equal search-time budgets, our editing-based paradigm provides significant advantages.
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We tackle the efficiency problem of learning local feature matching.Recent advancements have given rise to purely CNN-based and transformer-based approaches, each augmented with deep learning techniques. While CNN-based methods often excel in matching speed, transformer-based methods tend to provide more accurate matches. We propose an efficient transformer-based network architecture for local feature matching.This technique is built on constructing multiple homography hypotheses to approximate the continuous correspondence in the real world and uni-directional cross-attention to accelerate the refinement. On the YFCC100M dataset, our matching accuracy is competitive with LoFTR, a state-of-the-art transformer-based architecture, while the inference speed is boosted to 4 times, even outperforming the CNN-based methods.Comprehensive evaluations on other open datasets such as Megadepth, ScanNet, and HPatches demonstrate our method's efficacy, highlighting its potential to significantly enhance a wide array of downstream applications.
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Optogenetics is widely used to study the effects of neural circuit manipulation on behavior. However, the paucity of causal inference methodological work on this topic has resulted in analysis conventions that discard information, and constrain the scientific questions that can be posed. To fill this gap, we introduce a nonparametric causal inference framework for analyzing "closed-loop" designs, which use dynamic policies that assign treatment based on covariates. In this setting, standard methods can introduce bias and occlude causal effects. Building on the sequentially randomized experiments literature in causal inference, our approach extends history-restricted marginal structural models for dynamic regimes. In practice, our framework can identify a wide range of causal effects of optogenetics on trial-by-trial behavior, such as, fast/slow-acting, dose-response, additive/antagonistic, and floor/ceiling. Importantly, it does so without requiring negative controls, and can estimate how causal effect magnitudes evolve across time points. From another view, our work extends "excursion effect" methods---popular in the mobile health literature---to enable estimation of causal contrasts for treatment sequences greater than length one, in the presence of positivity violations. We derive rigorous statistical guarantees, enabling hypothesis testing of these causal effects. We demonstrate our approach on data from a recent study of dopaminergic activity on learning, and show how our method reveals relevant effects obscured in standard analyses.
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The deployment of ever-larger machine learning models reflects a growing consensus that the more expressive the model class one optimizes over—and the more data one has access to—the more one can improve performance. As models get deployed in a variety of real-world scenarios, they inevitably face strategic environments. In this work, we consider the natural question of how the interplay of models and strategic interactions affects the relationship between performance at equilibrium and the expressivity of model classes. We find that strategic interactions can break the conventional view—meaning that performance does not necessarily monotonically improve as model classes get larger or more expressive (even with infinite data). We show the implications of this result in several contexts including strategic regression, strategic classification, and multi-agent reinforcement learning. In particular, we show that each of these settings admits a Braess' paradox-like phenomenon in which optimizing over less expressive model classes allows one to achieve strictly better equilibrium outcomes. Motivated by these examples, we then propose a new paradigm for model selection in games wherein an agent seeks to choose amongst different model classes to use as their action set in a game.
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Deep learning models like AlphaFold2 have revolutionized protein structure prediction, achieving unprecedented accuracy. However, the dependence on robust multiple sequence alignments (MSAs) continues to pose a challenge, especially for proteins that lack a wealth of homologous sequences. To overcome this limitation, we introduce MSA-Generator, a self-supervised generative protein language model. Trained on a sequence-to-sequence task using an automatically constructed dataset, MSA-Generator employs protein-specific attention mechanisms to harness large-scale protein databases, generating virtual MSAs that enrich existing ones and boost prediction accuracy. Our experiments on CASP14 and CASP15 benchmarks reveal significant improvements in LDDT scores, particularly for complex and challenging sequences, enhancing the performance of both AlphaFold2 and RoseTTAFold. The code is released at \url{https://github.com/lezhang7/MSAGen}.
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A core task in multi-modal learning is to integrate information from multiple feature spaces (e.g., text and audio), offering modality-invariant essential representations of data. Recent research showed that, classical tools such as canonical correlation analysis (CCA) provably identify the shared components up to minor ambiguities, when samples in each modality are generated from a linear mixture of shared and private components. Such identifiability results were obtained under the condition that the cross-modality samples are aligned/paired according to their shared information. This work takes a step further, investigating shared component identifiability from multi-modal linear mixtures where cross-modality samples are unaligned. A distribution divergence minimization-based loss is proposed, under which a suite of sufficient conditions ensuring identifiability of the shared components are derived. Our conditions are based on cross-modality distribution discrepancy characterization and density-preserving transform removal, which are much milder than existing studies relying on independent component analysis. More relaxed conditions are also provided via adding reasonable structural constraints, motivated by available side information in various applications. The identifiability claims are thoroughly validated using synthetic and real-world data.
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Energy-based models (EBMs) offer a flexible framework for probabilistic modelling across various data domains. However, training EBMs on data in discrete or mixed state spaces poses significant challenges due to the lack of robust and fast sampling methods. In this work, we propose to train discrete EBMs with Energy Discrepancy, a loss function which only requires the evaluation of the energy function at data points and their perturbed counterparts, thus eliminating the need for Markov chain Monte Carlo. We introduce perturbations of the data distribution by simulating a diffusion process on the discrete state space endowed with a graph structure. This allows us to inform the choice of perturbation from the structure of the modelled discrete variable, while the continuous time parameter enables fine-grained control of the perturbation. Empirically, we demonstrate the efficacy of the proposed approaches in a wide range of applications, including the estimation of discrete densities with non-binary vocabulary and binary image modelling. We also introduce the first application of EBMs to tabular data sets with applications in synthetic data generation and calibrated classification.
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First-order methods (FOMs) are arguably the most scalable algorithms for equilibrium computation in large extensive-form games. To operationalize these methods, a distance-generating function, acting as a regularizer for the strategy space, must be chosen. The ratio between the strong convexity modulus and the diameter of the regularizer is a key parameter in the analysis of FOMs. A natural question is then: what is the optimal distance-generating function for extensive-form decision spaces? In this paper, we make a number of contributions, ultimately establishing that the weight-one dilated entropy (DilEnt) distance-generating function is optimal up to logarithmic factors. The DilEnt regularizer is notable due to its iterate-equivalence with Kernelized OMWU (KOMWU)---the algorithm with state-of-the-art dependence on the game tree size in extensive-form games---when used in conjunction with the online mirror descent (OMD) algorithm. However, the standard analysis for OMD is unable to establish such a result; the only current analysis is by appealing to the iterate equivalence to KOMWU. We close this gap by introducing a pair of primal-dual treeplex norms, which we contend form the natural analytic viewpoint for studying the strong convexity of DilEnt. Using these norm pairs, we recover the diameter-to-strong-convexity ratio that predicts the same performance as KOMWU. Along with a new regret lower bound for online learning in sequence-form strategy spaces, we show that this ratio is nearly optimal. Finally, we showcase our analytic techniques by refining the analysis of Clairvoyant OMD when paired with DilEnt, establishing an $\mathcal{O}(n \log |\mathcal{V}| \log T/T)$ approximation rate to coarse correlated equilibrium in $n$-player games, where $|\mathcal{V}|$ is the number of reduced normal-form strategies of the players, establishing the new state of the art.
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We consider offline reinforcement learning (RL) in $H$-horizon Markov decision processes (MDPs) under the linear $q^\pi$-realizability assumption, where the action-value function of every policy is linear with respect to a given $d$-dimensional feature function. The hope in this setting is that learning a good policy will be possible without requiring a sample size that scales with the number of states in the MDP. Foster et al. [2021] have shown this to be impossible even under $\text{\textit{concentrability}}$, a data coverage assumption where a coefficient $C_\text{conc}$ bounds the extent to which the state-action distribution of any policy can veer off the data distribution. However, the data in this previous work was in the form of a sequence of individual transitions. This leaves open the question of whether the negative result mentioned could be overcome if the data was composed of sequences of full trajectories. In this work we answer this question positively by proving that with trajectory data, a dataset of size $\text{poly}(d,H,C_\text{conc})/\epsilon^2$ is sufficient for deriving an $\epsilon$-optimal policy, regardless of the size of the state space. The main tool that makes this result possible is due to Weisz et al. [2023], who demonstrate that linear MDPs can be used to approximate linearly $q^\pi$-realizable MDPs. The connection to trajectory data is that the linear MDP approximation relies on "skipping" over certain states. The associated estimation problems are thus easy when working with trajectory data, while they remain nontrivial when working with individual transitions. The question of computational efficiency under our assumptions remains open.
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Estimating the out-of-distribution performance in regimes where labels are scarce is critical to safely deploy foundation models. Recently, it was shown that ensembles of neural networks observe the phenomena "agreement-on-the-line", which can be leveraged to reliably predict OOD performance without labels. However, in contrast to classical neural networks that are trained on in-distribution data from scratch for numerous epochs, foundation models undergo minimal finetuning from heavily pretrained weights, which may reduce the ensemble diversity needed to observe agreement-on-the-line. In our work, we demonstrate that when lightly finetuning multiple runs from a $\textit{single}$ foundation model, the choice of randomness during training (linear head initialization, data ordering, and data subsetting) can lead to drastically different levels of agreement-on-the-line in the resulting ensemble. Surprisingly, only random head initialization is able to reliably induce agreement-on-the-line in finetuned foundation models across vision and language benchmarks. Second, we demonstrate that ensembles of $\textit{multiple}$ foundation models pretrained on different datasets but finetuned on the same task can also show agreement-on-the-line. In total, by careful construction of a diverse ensemble, we can utilize agreement-on-the-line-based methods to predict the OOD performance of foundation models with high precision.
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The expressive power of graph learning architectures based on the $k$-dimensional Weisfeiler-Leman ($k$-WL) hierarchy is well understood. However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice, but comparing their expressive power with the $k$-WL hierarchy remains challenging, particularly since these architectures rely on positional or structural encodings for their expressivity and predictive performance. To address this, we show that the recently proposed Edge Transformer, a global attention model operating on node pairs instead of nodes, has 3-WL expressive power when provided with the right tokenization. Empirically, we demonstrate that the Edge Transformer surpasses other theoretically aligned architectures regarding predictive performance while not relying on positional or structural encodings.
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Curvature information -- particularly, the largest eigenvalue of the loss Hessian, known as the sharpness -- often forms the basis for learning rate tuners. However, recent work has shown that the curvature information undergoes complex dynamics during training, going from a phase of increasing sharpness to eventual stabilization. We analyze the closed-loop feedback effect between learning rate tuning and curvature. We find that classical learning rate tuners may yield greater one-step loss reduction, yet they ultimately underperform in the long term when compared to constant learning rates in the full batch regime. These models break the stabilization of the sharpness, which we explain using a simplified model of the joint dynamics of the learning rate and the curvature. To further investigate these effects, we introduce a new learning rate tuning method, Curvature Dynamics Aware Tuning (CDAT), which prioritizes long term curvature stabilization over instantaneous progress on the objective. In the full batch regime, CDAT shows behavior akin to prefixed warm-up schedules on deep learning objectives, outperforming tuned constant learning rates. In the mini batch regime, we observe that stochasticity introduces confounding effects that explain the previous success of some learning rate tuners at appropriate batch sizes. Our findings highlight the critical role of understanding the joint dynamics of the learning rate and curvature, beyond greedy minimization, to diagnose failures and design effective adaptive learning rate tuners.
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The creation of complex 3D scenes tailored to user specifications has been a tedious and challenging task with traditional 3D modeling tools. Although some pioneering methods have achieved automatic text-to-3D generation, they are generally limited to small-scale scenes with restricted control over the shape and texture. We introduce SceneCraft, a novel method for generating detailed indoor scenes that adhere to textual descriptions and spatial layout preferences provided by users. Central to our method is a rendering-based technique, which converts 3D semantic layouts into multi-view 2D proxy maps. Furthermore, we design a semantic and depth conditioned diffusion model to generate multi-view images, which are used to learn a neural radiance field (NeRF) as the final scene representation. Without the constraints of panorama image generation, we surpass previous methods in supporting complicated indoor space generation beyond a single room, even as complicated as a whole multi-bedroom apartment with irregular shapes and layouts. Through experimental analysis, we demonstrate that our method significantly outperforms existing approaches in complex indoor scene generation with diverse textures, consistent geometry, and realistic visual quality.
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Bounds on the smallest eigenvalue of the neural tangent kernel (NTK) are a key ingredient in the analysis of neural network optimization and memorization. However, existing results require distributional assumptions on the data and are limited to a high-dimensional setting, where the input dimension $d_0$ scales at least logarithmically in the number of samples $n$. In this work we remove both of these requirements and instead provide bounds in terms of a measure of distance between data points: notably these bounds hold with high probability even when $d_0$ is held constant versus $n$. We prove our results through a novel application of the hemisphere transform.
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We study the problem of gradient descent learning of a single-index target function $f_*(\boldsymbol{x}) = \textstyle\sigma_*\left(\langle\boldsymbol{x},\boldsymbol{\theta}\rangle\right)$ under isotropic Gaussian data in $\mathbb{R}^d$, where the unknown link function $\sigma_*:\mathbb{R}\to\mathbb{R}$ has information exponent $p$ (defined as the lowest degree in the Hermite expansion). Prior works showed that gradient-based training of neural networks can learn this target with $n\gtrsim d^{\Theta(p)}$ samples, and such complexity is predicted to be necessary by the correlational statistical query lower bound. Surprisingly, we prove that a two-layer neural network optimized by an SGD-based algorithm (on the squared loss) learns $f_*$ with a complexity that is not governed by the information exponent. Specifically, for arbitrary polynomial single-index models, we establish a sample and runtime complexity of $n \simeq T = \Theta(d\cdot\mathrm{polylog} d)$, where $\Theta(\cdot)$ hides a constant only depending on the degree of $\sigma_*$; this dimension dependence matches the information theoretic limit up to polylogarithmic factors. More generally, we show that $n\gtrsim d^{(p_*-1)\vee 1}$ samples are sufficient to achieve low generalization error, where $p_* \le p$ is the \textit{generative exponent} of the link function. Core to our analysis is the reuse of minibatch in the gradient computation, which gives rise to higher-order information beyond correlational queries.
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Score distillation sampling (SDS) has proven to be an important tool, enabling the use of large-scale diffusion priors for tasks operating in data-poor domains. Unfortunately, SDS has a number of characteristic artifacts that limit its utility in general-purpose applications. In this paper, we make progress toward understanding the behavior of SDS and its variants by viewing them as solving an optimal-cost transport path from some current source distribution to a target distribution. Under this new interpretation, we argue that these methods' characteristic artifacts are caused by (1) linear approximation of the optimal path and (2) poor estimates of the source distribution. We show that by calibrating the text conditioning of the source distribution, we can produce high-quality generation and translation results with little extra overhead. Our method can be easily applied across many domains, matching or beating the performance of specialized methods. We demonstrate its utility in text-to-2D, text-to-3D, translating paintings to real images, optical illusion generation, and 3D sketch-to-real. We compare our method to existing approaches for score distillation sampling and show that it can produce high-frequency details with realistic colors.
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Transformer architectures have become a dominant paradigm for domains like language modeling but suffer in many inference settings due to their quadratic-time self-attention. Recently proposed subquadratic architectures, such as Mamba, have shown promise, but have been pretrained with substantially less computational resources than the strongest Transformer models. In this work, we present a method that is able to distill a pretrained Transformer architecture into alternative architectures such as state space models (SSMs). The key idea to our approach is that we can view both Transformers and SSMs as applying different forms of mixing matrices over the token sequences. We can thus progressively distill the Transformer architecture by matching different degrees of granularity in the SSM: first matching the mixing matrices themselves, then the hidden units at each block, and finally the end-to-end predictions. Our method, called MOHAWK, is able to distill a Mamba-2 variant based on the Phi-1.5 architecture (Phi-Mamba) using only 3B tokens. Despite using less than 1% of the training data typically used to train models from scratch, Phi-Mamba boasts substantially stronger performance compared to all past open-source non-Transformer models. MOHAWK allows models like SSMs to leverage computational resources invested in training Transformer-based architectures, highlighting a new avenue for building such models.
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Variational regularization is a classical technique to solve statistical inference tasks and inverse problems, with modern data-driven approaches parameterizing regularizers via deep neural networks showcasing impressive empirical performance. Recent works along these lines learn task-dependent regularizers. This is done by integrating information about the measurements and ground-truth data in an unsupervised, critic-based loss function, where the regularizer attributes low values to likely data and high values to unlikely data. However, there is little theory about the structure of regularizers learned via this process and how it relates to the two data distributions. To make progress on this challenge, we initiate a study of optimizing critic-based loss functions to learn regularizers over a particular family of regularizers: gauges (or Minkowski functionals) of star-shaped bodies. This family contains regularizers that are commonly employed in practice and shares properties with regularizers parameterized by deep neural networks. We specifically investigate critic-based losses derived from variational representations of statistical distances between probability measures. By leveraging tools from star geometry and dual Brunn-Minkowski theory, we illustrate how these losses can be interpreted as dual mixed volumes that depend on the data distribution. This allows us to derive exact expressions for the optimal regularizer in certain cases. Finally, we identify which neural network architectures give rise to such star body gauges and when do such regularizers have favorable properties for optimization. More broadly, this work highlights how the tools of star geometry can aid in understanding the geometry of unsupervised regularizer learning.
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We present a novel bi-directional Transformer architecture (BiXT) which scales linearly with input size in terms of computational cost and memory consumption, but does not suffer the drop in performance or limitation to only one input modality seen with other efficient Transformer-based approaches. BiXT is inspired by the Perceiver architectures but replaces iterative attention with an efficient bi-directional cross-attention module in which input tokens and latent variables attend to each other simultaneously, leveraging a naturally emerging attention-symmetry between the two. This approach unlocks a key bottleneck experienced by Perceiver-like architectures and enables the processing and interpretation of both semantics ('what') and location ('where') to develop alongside each other over multiple layers -- allowing its direct application to dense and instance-based tasks alike. By combining efficiency with the generality and performance of a full Transformer architecture, BiXT can process longer sequences like point clouds, text or images at higher feature resolutions and achieves competitive performance across a range of tasks like point cloud part segmentation, semantic image segmentation, image classification, hierarchical sequence modeling and document retrieval. Our experiments demonstrate that BiXT models outperform larger competitors by leveraging longer sequences more efficiently on vision tasks like classification and segmentation, and perform on par with full Transformer variants on sequence modeling and document retrieval -- but require 28\% fewer FLOPs and are up to $8.4\times$ faster.
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Simulation with realistic and interactive agents represents a key task for autonomous vehicle (AV) software development in order to test AV performance in prescribed, often long-tail scenarios. In this work, we propose SceneDiffuser, a scene-level diffusion prior for traffic simulation. We present a singular framework that unifies two key stages of simulation: scene initialization and scene rollout. Scene initialization refers to generating the initial layout for the traffic in a scene, and scene rollout refers to closed-loop simulation for the behaviors of the agents. While diffusion has been demonstrated to be effective in learning realistic, multimodal agent distributions, two open challenges remain: controllability and closed-loop inference efficiency and realism. To this end, to address controllability challenges, we propose generalized hard constraints, a generalized inference-time constraint mechanism that is simple yet effective. To improve closed-loop inference quality and efficiency, we propose amortized diffusion, a novel diffusion denoising paradigm that amortizes the physical cost of denoising over future simulation rollout steps, reducing the cost of per physical rollout step to a single denoising function evaluation, while dramatically reducing closed-loop errors. We demonstrate the effectiveness of our approach on the Waymo Open Dataset, where we are able to generate distributionally realistic scenes, while obtaining competitive performance in the Sim Agents Challenge, surpassing the state-of-the-art in many realism attributes.
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Advances in generative models have made it possible for AI-generated text, code, and images to mirror human-generated content in many applications. Watermarking, a technique that aims to embed information in the output of a model to verify its source, is useful for mitigating the misuse of such AI-generated content. However, we show that common design choices in LLM watermarking schemes make the resulting systems surprisingly susceptible to attack---leading to fundamental trade-offs in robustness, utility, and usability. To navigate these trade-offs, we rigorously study a set of simple yet effective attacks on common watermarking systems, and propose guidelines and defenses for LLM watermarking in practice.
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Sign language translation (SLT) addresses the problem of translating information from a sign language in video to a spoken language in text. Existing studies, while showing progress, are often limited to narrow domains and/or few sign languages and struggle with open-domain tasks. In this paper, we push forward the frontier of SLT by scaling pretraining data, model size, and number of translation directions. We perform large-scale SLT pretraining on different data including 1) noisy multilingual Youtube SLT data, 2) parallel text corpora, and 3) SLT data augmented by translating video captions to other languages with off-the-shelf machine translation models. We unify different pretraining tasks with task-specific prompts under the encoder-decoder architecture, and initialize the SLT model with pretrained (m/By)T5 models across model sizes. SLT pretraining results on How2Sign and FLEURS-ASL\#0 (ASL to 42 spoken languages) demonstrate the significance of data/model scaling and cross-lingual cross-modal transfer, as well as the feasibility of zero-shot SLT. We finetune the pretrained SLT models on 5 downstream open-domain SLT benchmarks covering 5 sign languages. Experiments show substantial quality improvements over the vanilla baselines, surpassing the previous state-of-the-art (SOTA) by wide margins.
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Ensuring that a DNN satisfies a desired property is critical when deploying DNNs in safety-critical applications. There are efficient methods that can verify whether a DNN satisfies a property, as seen in the annual DNN verification competition (VNN-COMP). However, the problem of provably editing a DNN to satisfy a property remains challenging. We present PREPARED, the first efficient technique for provable editing of DNNs. Given a DNN $\mathcal{N}$ with parameters $\theta$, input polytope $P$, and output polytope $Q$, PREPARED finds new parameters $\theta'$ such that $\forall \mathrm{x} \in P . \mathcal{N}(\mathrm{x}; \theta') \in Q$ while minimizing the changes $\lVert{\theta' - \theta}\rVert$. Given a DNN and a property it violates from the VNN-COMP benchmarks, PREPARED is able to provably edit the DNN to satisfy this property within 45 seconds. PREPARED is efficient because it relaxes the NP-hard provable editing problem to solving a linear program. The key contribution is the novel notion of Parametric Linear Relaxation, which enables PREPARED to construct tight output bounds of the DNN that are parameterized by the new parameters $\theta'$. We demonstrate that PREPARED is more efficient and effective compared to prior DNN editing approaches i) using the VNN-COMP benchmarks, ii) by editing CIFAR10 and TinyImageNet image-recognition DNNs, and BERT sentiment-classification DNNs for local robustness, and iii) by training a DNN to model a geodynamics process and satisfy physics constraints.
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We study the problem of differentially private (DP) mechanisms for representing sets of size $k$ from a large universe. Our first construction creates $(\epsilon,\delta)$-DP representations with error probability of $1/(e^\epsilon + 1)$ using space at most $1.05 k \epsilon \cdot \log(e)$ bits where the time to construct a representation is $O(k \log(1/\delta))$ while decoding time is $O(\log(1/\delta))$. We also present a second algorithm for pure $\epsilon$-DP representations with the same error using space at most $k \epsilon \cdot \log(e)$ bits, but requiring large decoding times. Our algorithms match the lower bounds on privacy-utility trade-offs (including constants but ignoring $\delta$ factors) and we also present a new space lower bound matching our constructions up to small constant factors. To obtain our results, we design a new approach embedding sets into random linear systems deviating from most prior approaches that inject noise into non-private solutions.
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Safe reinforcement learning (RL) is crucial for deploying RL agents in real-world applications, as it aims to maximize long-term rewards while satisfying safety constraints. However, safe RL often suffers from sample inefficiency, requiring extensive interactions with the environment to learn a safe policy. We propose Efficient Safe Policy Optimization (ESPO), a novel approach that enhances the efficiency of safe RL through sample manipulation. ESPO employs an optimization framework with three modes: maximizing rewards, minimizing costs, and balancing the trade-off between the two. By dynamically adjusting the sampling process based on the observed conflict between reward and safety gradients, ESPO theoretically guarantees convergence, optimization stability, and improved sample complexity bounds. Experiments on the Safety-MuJoCo and Omnisafe benchmarks demonstrate that ESPO significantly outperforms existing primal-based and primal-dual-based baselines in terms of reward maximization and constraint satisfaction. Moreover, ESPO achieves substantial gains in sample efficiency, requiring 25--29\% fewer samples than baselines, and reduces training time by 21--38\%.
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In many social, behavioral, and biomedical sciences, treatment effect estimation is a crucial step in understanding the impact of an intervention, policy, or treatment. In recent years, an increasing emphasis has been placed on heterogeneity in treatment effects, leading to the development of various methods for estimating Conditional Average Treatment Effects (CATE). These approaches hinge on a crucial identifying condition of no unmeasured confounding, an assumption that is not always guaranteed in observational studies or randomized control trials with non-compliance. In this paper, we proposed a general framework for estimating CATE with a possible unmeasured confounder using Instrumental Variables. We also construct estimators that exhibit greater efficiency and robustness against various scenarios of model misspecification. The efficacy of the proposed framework is demonstrated through simulation studies and a real data example.
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In this work we analyze various scaling limits of the training dynamics of transformer models in the feature learning regime. We identify the set of parameterizations which admit well defined infinite width and depth limits that allow the attention layers to update throughout training, a relevant notion of feature learning in these models. We then use tools from dynamical mean field theory (DMFT) to analyze various infinite limits (infinite heads, infinite key/query dimension, and infinite depth) which have different statistical descriptions depending on which infinite limit is taken and how attention layers are scaled. We provide numerical evidence of convergence to the limits and show they maintain the correct scale of updates for both SGD and Adam.
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Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient policy generators while keeping the ability to generate diverse actions. To address this challenge, we propose AdaFlow, an imitation learning framework based on flow-based generative modeling. AdaFlow represents the policy with state-conditioned ordinary differential equations (ODEs), which are known as probability flows. We reveal an intriguing connection between the conditional variance of their training loss and the discretization error of the ODEs. With this insight, we propose a variance-adaptive ODE solver that can adjust its step size in the inference stage, making AdaFlow an adaptive decision-maker, offering rapid inference without sacrificing diversity. Interestingly, it automatically reduces to a one-step generator when the action distribution is uni-modal. Our comprehensive empirical evaluation shows that AdaFlow achieves high performance with fast inference speed.
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We introduce the first continuous-time score-based generative model that leverages fractional diffusion processes for its underlying dynamics. Although diffusion models have excelled at capturing data distributions, they still suffer from various limitations such as slow convergence, mode-collapse on imbalanced data, and lack of diversity. These issues are partially linked to the use of light-tailed Brownian motion (BM) with independent increments. In this paper, we replace BM with an approximation of its non-Markovian counterpart, fractional Brownian motion (fBM), characterized by correlated increments and Hurst index $H \in (0,1)$, where $H=0.5$ recovers the classical BM. To ensure tractable inference and learning, we employ a recently popularized Markov approximation of fBM (MA-fBM) and derive its reverse-time model, resulting in *generative fractional diffusion models* (GFDM). We characterize the forward dynamics using a continuous reparameterization trick and propose *augmented score matching* to efficiently learn the score function, which is partly known in closed form, at minimal added cost. The ability to drive our diffusion model via MA-fBM offers flexibility and control. $H \leq 0.5$ enters the regime of *rough paths* whereas $H>0.5$ regularizes diffusion paths and invokes long-term memory. The Markov approximation allows added control by varying the number of Markov processes linearly combined to approximate fBM. Our evaluations on real image datasets demonstrate that GFDM achieves greater pixel-wise diversity and enhanced image quality, as indicated by a lower FID, offering a promising alternative to traditional diffusion models
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Diffusion-based models have achieved notable empirical successes in reinforcement learning (RL) due to their expressiveness in modeling complex distributions. Despite existing methods being promising, the key challenge of extending existing methods for broader real-world applications lies in the computational cost at inference time, i.e., sampling from a diffusion model is considerably slow as it often requires tens to hundreds of iterations to generate even one sample. To circumvent this issue, we propose to leverage the flexibility of diffusion models for RL from a representation learning perspective. In particular, by exploiting the connection between diffusion models and energy-based models, we develop Diffusion Spectral Representation (Diff-SR), a coherent algorithm framework that enables extracting sufficient representations for value functions in Markov decision processes (MDP) and partially observable Markov decision processes (POMDP). We further demonstrate how Diff-SR facilitates efficient policy optimization and practical algorithms while explicitly bypassing the difficulty and inference cost of sampling from the diffusion model. Finally, we provide comprehensive empirical studies to verify the benefits of Diff-SR in delivering robust and advantageous performance across various benchmarks with both fully and partially observable settings.
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The flexible and generalized nature of large language models has allowed for their application in a wide array of language-based domains. Much like their human contemporaries, these models are capable of engaging in discussions and debates as a means of improving answer quality. We first take a theoretical approach to analyzing debate and provide a framework through which debate can be mathematically examined. Building on this framework, we provide several theoretical results for multi-agent debate. In particular, we demonstrate that similar model capabilities, or similar model responses, can result in static debate dynamics where the debate procedure simply converges to the majority opinion. When this majority opinion is the result of a common misconception (ingrained in the models through shared training data) debate is likely to converge to answers associated with that common misconception. Using insights from our theoretical results we then propose three interventions which improve the efficacy of debate. For each intervention, we provide theoretical results demonstrating how debate is improved. We also demonstrate that these interventions result in better performance on four common benchmark tasks.
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This paper proposes ProEdit - a simple yet effective framework for high-quality 3D scene editing guided by diffusion distillation in a novel progressive manner. Inspired by the crucial observation that multi-view inconsistency in scene editing is rooted in the diffusion model’s large feasible output space (FOS), our framework controls the size of FOS and reduces inconsistency by decomposing the overall editing task into several subtasks, which are then executed progressively on the scene. Within this framework, we design a difficulty-aware subtask decomposition scheduler and an adaptive 3D Gaussian splatting (3DGS) training strategy, ensuring high efficiency in performing each subtask. Extensive evaluation shows that our ProEdit achieves state-of-the-art results in various scenes and challenging editing tasks, all through a simple framework without any expensive or sophisticated add-ons like distillation losses, components, or training procedures. Notably, ProEdit also provides a new way to preview, control, and select the aggressivity of editing operation during the editing process.
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AI-driven design problems, such as DNA/protein sequence design, are commonly tackled from two angles: generative modeling, which efficiently captures the feasible design space (e.g., natural images or biological sequences), and model-based optimization, which utilizes reward models for extrapolation. To combine the strengths of both approaches, we adopt a hybrid method that fine-tunes cutting-edge diffusion models by optimizing reward models through RL. Although prior work has explored similar avenues, they primarily focus on scenarios where accurate reward models are accessible. In contrast, we concentrate on an offline setting where a reward model is unknown, and we must learn from static offline datasets, a common scenario in scientific domains. In offline scenarios, existing approaches tend to suffer from overoptimization, as they may be misled by the reward model in out-of-distribution regions. To address this, we introduce a conservative fine-tuning approach, BRAID, by optimizing a conservative reward model, which includes additional penalization outside of offline data distributions. Through empirical and theoretical analysis, we demonstrate the capability of our approach to outperform the best designs in offline data, leveraging the extrapolation capabilities of reward models while avoiding the generation of invalid designs through pre-trained diffusion models.
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Inferring the 3D structure underlying a set of multi-view images typically requires solving two co-dependent tasks -- accurate 3D reconstruction requires precise camera poses, and predicting camera poses relies on (implicitly or explicitly) modeling the underlying 3D. The classical framework of analysis by synthesis casts this inference as a joint optimization seeking to explain the observed pixels, and recent instantiations learn expressive 3D representations (e.g., Neural Fields) with gradient-descent-based pose refinement of initial pose estimates. However, given a sparse set of observed views, the observations may not provide sufficient direct evidence to obtain complete and accurate 3D. Moreover, large errors in pose estimation may not be easily corrected and can further degrade the inferred 3D. To allow robust 3D reconstruction and pose estimation in this challenging setup, we propose SparseAGS, a method that adapts this analysis-by-synthesis approach by: a) including novel-view-synthesis-based generative priors in conjunction with photometric objectives to improve the quality of the inferred 3D, and b) explicitly reasoning about outliers and using a discrete search with a continuous optimization-based strategy to correct them. We validate our framework across real-world and synthetic datasets in combination with several off-the-shelf pose estimation systems as initialization. We find that it significantly improves the base systems' pose accuracy while yielding high-quality 3D reconstructions that outperform the results from current multi-view reconstruction baselines.
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In strategic classification, agents modify their features, at a cost, to obtain a positive classification outcome from the learner’s classifier, typically assuming agents have full knowledge of the deployed classifier. In contrast, we consider a Bayesian setting where agents have a common distributional prior on the classifier being used and agents manipulate their features to maximize their expected utility according to this prior. The learner can reveal truthful, yet not necessarily complete, information about the classifier to the agents, aiming to release just enough information to shape the agents' behavior and thus maximize accuracy. We show that partial information release can counter-intuitively benefit the learner’s accuracy, allowing qualified agents to pass the classifier while preventing unqualified agents from doing so. Despite the intractability of computing the best response of an agent in the general case, we provide oracle-efficient algorithms for scenarios where the learner’s hypothesis class consists of low-dimensional linear classifiers or when the agents’ cost function satisfies a sub-modularity condition. Additionally, we address the learner’s optimization problem, offering both positive and negative results on determining the optimal information release to maximize expected accuracy, particularly in settings where an agent’s qualification can be represented by a real-valued number.
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In this paper, we approach an overlooked yet critical task Graph2Image: generating images from multimodal attributed graphs (MMAGs). This task poses significant challenges due to the explosion in graph size, dependencies among graph entities, and the need for controllability in graph conditions. To address these challenges, we propose a graph context-conditioned diffusion model called InstructG2I. InstructG2I first exploits the graph structure and multimodal information to conduct informative neighbor sampling by combining personalized page rank and re-ranking based on vision-language features. Then, a graph QFormer encoder adaptively encodes the graph nodes into an auxiliary set of graph prompts to guide the denoising process of diffusion. Finally, we propose graph classifier-free guidance, enabling controllable generation by varying the strength of graph guidance and multiple connected edges to a node. Extensive experiments conducted on three datasets from different domains demonstrate the effectiveness and controllability of our approach. The code is available at https://github.com/PeterGriffinJin/InstructG2I.
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Deep neural networks have evolved as the leading approach in 3D medical image segmentation due to their outstanding performance. However, the ever-increasing model size and computational cost of deep neural networks have become the primary barriers to deploying them on real-world, resource-limited hardware. To achieve both segmentation accuracy and efficiency, we propose a 3D medical image segmentation model called Efficient to Efficient Network (E2ENet), which incorporates two parametrically and computationally efficient designs. i. Dynamic sparse feature fusion (DSFF) mechanism: it adaptively learns to fuse informative multi-scale features while reducing redundancy. ii. Restricted depth-shift in 3D convolution: it leverages the 3D spatial information while keeping the model and computational complexity as 2D-based methods. We conduct extensive experiments on AMOS, Brain Tumor Segmentation and BTCV Challenge, demonstrating that E2ENet consistently achieves a superior trade-off between accuracy and efficiency than prior arts across various resource constraints. %In particular, with a single model and single scale, E2ENet achieves comparable accuracy on the large-scale challenge AMOS-CT, while saving over 69% parameter count and 27% FLOPs in the inference phase, compared with the previous best-performing method. Our code has been made available at: https://github.com/boqian333/E2ENet-Medical.
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Personalized Federated Learning with Mixture of Models for Adaptive Prediction and Model Fine-Tuning
Federated learning is renowned for its efficacy in distributed model training, ensuring that users, called clients, retain data privacy by not disclosing their data to the central server that orchestrates collaborations. Most previous work on federated learning assumes that clients possess static batches of training data. However, clients may also need to make real-time predictions on streaming data in non-stationary environments. In such dynamic environments, employing pre-trained models may be inefficient, as they struggle to adapt to the constantly evolving data streams. To address this challenge, clients can fine-tune models online, leveraging their observed data to enhance performance. Despite the potential benefits of client participation in federated online model fine-tuning, existing analyses have not conclusively demonstrated its superiority over local model fine-tuning. To bridge this gap, the present paper develops a novel personalized federated learning algorithm, wherein each client constructs a personalized model by combining a locally fine-tuned model with multiple federated models learned by the server over time. Theoretical analysis and experiments on real datasets corroborate the effectiveness of this approach for real-time predictions and federated model fine-tuning.
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Optimal Transport (OT, also known as the Wasserstein distance) is a popular metric for comparing probability distributions and has been successfully used in many machine-learning applications. In the semi-discrete $2$-Wasserstein problem, we wish to compute the cheapest way to transport all the mass from a continuous distribution $\mu$ to a discrete distribution $\nu$ in $\mathbb{R}^d$ for $d\ge 1$, where the cost of transporting unit mass between points $a$ and $b$ is $d(a,b)=||a-b||^2$. When both distributions are discrete, a simple combinatorial framework has been used to find the exact solution (see e.g. [Orlin, STOC 1988]). In this paper, we propose a combinatorial framework for the semi-discrete OT, which can be viewed as an extension of the combinatorial framework for the discrete OT but requires several new ideas. We present a new algorithm that given $\mu$ and $\nu$ in $\mathbb{R}^2$ and a parameter $\varepsilon>0$, computes an $\varepsilon$-additive approximate semi-discrete transport plan in $O(n^{4}\log n\log \frac{1}{\varepsilon})$ time (in the worst case), where $n$ is the support-size of the discrete distribution $\nu$ and we assume that the mass of $\mu$ inside a triangle can be computed in $O(1)$ time. Our algorithm is significantly faster than the known algorithms, and unlike many numerical algorithms, it does not make any assumptions on the smoothness of $\mu$. As an application of our algorithm, we describe a data structure to store a large discrete distribution $\mu$ (with support size $N$) using $O(N)$ space so that, given a query discrete distribution $\nu$ (with support size $k$), an $\varepsilon$-additive approximate transport plan can be computed in $O(k^{3}\sqrt{N}\log \frac{1}{\varepsilon})$ time in $2$ dimensions. Our algorithm and data structure extend to higher dimensions as well as to $p$-Wasserstein problem for any $p \ge 1$.
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Video understanding has witnessed significant progress with recent video foundation models demonstrating strong performance owing to self-supervised pre-training objectives; Masked Autoencoders (MAE) being the design of choice. Nevertheless, the majority of prior works that leverage MAE pre-training have focused on relatively short video representations (16 / 32 frames in length) largely due to hardware memory and compute limitations that scale poorly with video length due to the dense memory-intensive self-attention decoding. One natural strategy to address these challenges is to subsample tokens to reconstruct during decoding (or decoder masking). In this work, we propose an effective strategy for prioritizing tokens which allows training on longer video sequences (128 frames) and gets better performance than, more typical, random and uniform masking strategies. The core of our approach is an adaptive decoder masking strategy that prioritizes the most important tokens and uses quantized tokens as reconstruction objectives. Our adaptive strategy leverages a powerful MAGVIT-based tokenizer that jointly learns the tokens and their priority. We validate our design choices through exhaustive ablations and observe improved performance of the resulting long-video (128 frames) encoders over short-video (32 frames) counterparts. With our long-video masked autoencoder (LVMAE) strategy, we surpass state-of-the-art on Diving48 by 3.9 points and EPIC-Kitchens-100 verb classification by 2.5 points while relying on a simple core architecture and video-only pre-training (unlike some of the prior works that require millions of labeled video-text pairs or specialized encoders).
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Vision-Language Models (VLMs) have emerged as the state-of-the-art representation learning solution, with myriads of downstream applications such as image classification, retrieval and generation. A natural question is whether these models memorize their training data, which also has implications for generalization. We propose a new method for measuring memorization in VLMs, which we call dèjá vu memorization. For VLMs trained on image-caption pairs, we show that the model indeed retains information about individual objects in the training images beyond what can be inferred from correlations or the image caption. We evaluate dèjá vu memorization at both sample and population level, and show that it is significant for OpenCLIP trained on as many as 50M image-caption pairs. Finally, we show that text randomization considerably mitigates memorization risk while only moderately impacting the model’s downstream task performance. The code is available here: https://github.com/facebookresearch/VLMDejaVu.
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Multimodal representation learning techniques typically require paired samples to learn shared representations, but collecting paired samples can be challenging in fields like biology, where measurement devices often destroy the samples. This paper presents an approach to address the challenge of aligning unpaired samples across disparate modalities in multimodal representation learning. We draw an analogy between potential outcomes in causal inference and potential views in multimodal observations, allowing us to leverage Rubin's framework to estimate a common space for matching samples. Our approach assumes experimentally perturbed samples by treatments, and uses this to estimate a propensity score from each modality. We show that the propensity score encapsulates all shared information between a latent state and treatment, and can be used to define a distance between samples. We experiment with two alignment techniques that leverage this distance---shared nearest neighbours (SNN) and optimal transport (OT) matching---and find that OT matching results in significant improvements over state-of-the-art alignment approaches in on synthetic multi-modal tasks, in real-world data from NeurIPS Multimodal Single-Cell Integration Challenge, and on a single cell microscopy to expression prediction task.
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LLMs are seeing growing use for applications which require large context windows, and with these large context windows KV cache activations surface as the dominant contributor to memory consumption during inference. Quantization is a promising approach for compressing KV cache activations; however, existing solutions fail to represent activations accurately in sub-4-bit precision. Our work, KVQuant, facilitates low precision KV cache quantization by incorporating several novel methods: (i) Per-Channel Key Quantization, where we adjust the dimension along which we quantize the Key activations to better match the distribution; (ii) Pre-RoPE Key Quantization, where we quantize Key activations before the rotary positional embedding to mitigate its impact on quantization; (iii) Non-Uniform KV Cache Quantization, where we derive per-layer sensitivity-weighted non-uniform datatypes that better represent the distributions; and (iv) Per-Vector Dense-and-Sparse Quantization, where we isolate outliers separately for each vector to minimize skews in quantization ranges. By applying our method to the LLaMA, Llama-2, Llama-3, and Mistral models, we achieve < 0.1 perplexity degradation with 3-bit quantization on both Wikitext-2 and C4, outperforming existing approaches. Our method enables serving LLaMA-7B with a context length of up to 1 million on a single A100-80GB GPU and up to 10 million on an 8-GPU system. We develop custom CUDA kernels for KVQuant, showing that we can achieve up to ~1.7x speedups, compared to baseline fp16 matrix-vector multiplications, for the LLaMA-7B model.
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Most popular benchmarks for comparing LLMs rely on a limited set of prompt templates, which may not fully capture the LLMs’ abilities and can affect the reproducibility of results on leaderboards. Many recent works empirically verify prompt sensitivity and advocate for changes in LLM evaluation. In this paper, we consider the problem of estimating the performance distribution across many prompt variants instead of finding a single prompt to evaluate with. We introduce PromptEval, a method for estimating performance across a large set of prompts borrowing strength across prompts and examples to produce accurate estimates under practical evaluation budgets. The resulting distribution can be used to obtain performance quantiles to construct various robust performance metrics (e.g., top 95% quantile or median). We prove that PromptEval consistently estimates the performance distribution and demonstrate its efficacy empirically on three prominent LLM benchmarks: MMLU, BIG-bench Hard, and LMentry; for example, PromptEval can accurately estimate performance quantiles across 100 prompt templates on MMLU with a budget equivalent to two single-prompt evaluations. Moreover, we show how PromptEval can be useful in LLM-as-a-judge and best prompt identification applications.
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This paper studies the generalization performance of iterates obtained by Gradient Descent (GD), Stochastic Gradient Descent (SGD) and their proximal variants in high-dimensional robust regression problems. The number of features is comparable to the sample size and errors may be heavy-tailed. We introduce estimators that precisely track the generalization error of the iterates along the trajectory of the iterative algorithm. These estimators are provably consistent under suitable conditions. The results are illustrated through several examples, including Huber regression, pseudo-Huber regression, and their penalized variants with non-smooth regularizer. We provide explicit generalization error estimates for iterates generated from GD and SGD, or from proximal SGD in the presence of a non-smooth regularizer. The proposed risk estimates serve as effective proxies for the actual generalization error, allowing us to determine the optimal stopping iteration that minimizes the generalization error. Extensive simulations confirm the effectiveness of the proposed generalization error estimates.
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Standard reinforcement learning (RL) agents never intelligently explore like a human (i.e. taking into account complex domain priors and adapting quickly based on previous exploration). Across episodes, RL agents struggle to perform even simple exploration strategies, for example systematic search that avoids exploring the same location multiple times. This poor exploration limits performance on challenging domains. Meta-RL is a potential solution, as unlike standard RL, meta-RL can *learn* to explore, and potentially learn highly complex strategies far beyond those of standard RL, strategies such as experimenting in early episodes to learn new skills, or conducting experiments to learn about the current environment. Traditional meta-RL focuses on the problem of learning to optimally balance exploration and exploitation to maximize the *cumulative reward* of the episode sequence (e.g., aiming to maximize the total wins in a tournament -- while also improving as a player). We identify a new challenge with state-of-the-art cumulative-reward meta-RL methods. When optimal behavior requires exploration that sacrifices immediate reward to enable higher subsequent reward, existing state-of-the-art cumulative-reward meta-RL methods become stuck on the local optimum of failing to explore. Our method, First-Explore, overcomes this limitation by learning two policies: one to solely explore, and one to solely exploit. When exploring requires forgoing early-episode reward, First-Explore significantly outperforms existing cumulative meta-RL methods. By identifying and solving the previously unrecognized problem of forgoing reward in early episodes, First-Explore represents a significant step towards developing meta-RL algorithms capable of human-like exploration on a broader range of domains.
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Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks. In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought (CoT) candidates by optimizing for winning vs. losing reasoning steps. We train using a modified DPO loss with an additional negative log-likelihood term, which we find to be crucial. We show reasoning improves across repeated iterations of this scheme. While only relying on examples in the training set, our approach results in increasing accuracy on GSM8K, MATH, and ARC-Challenge for Llama-2-70B-Chat, outperforming other Llama-2-based models not relying on additionally sourced datasets. For example, we see a large improvement from 55.6% to 81.6% on GSM8K and an accuracy of 88.7% with majority voting out of 32 samples.
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Reward specification is one of the most tricky problems in Reinforcement Learning, which usually requires tedious hand engineering in practice. One promising approach to tackle this challenge is to adopt existing expert video demonstrations for policy learning. Some recent work investigates how to learn robot policies from only a single/few expert video demonstrations. For example, reward labeling via Optimal Transport (OT) has been shown to be an effective strategy to generate a proxy reward by measuring the alignment between the robot trajectory and the expert demonstrations. However, previous work mostly overlooks that the OT reward is invariant to temporal order information, which could bring extra noise to the reward signal. To address this issue, in this paper, we introduce the Temporal Optimal Transport (TemporalOT) reward to incorporate temporal order information for learning a more accurate OT-based proxy reward. Extensive experiments on the Meta-world benchmark tasks validate the efficacy of the proposed method. Our code is available at: https://github.com/fuyw/TemporalOT.
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In recent years, semi-supervised learning (SSL) has gained significant attention due to its ability to leverage both labeled and unlabeled data to improve model performance, especially when labeled data is scarce. However, most current SSL methods rely on heuristics or predefined rules for generating pseudo-labels and leveraging unlabeled data. They are limited to exploiting loss functions and regularization methods within the standard norm. In this paper, we propose a novel Reinforcement Learning (RL) Guided SSL method, RLGSSL, that formulates SSL as a one-armed bandit problem and deploys an innovative RL loss based on weighted reward to adaptively guide the learning process of the prediction model. RLGSSL incorporates a carefully designed reward function that balances the use of labeled and unlabeled data to enhance generalization performance. A semi-supervised teacher-student framework is further deployed to increase the learning stability. We demonstrate the effectiveness of RLGSSL through extensive experiments on several benchmark datasets and show that our approach achieves consistent superior performance compared to state-of-the-art SSL methods.
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In *expand-and-sparsify* (EaS) representation, a data point in $\mathcal{S}^{d-1}$ is first randomly mapped to higher dimension $\mathbb{R}^m$, where $m>d$, followed by a sparsification operation where the informative $k \ll m$ of the $m$ coordinates are set to one and the rest are set to zero. We propose two algorithms for non-parametric classification using such EaS representation. For our first algorithm, we use *winners-take-all* operation for the sparsification step and show that the proposed classifier admits the form of a locally weighted average classifier and establish its consistency via Stone's Theorem. Further, assuming that the conditional probability function $P(y=1|x)=\eta(x)$ is H\"{o}lder continuous and for optimal choice of $m$, we show that the convergence rate of this classifier is minimax-optimal. For our second algorithm, we use *empirical $k$-thresholding* operation for the sparsification step, and under the assumption that data lie on a low dimensional manifold of dimension $d_0\ll d$, we show that the convergence rate of this classifier depends only on $d_0$ and is again minimax-optimal. Empirical evaluations performed on real-world datasets corroborate our theoretical results.
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Recent work in interpretability shows that large language models (LLMs) can be adapted for new tasks in a learning-free way: it is possible to intervene on LLM representations to elicit desired behaviors for alignment. For instance, adding certain bias vectors to the outputs of certain attention heads is reported to boost the truthfulness of models. In this work, we show that localized fine-tuning serves as an effective alternative to such representation intervention methods. We introduce a framework called Localized Fine-Tuning on LLM Representations (LoFiT), which identifies a subset of attention heads that are most important for learning a specific task, then trains offset vectors to add to the model's hidden representations at those selected heads. LoFiT localizes to a sparse set of heads (3%-10%) and learns the offset vectors from limited training data, comparable to the settings used for representation intervention. For truthfulness and reasoning tasks, we find that LoFiT's intervention vectors are more effective for LLM adaptation than vectors from representation intervention methods such as Inference-time Intervention. We also find that the localization step is important: selecting a task-specific set of attention heads can lead to higher performance than intervening on heads selected for a different task. Finally, across 7 tasks we study, LoFiT achieves comparable performance to other parameter-efficient fine-tuning methods such as LoRA, despite modifying 20x-200x fewer parameters than these methods.
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Differential equations are important mechanistic models that are integral to many scientific and engineering applications. With the abundance of available data there has been a growing interest in data-driven physics-informed models. Gaussian processes (GPs) are particularly suited to this task as they can model complex, non-linear phenomena whilst incorporating prior knowledge and quantifying uncertainty. Current approaches have found some success but are limited as they either achieve poor computational scalings or focus only on the temporal setting. This work addresses these issues by introducing a variational spatio-temporal state-space GP that handles linear and non-linear physical constraints while achieving efficient linear-in-time computation costs. We demonstrate our methods in a range of synthetic and real-world settings and outperform the current state-of-the-art in both predictive and computational performance.
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Empirical data can often be considered as samples from a set of probability distributions. Kernel methods have emerged as a natural approach for learning to classify these distributions. Although numerous kernels between distributions have been proposed, applying kernel methods to distribution regression tasks remains challenging, primarily because selecting a suitable kernel is not straightforward. Surprisingly, the question of learning a data-dependent distribution kernel has received little attention. In this paper, we propose a novel objective for the unsupervised learning of data-dependent distribution kernel, based on the principle of entropy maximization in the space of probability measure embeddings. We examine the theoretical properties of the latent embedding space induced by our objective, demonstrating that its geometric structure is well-suited for solving downstream discriminative tasks. Finally, we demonstrate the performance of the learned kernel across different modalities.
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Calibration is a well-studied property of predictors which guarantees meaningful uncertainty estimates. Multicalibration is a related notion --- originating in algorithmic fairness --- which requires predictors to be simultaneously calibrated over a potentially complex and overlapping collection of protected subpopulations (such as groups defined by ethnicity, race, or income). We conduct the first comprehensive study evaluating the usefulness of multicalibration post-processing across a broad set of tabular, image, and language datasets for models spanning from simple decision trees to 90 million parameter fine-tuned LLMs. Our findings can be summarized as follows: (1) models which are calibrated out of the box tend to be relatively multicalibrated without any additional post-processing; (2) multicalibration can help inherently uncalibrated models and also large vision and language models; and (3) traditional calibration measures may sometimes provide multicalibration implicitly. More generally, we also distill many independent observations which may be useful for practical and effective applications of multicalibration post-processing in real-world contexts.
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Hierarchical clustering has usually been addressed by discrete optimization using heuristics or continuous optimization of relaxed scores for hierarchies. In this work, we propose to optimize expected scores under a probabilistic model over hierarchies. (1) We show theoretically that the global optimal values of the expected Dasgupta cost and Tree-Sampling divergence (TSD), two unsupervised metrics for hierarchical clustering, are equal to the optimal values of their discrete counterparts contrary to some relaxed scores. (2) We propose Expected Probabilistic Hierarchies (EPH), a probabilistic model to learn hierarchies in data by optimizing expected scores. EPH uses differentiable hierarchy sampling enabling end-to-end gradient descent based optimization, and an unbiased subgraph sampling approach to scale to large datasets. (3) We evaluate EPH on synthetic and real-world datasets including vector and graph datasets. EPH outperforms all other approaches quantitatively and provides meaningful hierarchies in qualitative evaluations.
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Parameter-Efficient Fine-Tuning (PEFT) has become the standard for customising Foundation Models (FMs) to user-specific downstream tasks. However, typical PEFT methods require storing multiple task-specific adapters, creating scalability issues as these adapters must be housed and run at the FM server. Traditional prompt tuning offers a potential solution by customising them through task-specific input prefixes, but it under-performs compared to other PEFT methods like LoRA. To address this gap, we propose Low-Rank Prompt Adaptation (LoPA), a prompt-tuning-based approach that performs on par with state-of-the-art PEFT methods and full fine-tuning while being more parameter-efficient and not requiring a server-based adapter. LoPA generates soft prompts by balancing between sharing task-specific information across instances and customization for each instance. It uses a low-rank decomposition of the soft-prompt component encoded for each instance to achieve parameter efficiency. We provide a comprehensive evaluation on multiple natural language understanding and code generation and understanding tasks across a wide range of foundation models with varying sizes.
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Graph diffusion, which iteratively propagates real-valued substances among the graph, is used in numerous graph/network-involved applications. However, releasing diffusion vectors may reveal sensitive linking information in the data such as transaction information in financial network data. However, protecting the privacy of graph data is challenging due to its interconnected nature. This work proposes a novel graph diffusion framework with edge-level different privacy guarantees by using noisy diffusion iterates. The algorithm injects Laplace noise per diffusion iteration and adopts a degree-based thresholding function to mitigate the high sensitivity induced by low-degree nodes. Our privacy loss analysis is based on Privacy Amplification by Iteration (PABI), which to our best knowledge, is the first effort that analyzes PABI with Laplace noise and provides relevant applications. We also introduce a novel $\infty$-Wasserstein distance tracking method, which tightens the analysis of privacy leakage and makes PABI more applicable in practice. We evaluate this framework by applying it to Personalized Pagerank computation for ranking tasks. Experiments on real-world network data demonstrate the superiority of our method under stringent privacy conditions.
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Hybrid Reinforcement Learning (RL), where an agent learns from both an offline dataset and online explorations in an unknown environment, has garnered significant recent interest. A crucial question posed by Xie et al. (2022) is whether hybrid RL can improve upon the existing lower bounds established in purely offline and purely online RL without relying on the single-policy concentrability assumption. While Li et al. (2023) provided an affirmative answer to this question in the tabular PAC RL case, the question remains unsettled for both the regret-minimizing RL case and the non-tabular case. In this work, building upon recent advancements in offline RL and reward-agnostic exploration, we develop computationally efficient algorithms for both PAC and regret-minimizing RL with linear function approximation, without requiring concentrability on the entire state-action space. We demonstrate that these algorithms achieve sharper error or regret bounds that are no worse than, and can improve on, the optimal sample complexity in offline RL (the first algorithm, for PAC RL) and online RL (the second algorithm, for regret-minimizing RL) in linear Markov decision processes (MDPs), regardless of the quality of the behavior policy. To our knowledge, this work establishes the tightest theoretical guarantees currently available for hybrid RL in linear MDPs.
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Structured state-space models (SSMs) are gaining popularity as effective foundational architectures for sequential data, demonstrating outstanding performance across a diverse set of domains alongside desirable scalability properties. Recent developments show that if the linear recurrence powering SSMs allows for a selectivity mechanism leveraging multiplicative interactions between inputs and hidden states (e.g. Mamba, GLA, Hawk/Griffin, HGRN2), then the resulting architecture can surpass attention-powered foundation models trained on text in both accuracy and efficiency, at scales of billion parameters. In this paper, we give theoretical grounding to the selectivity mechanism, often linked to in-context learning, using tools from Rough Path Theory. We provide a framework for the theoretical analysis of generalized selective SSMs, fully characterizing their expressive power and identifying the gating mechanism as the crucial architectural choice. Our analysis provides a closed-form description of the expressive powers of modern SSMs, such as Mamba, quantifying theoretically the drastic improvement in performance from the previous generation of models, such as S4. Our theory not only motivates the success of modern selective state-space models, but also provides a solid framework to understand the expressive power of future SSM variants. In particular, it suggests cross-channel interactions could play a vital role in future improvements.
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Unexpected stimuli induce "error" or "surprise" signals in the brain. The theory of predictive coding promises to explain these observations in terms of Bayesian inference by suggesting that the cortex implements variational inference in a probabilistic graphical model. However, when applied to machine learning tasks, this family of algorithms has yet to perform on par with other variational approaches in high-dimensional, structured inference problems. To address this, we introduce a novel predictive coding algorithm for structured generative models, that we call divide-and-conquer predictive coding (DCPC); it differs from other formulations of predictive coding, as it respects the correlation structure of the generative model and provably performs maximum-likelihood updates of model parameters, all without sacrificing biological plausibility. Empirically, DCPC achieves better numerical performance than competing algorithms and provides accurate inference in a number of problems not previously addressed with predictive coding. We provide an open implementation of DCPC in Pyro on Github.
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This work studies discrete-time discounted Markov decision processes with continuous state and action spaces and addresses the inverse problem of inferring a cost function from observed optimal behavior. We first consider the case in which we have access to the entire expert policy and characterize the set of solutions to the inverse problem by using occupation measures, linear duality, and complementary slackness conditions. To avoid trivial solutions and ill-posedness, we introduce a natural linear normalization constraint. This results in an infinite-dimensional linear feasibility problem, prompting a thorough analysis of its properties. Next, we use linear function approximators and adopt a randomized approach, namely the scenario approach and related probabilistic feasibility guarantees, to derive $\varepsilon$-optimal solutions for the inverse problem. We further discuss the sample complexity for a desired approximation accuracy. Finally, we deal with the more realistic case where we only have access to a finite set of expert demonstrations and a generative model and provide bounds on the error made when working with samples.
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Prediction-powered inference (PPI) is a method that improves statistical estimates based on limited human-labeled data. PPI achieves this by combining small amounts of human-labeled data with larger amounts of data labeled by a reasonably accurate---but potentially biased---automatic system, in a way that results in tighter confidence intervals for certain parameters of interest (e.g., the mean performance of a language model). In this paper, we propose a method called Stratified Prediction-Powered Inference (StratPPI), in which we show that the basic PPI estimates can be considerably improved by employing simple data stratification strategies. Without making any assumptions on the underlying automatic labeling system or data distribution, we derive an algorithm for computing provably valid confidence intervals for parameters of any dimensionality that is based on stratified sampling. In particular, we show both theoretically and empirically that, with appropriate choices of stratification and sample allocation, our approach can provide substantially tighter confidence intervals than unstratified approaches. Specifically, StratPPI is expected to improve in cases where the performance of the autorater varies across different conditional distributions of the target data.
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Offline safe reinforcement learning (RL) aims to train a policy that satisfies con- straints using a pre-collected dataset. Most current methods struggle with the mismatch between imperfect demonstrations and the desired safe and rewarding performance. In this paper, we mitigate this issue from a data-centric perspective and introduce OASIS (cOnditionAl diStributIon Shaping), a new paradigm in offline safe RL designed to overcome these critical limitations. OASIS utilizes a conditional diffusion model to synthesize offline datasets, thus shaping the data dis- tribution toward a beneficial target domain. Our approach makes compliance with safety constraints through effective data utilization and regularization techniques to benefit offline safe RL training. Comprehensive evaluations on public benchmarks and varying datasets showcase OASIS’s superiority in benefiting offline safe RL agents to achieve high-reward behavior while satisfying the safety constraints, out- performing established baselines. Furthermore, OASIS exhibits high data efficiency and robustness, making it suitable for real-world applications, particularly in tasks where safety is imperative and high-quality demonstrations are scarce. More details are available at the website https://sites.google.com/view/saferl-oasis/home.
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Accurate modeling of the diverse and dynamic interests of users remains a significant challenge in the design of personalized recommender systems. Existing user modeling methods, like single-point and multi-point representations, have limitations w.r.t.\ accuracy, diversity, and adaptability. To overcome these deficiencies, we introduce density-based user representations (DURs), a novel method that leverages Gaussian process regression (GPR) for effective multi-interest recommendation and retrieval. Our approach, GPR4DUR, exploits DURs to capture user interest variability without manual tuning, incorporates uncertainty-awareness, and scales well to large numbers of users. Experiments using real-world offline datasets confirm the adaptability and efficiency of GPR4DUR, while online experiments with simulated users demonstrate its ability to address the exploration-exploitation trade-off by effectively utilizing model uncertainty.
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We introduce WildTeaming, an automatic red-teaming framework that mines in-the-wild user-chatbot interactions to discover 5.7K unique clusters of novel jailbreak tactics, and then composes selections of multiple mined tactics for systematic exploration of novel and even more challenging jailbreaks. Compared to prior work that performed red-teaming via recruited human workers, gradient-based optimization, or iterative revision with large language models (LLMs), our work investigates jailbreaks from chatbot users in-the-wild who were not specifically instructed to break the system. WildTeaming reveals previously unidentified vulnerabilities of frontier LLMs, resulting in more diverse and successful adversarial attacks compared to state-of-the-art jailbreaking methods. While there exist many datasets for jailbreak evaluation, very few open-source datasets exist for jailbreak training, as safety training data has been closed among all frontier models even when their weights are open. Therefore, with WildTeaming we create WildJailbreak, a large-scale open-source synthetic safety dataset with 262K vanilla (direct request) and adversarial (complex jailbreak) prompt-response pairs. In order to mitigate exaggerated safety behaviors, WildJailbreak provides two contrastive types of queries: 1) harmful queries (both vanilla and adversarial) and 2) benign queries that resemble harmful queries in form but contain no harmful intent. As WildJailbreak considerably upgrades the quality and scale of existing safety resources, it uniquely enables us to examine the scaling effects of data and the interplay of data properties and model capabilities during safety training. Through extensive model training and evaluations, we identify the training properties that enable an ideal balance of safety behaviors: appropriate safeguarding without over-refusal, effective handling of both vanilla and adversarial queries, and minimal, if any, decrease in general capabilities. All the components of WildJailbreak contribute to achieving balanced safety behaviors of models
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A core aim in theoretical and systems neuroscience is to develop models which help us better understand biological intelligence. Such models range broadly in both complexity and biological plausibility. One widely-adopted example is task-optimized recurrent neural networks (RNNs), which have been used to generate hypotheses about how the brain’s neural dynamics may organize to accomplish tasks. However, task-optimized RNNs typically have a fixed weight matrix representing the synaptic connectivity between neurons. From decades of neuroscience research, we know that synaptic weights are constantly changing, controlled in part by chemicals such as neuromodulators. In this work we explore the computational implications of synaptic gain scaling, a form of neuromodulation, using task-optimized low-rank RNNs. In our neuromodulated RNN (NM-RNN) model, a neuromodulatory subnetwork outputs a low-dimensional neuromodulatory signal that dynamically scales the low-rank recurrent weights of an output-generating RNN. In empirical experiments, we find that the structured flexibility in the NM-RNN allows it to both train and generalize with a higher degree of accuracy than low-rank RNNs on a set of canonical tasks. Additionally, via theoretical analyses we show how neuromodulatory gain scaling endows networks with gating mechanisms commonly found in artificial RNNs. We end by analyzing the low-rank dynamics of trained NM-RNNs, to show how task computations are distributed.
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Machine learning systems are widely used in many high-stakes contexts in which experimental designs for assigning treatments are infeasible. When evaluating a decision instance is costly, such as investigating a fraud case, or evaluating a biopsy decision, a sample-efficient strategy is needed. However, while existing active learning methods assume humans will always label the instances selected by the machine learning model, in many critical applications, humans may decline to label instances selected by the machine learning model due to reasons such as regulation constraint, domain knowledge, or algorithmic aversion, thus not sample efficient. In this paper, we propose the Active Learning with Instance Rejection (ALIR) problem, which is a new active learning problem that considers the human discretion behavior for high-stakes decision making problems. We propose new active learning algorithms under deep Bayesian active learning for selective labeling (SEL-BALD) to address the ALIR problem. Our algorithms consider how to acquire information for both the machine learning model and the human discretion model. We conduct experiments on both synthetic and real-world datasets to demonstrate the effectiveness of our proposed algorithms.
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Today's online platforms heavily lean on algorithmic recommendations for bolstering user engagement and driving revenue. However, these recommendations can impact multiple stakeholders simultaneously---the platform, items (sellers), and users (customers)---each with their unique objectives, making it difficult to find the right middle ground that accommodates all stakeholders. To address this, we introduce a novel fair recommendation framework, Problem (FAIR), that flexibly balances multi-stakeholder interests via a constrained optimization formulation. We next explore Problem (FAIR) in a dynamic online setting where data uncertainty further adds complexity, and propose a low-regret algorithm FORM that concurrently performs real-time learning and fair recommendations, two tasks that are often at odds. Via both theoretical analysis and a numerical case study on real-world data, we demonstrate the efficacy of our framework and method in maintaining platform revenue while ensuring desired levels of fairness for both items and users.
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Low Rank Adaptation (LoRA) has gained massive attention in the recent generative AI research. One of the main advantages of LoRA is its ability to be fused with pretrained models, adding no overhead during inference. However, from a mobile deployment standpoint, we can either avoid inference overhead in the fused mode but lose the ability to switch adapters rapidly, or suffer significant (up to 30% higher) inference latency while enabling rapid switching in the unfused mode. LoRA also exhibits concept-loss when multiple adapters are used concurrently. In this paper, we propose Sparse High Rank Adapters (SHiRA), a new paradigm which incurs no inference overhead, enables rapid switching, and significantly reduces concept-loss. Specifically, SHiRA can be trained by directly tuning only 1-2% of the base model weights while leaving others unchanged. This results in a highly sparse adapter which can be switched directly in the fused mode. We further provide theoretical and empirical insights on how high sparsity in SHiRA can aid multi-adapter fusion by reducing concept loss. Our extensive experiments on LVMs and LLMs demonstrate that finetuning only a small fraction of the parameters in the base model significantly outperforms LoRA while enabling both rapid switching and multi-adapter fusion. Finally, we provide a latency- and memory-efficient SHiRA implementation based on Parameter-Efficient Finetuning (PEFT) Library which trains at nearly the same speed as LoRA while consuming up to 16% lower peak GPU memory, thus making SHiRA easy to adopt for practical use cases. To demonstrate rapid switching benefits during inference, we show that loading SHiRA on a base model can be 5x-16x faster than LoRA fusion on a CPU.
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We propose using mechanistic interpretability -- techniques for reverse engineering model weights into human-interpretable algorithms -- to derive and compactly prove formal guarantees on model performance. We prototype this approach by formally proving accuracy lower bounds for a small transformer trained on Max-of-$K$, validating proof transferability across 151 random seeds and four values of $K$. We create 102 different computer-assisted proof strategies and assess their length and tightness of bound on each of our models. Using quantitative metrics, we find that shorter proofs seem to require and provide more mechanistic understanding. Moreover, we find that more faithful mechanistic understanding leads to tighter performance bounds. We confirm these connections by qualitatively examining a subset of our proofs. Finally, we identify compounding structureless errors as a key challenge for using mechanistic interpretability to generate compact proofs on model performance.
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Large Language Models (LLMs) have achieved remarkable success in various natural language processing tasks, including language modeling, understanding, and generation. However, the increased memory and computational costs associated with these models pose significant challenges for deployment on resource-limited devices. Structural pruning has emerged as a promising solution to reduce the costs of LLMs without requiring post-processing steps. Prior structural pruning methods either follow the dependence of structures at the cost of limiting flexibility, or introduce non-trivial additional parameters by incorporating different projection matrices. In this work, we propose a novel approach that relaxes the constraint imposed by regular structural pruning methods and eliminates the structural dependence along the embedding dimension. Our dimension-independent structural pruning method offers several benefits. Firstly, our method enables different blocks to utilize different subsets of the feature maps. Secondly, by removing structural dependence, we facilitate each block to possess varying widths along its input and output dimensions, thereby significantly enhancing the flexibility of structural pruning. We evaluate our method on various LLMs, including OPT, LLaMA, LLaMA-2, Phi-1.5, and Phi-2. Experimental results demonstrate that our approach outperforms other state-of-the-art methods, showing for the first time that structural pruning can achieve an accuracy similar to semi-structural pruning.
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Implicit neural representations (INRs) have demonstrated success in a variety of applications, including inverse problems and neural rendering. An INR is typically trained to capture one signal of interest, resulting in learned neural features that are highly attuned to that signal. Assumed to be less generalizable, we explore the aspect of transferability of such learned neural features for fitting similar signals. We introduce a new INR training framework, STRAINER that learns transferable features for fitting INRs to new signals from a given distribution, faster and with better reconstruction quality. Owing to the sequential layer-wise affine operations in an INR, we propose to learn transferable representations by sharing initial encoder layers across multiple INRs with independent decoder layers. At test time, the learned encoder representations are transferred as initialization for an otherwise randomly initialized INR. We find STRAINER to yield extremely powerful initialization for fitting images from the same domain and allow for a ≈ +10dB gain in signal quality early on compared to an untrained INR itself. STRAINER also provides a simple way to encode data-driven priors in INRs. We evaluate STRAINER on multiple in-domain and out-of-domain signal fitting tasks and inverse problems and further provide detailed analysis and discussion on the transferability of STRAINER’s features.
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In the strategic facility location problem, a set of agents report their locations in a metric space and the goal is to use these reports to open a new facility, minimizing an aggregate distance measure from the agents to the facility. However, agents are strategic and may misreport their locations to influence the facility’s placement in their favor. The aim is to design truthful mechanisms, ensuring agents cannot gain by misreporting. This problem was recently revisited through the learning-augmented framework, aiming to move beyond worst-case analysis and design truthful mechanisms that are augmented with (machine-learned) predictions. The focus of this work was on mechanisms that are deterministic and augmented with a prediction regarding the optimal facility location. In this paper, we provide a deeper understanding of this problem by exploring the power of randomization as well as the impact of different types of predictions on the performance of truthful learning-augmented mechanisms. We study both the single-dimensional and the Euclidean case and provide upper and lower bounds regarding the achievable approximation of the optimal egalitarian social cost.
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The ability of learning useful features is one of the major advantages of neural networks. Although recent works show that neural network can operate in a neural tangent kernel (NTK) regime that does not allow feature learning, many works also demonstrate the potential for neural networks to go beyond NTK regime and perform feature learning. Recently, a line of work highlighted the feature learning capabilities of the early stages of gradient-based training. In this paper we consider another mechanism for feature learning via gradient descent through a local convergence analysis. We show that once the loss is below a certain threshold, gradient descent with a carefully regularized objective will capture ground-truth directions. We further strengthen this local convergence analysis by incorporating early-stage feature learning analysis. Our results demonstrate that feature learning not only happens at the initial gradient steps, but can also occur towards the end of training.
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Recent research has shown that representation learning models may accidentally memorize their training data. For example, the déjà vu method shows that for certain representation learning models and training images, it is sometimes possible to correctly predict the foreground label given only the representation of he background – better than through dataset-level correlations. However, their measurement method requires training two models – one to estimate dataset-level correlations and the other to estimate memorization. This multiple model setup becomes infeasible for large open-source models. In this work, we propose alter native simple methods to estimate dataset-level correlations, and show that these can be used to approximate an off-the-shelf model’s memorization ability without any retraining. This enables, for the first time, the measurement of memorization in pre-trained open-source image representation and vision-language models. Our results show that different ways of measuring memorization yield very similar aggregate results. We also find that open-source models typically have lower aggregate memorization than similar models trained on a subset of the data. The code is available both for vision (https://github.com/facebookresearch/DejaVuOSS) and vision language (https://github.com/facebookresearch/VLMDejaVu) models.
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Graph Neural Networks (GNNs) experience "catastrophic forgetting" in continual learning setups, where they tend to lose previously acquired knowledge and perform poorly on old tasks. Rehearsal-based methods, which consolidate old knowledge with a replay memory buffer, are a de facto solution due to their straightforward workflow. However, these methods often fail to adequately capture topological information, leading to incorrect input-label mappings in replay samples. To address this, we propose TACO, a topology-aware graph coarsening and continual learning framework that stores information from previous tasks as a reduced graph. Throughout each learning period, this reduced graph expands by integrating with a new graph and aligning shared nodes, followed by a "zoom-out" reduction process to maintain a stable size. We have developed a graph coarsening algorithm based on node representation proximities to efficiently reduce a graph while preserving essential topological information. We empirically demonstrate that the learning process on the reduced graph can closely approximate that on the original graph. We compare TACO with a wide range of state-of-the-art baselines, proving its superiority and the necessity of preserving high-quality topological information for effective replaying.
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We introduce a new functional representation for 3D molecules based on their continuous atomic density fields. Using this representation, we propose a new model based on neural empirical Bayes for unconditional 3D molecule generation in the continuous space using neural fields. Our model, FuncMol, encodes molecular fields into latent codes using a conditional neural field, samples noisy codes from a Gaussian-smoothed distribution with Langevin MCMC, denoises these samples in a single step and finally decodes them into molecular fields. FuncMol performs all-atom generation of 3D molecules without assumptions on the molecular structure and scales well with the size of molecules, unlike most existing approaches. Our method achieves competitive results on drug-like molecules and easily scales to macro-cyclic peptides, with at least one order of magnitude faster sampling. The code is available at https://github.com/prescient-design/funcmol.
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Co-crystallization is an accessible way to control physicochemical characteristics of organic crystals, which finds many biomedical applications. In this work, we present Generative Method for Co-crystal Design (GEMCODE), a novel pipeline for automated co-crystal screening based on the hybridization of deep generative models and evolutionary optimization for broader exploration of the target chemical space. GEMCODE enables fast *de novo* co-crystal design with target tabletability profiles, which is crucial for the development of pharmaceuticals. With a series of experimental studies highlighting validation and discovery cases, we show that GEMCODE is effective even under realistic computational constraints. Furthermore, we explore the potential of language models in generating co-crystals. Finally, we present numerous previously unknown co-crystals predicted by GEMCODE and discuss its potential in accelerating drug development.
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Differential privacy is the dominant standard for formal and quantifiable privacy and has been used in major deployments that impact millions of people. Many differentially private algorithms for query release and synthetic data contain steps that reconstruct answers to queries from answers to other queries that have been measured privately. Reconstruction is an important subproblem for such mechanisms to economize the privacy budget, minimize error on reconstructed answers, and allow for scalability to high-dimensional datasets. In this paper, we introduce a principled and efficient postprocessing method ReM (Residuals-to-Marginals) for reconstructing answers to marginal queries. Our method builds on recent work on efficient mechanisms for marginal query release, based on making measurements using a residual query basis that admits efficient pseudoinversion, which is an important primitive used in reconstruction. An extension GReM-LNN (Gaussian Residuals-to-Marginals with Local Non-negativity) reconstructs marginals under Gaussian noise satisfying consistency and non-negativity, which often reduces error on reconstructed answers. We demonstrate the utility of ReM and GReM-LNN by applying them to improve existing private query answering mechanisms.
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We study the constant regret guarantees in reinforcement learning (RL). Our objective is to design an algorithm that incurs only finite regret over infinite episodes with high probability. We introduce an algorithm, Cert-LSVI-UCB, for misspecified linear Markov decision processes (MDPs) where both the transition kernel and the reward function can be approximated by some linear function up to misspecification level $\zeta$. At the core of Cert-LSVI-UCB is an innovative certified estimator, which facilitates a fine-grained concentration analysis for multi-phase value-targeted regression, enabling us to establish an instance-dependent regret bound that is constant w.r.t. the number of episodes. Specifically, we demonstrate that for a linear MDP characterized by a minimal suboptimality gap $\Delta$, Cert-LSVI-UCB has a cumulative regret of $\tilde{\mathcal{O}}(d^3H^5/\Delta)$ with high probability, provided that the misspecification level $\zeta$ is below $\tilde{\mathcal{O}}(\Delta / (\sqrt{d}H^2))$. Here $d$ is the dimension of the feature space and $H$ is the horizon. Remarkably, this regret bound is independent of the number of episodes $K$. To the best of our knowledge, Cert-LSVI-UCB is the first algorithm to achieve a constant, instance-dependent, high-probability regret bound in RL with linear function approximation without relying on prior distribution assumptions.
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Algorithms that utilize bandit feedback to optimize top-k recommendations are vital for online marketplaces, search engines, and content platforms. However, the combinatorial nature of this problem poses a significant challenge, as the possible number of ordered top-k recommendations from $n$ items grows exponentially with $k$. As a result, previous work often relies on restrictive assumptions about the reward or bandit feedback models, such as assuming that the feedback discloses rewards for each recommended item rather than a single scalar feedback for the entire set of top-k recommendations. We introduce a novel contextual bandit algorithm for top-k recommendations, leveraging a Gaussian process with a Kendall kernel to model the reward function. Our algorithm requires only scalar feedback from the top-k recommendations and does not impose restrictive assumptions on the reward structure. Theoretical analysis confirms that the proposed algorithm achieves sub-linear regret in relation to the number of rounds and arms. Additionally, empirical results using a bandit simulator demonstrate that the proposed algorithm outperforms other baselines across various scenarios.
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Link prediction, which aims to forecast unseen connections in graphs, is a fundamental task in graph machine learning. Heuristic methods, leveraging a range of different pairwise measures such as common neighbors and shortest paths, often rival the performance of vanilla Graph Neural Networks (GNNs). Therefore, recent advancements in GNNs for link prediction (GNN4LP) have primarily focused on integrating one or a few types of pairwise information. In this work, we reveal that different node pairs within the same dataset necessitate varied pairwise information for accurate prediction and models that only apply the same pairwise information uniformly could achieve suboptimal performance. As a result, we propose a simple mixture of experts model Link-MoE for link prediction. Link-MoE utilizes various GNNs as experts and strategically selects the appropriate expert for each node pair based on various types of pairwise information. Experimental results across diverse real-world datasets demonstrate substantial performance improvement from Link-MoE. Notably, Link-Mo achieves a relative improvement of 18.71% on the MRR metric for the Pubmed dataset and 9.59% on the Hits@100 metric for the ogbl-ppa dataset, compared to the best baselines. The code is available at https://github.com/ml-ml/Link-MoE/.
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Despite the effectiveness of data selection for pretraining and instruction fine-tuning large language models (LLMs), improving data efficiency in supervised fine-tuning (SFT) for specialized domains poses significant challenges due to the complexity of fine-tuning data. To bridge this gap, we introduce an effective and scalable data selection method for SFT, SmallToLarge (S2L), which trains a small model, clusters loss trajectories of the examples, and samples from these clusters to guide data selection for larger models. We prove that during fine-tuning, samples within the same loss trajectory cluster exhibit similar gradients. Then, we show that S2L subsets have a bounded gradient error w.r.t. the full data, hence guarantee convergence to the neighborhood of the optimal solution. We demonstrate through extensive experiments that S2L significantly improves data efficiency in SFT for mathematical problem-solving, reducing the training data requirement to just $11$% of the original MathInstruct dataset to match full dataset performance while outperforming state-of-the-art data selection algorithms by an average of $4.7$% across $6$ in- and out-domain evaluation datasets. Remarkably, selecting only 50K data for SFT, S2L achieves a $32.7$% accuracy on the challenging MATH benchmark, improving Phi-2 by $16.6$%. In clinical text summarization on the MIMIC-III dataset, S2L again outperforms training on the full dataset using only $50$% of the data. Notably, S2L can perform scalable data selection using a reference model $100\times$ smaller than the target model, proportionally reducing the computational cost.
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Implicit neural networks including deep equilibrium models have achieved superior task performance with better parameter efficiency in various applications. However, it is often at the expense of higher computation costs during inference. In this work, we identify a phenomenon named $\textbf{heterogeneous convergence}$ that exists in deep equilibrium models and other iterative methods. We observe much faster convergence of state activations in certain dimensions therefore indicating the dimensionality of the underlying dynamics of the forward pass is much lower than the defined dimension of the states. We thereby propose to exploit heterogeneous convergence by storing past linear operation results (e.g., fully connected and convolutional layers) and only propagating the state activation when its change exceeds a threshold. Thus, for the already converged dimensions, the computations can be skipped. We verified our findings and reached 84\% FLOPs reduction on the implicit neural representation task, 73\% on the Sintel and 76\% on the KITTI datasets for the optical flow estimation task while keeping comparable task accuracy with the models that perform the full update.
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Tabular data is a pervasive modality spanning a wide range of domains, and this inherent diversity poses a considerable challenge for deep learning. Recent advancements using transformer-based in-context learning have shown promise on smaller and less complex tabular datasets, but have struggled to scale to larger and more complex ones. To address this limitation, we propose a combination of retrieval and fine-tuning: we can adapt the transformer to a local subset of the data by collecting nearest neighbours, and then perform task-specific fine-tuning with this retrieved set of neighbours in context. Using TabPFN as the base model -- currently the best tabular in-context learner -- and applying our retrieval and fine-tuning scheme on top results in what we call a locally-calibrated PFN, or LoCalPFN. We conduct extensive evaluation on 95 datasets curated by TabZilla from OpenML, upon which we establish a new state-of-the-art with LoCalPFN -- even with respect to tuned tree-based models. Notably, we show a significant boost in performance compared to the base in-context model, demonstrating the efficacy of our approach and advancing the frontier of deep learning in tabular data.
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Bayesian optimization is a technique for efficiently optimizing unknown functions in a black-box manner. To handle practical settings where gathering data requires use of finite resources, it is desirable to explicitly incorporate function evaluation costs into Bayesian optimization policies. To understand how to do so, we develop a previously-unexplored connection between cost-aware Bayesian optimization and the Pandora's Box problem, a decision problem from economics. The Pandora's Box problem admits a Bayesian-optimal solution based on an expression called the Gittins index, which can be reinterpreted as an acquisition function. We study the use of this acquisition function for cost-aware Bayesian optimization, and demonstrate empirically that it performs well, particularly in medium-high dimensions. We further show that this performance carries over to classical Bayesian optimization without explicit evaluation costs. Our work constitutes a first step towards integrating techniques from Gittins index theory into Bayesian optimization.
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Online Budgeted Matching (OBM) is a classic problem with important applications in online advertising, online service matching, revenue management, and beyond. Traditional online algorithms typically assume a small bid setting, where the maximum bid-to-budget ratio ($\kappa$) is infinitesimally small. While recent algorithms have tried to address scenarios with non-small or general bids, they often rely on the Fractional Last Matching (FLM) assumption, which allows for accepting partial bids when the remaining budget is insufficient. This assumption, however, does not hold for many applications with indivisible bids. In this paper, we remove the FLM assumption and tackle the open problem of OBM with general bids. We first establish an upper bound of $1-\kappa$ on the competitive ratio for any deterministic online algorithm. We then propose a novel meta algorithm, called MetaAd, which reduces to different algorithms with first known provable competitive ratios parameterized by the maximum bid-to-budget ratio $\kappa\in [0,1]$. As a by-product, we extend MetaAd to the FLM setting and get provable competitive algorithms. Finally, we apply our competitive analysis to the design learning- augmented algorithms.
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We consider the challenge of mitigating the generation of negative or toxic content by the Large Language Models (LLMs) in response to certain prompts. We propose integrating risk-averse principles into LLM fine-tuning to minimize the occurrence of harmful outputs, particularly rare but significant events. By optimizing the risk measure of Conditional Value at Risk (CVaR), our methodology trains LLMs to exhibit superior performance in avoiding toxic outputs while maintaining effectiveness in generative tasks. Empirical evaluations on sentiment modification and toxicity mitigation tasks demonstrate the efficacy of risk-averse reinforcement learning with human feedback (RLHF) in promoting a safer and more constructive online discourse environment.
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Large language models (LLMs) typically utilize the top-k contexts from a retriever in retrieval-augmented generation (RAG). In this work, we propose a novel method called RankRAG, which instruction-tunes a single LLM for both context ranking and answer generation in RAG. In particular, the instruction-tuned LLMs work surprisingly well by adding a small fraction of ranking data into the training blend, and outperform existing expert ranking models, including the same LLM exclusively fine-tuned on a large amount of ranking data. For generation, we compare our model with many strong baselines, including ChatQA-1.5, an open-sourced model with the state-of-the-art performance on RAG benchmarks. Specifically, our Llama3-RankRAG-8B and Llama3-RankRAG-70B significantly outperform Llama3-ChatQA-1.5-8B and Llama3-ChatQA-1.5-70B, respectively, on nine general knowledge-intensive benchmarks for RAG. In addition, it also performs comparably to GPT-4 on five RAG benchmarks in the biomedical domain without instruction fine-tuning on biomedical data, demonstrating its superb capability for generalization to new domains.
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Graph anomaly detection (GAD), which aims to identify abnormal nodes that differ from the majority within a graph, has garnered significant attention. However, current GAD methods necessitate training specific to each dataset, resulting in high training costs, substantial data requirements, and limited generalizability when being applied to new datasets and domains. To address these limitations, this paper proposes ARC, a generalist GAD approach that enables a ``one-for-all'' GAD model to detect anomalies across various graph datasets on-the-fly. Equipped with in-context learning, ARC can directly extract dataset-specific patterns from the target dataset using few-shot normal samples at the inference stage, without the need for retraining or fine-tuning on the target dataset. ARC comprises three components that are well-crafted for capturing universal graph anomaly patterns: 1) smoothness-based feature **A**lignment module that unifies the features of different datasets into a common and anomaly-sensitive space; 2) ego-neighbor **R**esidual graph encoder that learns abnormality-related node embeddings; and 3) cross-attentive in-**C**ontext anomaly scoring module that predicts node abnormality by leveraging few-shot normal samples. Extensive experiments on multiple benchmark datasets from various domains demonstrate the superior anomaly detection performance, efficiency, and generalizability of ARC.
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Recent advances in techniques for monitoring and perturbing neural populations have greatly enhanced our ability to study circuits in the brain. In particular, two-photon holographic optogenetics now enables precise photostimulation of experimenter-specified groups of individual neurons, while simultaneous two-photon calcium imaging enables the measurement of ongoing and induced activity across the neural population. Despite the enormous space of potential photostimulation patterns and the time-consuming nature of photostimulation experiments, very little algorithmic work has been done to determine the most effective photostimulation patterns for identifying the neural population dynamics. Here, we develop methods to efficiently select which neurons to stimulate such that the resulting neural responses will best inform a dynamical model of the neural population activity. Using neural population responses to photostimulation in mouse motor cortex, we demonstrate the efficacy of a low-rank linear dynamical systems model, and develop an active learning procedure which takes advantage of low-rank structure to determine informative photostimulation patterns. We demonstrate our approach on both real and synthetic data, obtaining in some cases as much as a two-fold reduction in the amount of data required to reach a given predictive power. Our active stimulation design method is based on a novel active learning procedure for low-rank regression, which may be of independent interest.
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Data heterogeneity among Federated Learning (FL) users poses a significant challenge, resulting in reduced global model performance. The community has designed various techniques to tackle this issue, among which Knowledge Distillation (KD)-based techniques are common. While these techniques effectively improve performance under high heterogeneity, they inadvertently cause higher accuracy degradation under model poisoning attacks (known as \emph{attack amplification}). This paper presents a case study to reveal this critical vulnerability in KD-based FL systems. We show why KD causes this issue through empirical evidence and use it as motivation to design a hybrid distillation technique. We introduce a novel algorithm, Hybrid Knowledge Distillation for Robust and Accurate FL (HYDRA-FL), which reduces the impact of attacks in attack scenarios by offloading some of the KD loss to a shallow layer via an auxiliary classifier. We model HYDRA-FL as a generic framework and adapt it to two KD-based FL algorithms, FedNTD and MOON. Using these two as case studies, we demonstrate that our technique outperforms baselines in attack settings while maintaining comparable performance in benign settings.
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Recovering the underlying clustering of a set $U$ of $n$ points by asking pair-wise same-cluster queries has garnered significant interest in the last decade. Given a query $S \subset U$, $|S|=2$, the oracle returns "yes" if the points are in the same cluster and "no" otherwise. We study a natural generalization of this problem to subset queries for $|S|>2$, where the oracle returns the number of clusters intersecting $S$. Our aim is to determine the minimum number of queries needed for exactly recovering an arbitrary $k$-clustering. We focus on non-adaptive schemes, where all the queries are asked in one round, thus allowing for the querying process to be parallelized, which is a highly desirable property. For adaptive algorithms with pair-wise queries, the complexity is known to be $\Theta(nk)$, where $k$ is the number of clusters. In contrast, non-adaptive pair-wise query algorithms are extremely limited: even for $k=3$, such algorithms require $\Omega(n^2)$ queries, which matches the trivial $O(n^2)$ upper bound attained by querying every pair of points. Allowing for subset queries of unbounded size, $O(n)$ queries is possible with an adaptive scheme. However, the realm of non-adaptive algorithms remains completely unknown. Is it possible to attain algorithms that are non-adaptive while still making a near-linear number of queries? In this paper, we give the first non-adaptive algorithms for clustering with subset queries. We provide, (i) a non-adaptive algorithm making $O(n \log^2 n \log k)$ queries which improves to $O(n \log k)$ when the cluster sizes are within any constant factor of each other, (ii) for constant $k$, a non-adaptive algorithm making $O(n \log{\log{n}})$ queries. In addition to non-adaptivity, we take into account other practical considerations, such as enforcing a bound on query size. For constant $k$, we give an algorithm making $\smash{\widetilde{O}(n^2/s^2)}$ queries on subsets of size at most $s \leq \sqrt{n}$, which is optimal among all non-adaptive algorithms within a $\log n$-factor. For arbitrary $k$, the dependence varies as $\tilde{O}(n^2/s)$.
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Time series generation is a crucial aspect of data analysis, playing a pivotal role in learning the temporal patterns and their underlying dynamics across diverse fields. Conventional time series generation methods often struggle to capture extreme values adequately, diminishing their value in critical applications such as scenario planning and management for healthcare, finance, climate change adaptation, and beyond. In this paper, we introduce a conditional diffusion model called FIDE to address the challenge of preserving the distribution of extreme values in generative modeling for time series. FIDE employs a novel high-frequency inflation strategy in the frequency domain, preventing premature fade-out of the extreme value. It also extends traditional diffusion-based model, enabling the generation of samples conditioned on the block maxima, thereby enhancing the model's capacity to capture extreme events. Additionally, the FIDE framework incorporates the Generalized Extreme Value (GEV) distribution within its generative modeling framework, ensuring fidelity to both block maxima and overall data distribution. Experimental results on real-world and synthetic data showcase the efficacy of FIDE over baseline methods, highlighting its potential in advancing Generative AI for time series analysis, specifically in accurately modeling extreme events.
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We study the problem of estimating the means of well-separated mixtures when an adversary may add arbitrary outliers. While strong guarantees are available when the outlier fraction is significantly smaller than the minimum mixing weight, much less is known when outliers may crowd out low-weight clusters – a setting we refer to as list-decodable mixture learning (LD-ML). In this case, adversarial outliers can simulate additional spurious mixture components. Hence, if all means of the mixture must be recovered up to a small error in the output list, the list size needs to be larger than the number of (true) components. We propose an algorithm that obtains order-optimal error guarantees for each mixture mean with a minimal list-size overhead, significantly improving upon list-decodable mean estimation, the only existing method that is applicable for LD-ML. Although improvements are observed even when the mixture is non-separated, our algorithm achieves particularly strong guarantees when the mixture is separated: it can leverage the mixture structure to partially cluster the samples before carefully iterating a base learner for list-decodable mean estimation at different scales.
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The field of graph learning has been substantially advanced by the development of deep learning models, in particular graph neural networks. However, one salient yet largely under-explored challenge is detecting Out-of-Distribution (OOD) nodes on graphs. Prevailing OOD detection techniques developed in other domains like computer vision, do not cater to the interconnected nature of graphs. This work aims to fill this gap by exploring the potential of a simple yet effective method -- OOD score propagation, which propagates OOD scores among neighboring nodes along the graph structure. This post hoc solution can be easily integrated with existing OOD scoring functions, showcasing its excellent flexibility and effectiveness in most scenarios. However, the conditions under which score propagation proves beneficial remain not fully elucidated. Our study meticulously derives these conditions and, inspired by this discovery, introduces an innovative edge augmentation strategy with theoretical guarantee. Empirical evaluations affirm the superiority of our proposed method, outperforming strong OOD detection baselines in various scenarios and settings.
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The field of novel view synthesis from images has seen rapid advancements with the introduction of Neural Radiance Fields (NeRF) and more recently with 3D Gaussian Splatting. Gaussian Splatting became widely adopted due to its efficiency and ability to render novel views accurately. While Gaussian Splatting performs well when a sufficient amount of training images are available, its unstructured explicit representation tends to overfit in scenarios with sparse input images, resulting in poor rendering performance. To address this, we present a 3D Gaussian-based novel view synthesis method using sparse input images that can accurately render the scene from the viewpoints not covered by the training images. We propose a multi-stage training scheme with matching-based consistency constraints imposed on the novel views without relying on pre-trained depth estimation or diffusion models. This is achieved by using the matches of the available training images to supervise the generation of the novel views sampled between the training frames with color, geometry, and semantic losses. In addition, we introduce a locality preserving regularization for 3D Gaussians which removes rendering artifacts by preserving the local color structure of the scene. Evaluation on synthetic and real-world datasets demonstrates competitive or superior performance of our method in few-shot novel view synthesis compared to existing state-of-the-art methods.
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Since the rapid development of Large Language Models (LLMs) has achieved remarkable success, understanding and rectifying their internal complex mechanisms has become an urgent issue. Recent research has attempted to interpret their behaviors through the lens of inner representation. However, developing practical and efficient methods for applying these representations for general and flexible model editing remains challenging. In this work, we explore how to leverage insights from representation engineering to guide the editing of LLMs by deploying a representation sensor as an editing oracle. We first identify the importance of a robust and reliable sensor during editing, then propose an \textbf{A}dversarial \textbf{R}epresentation \textbf{E}ngineering (\textbf{ARE}) framework to provide a unified and interpretable approach for conceptual model editing without compromising baseline performance. Experiments on multiple tasks demonstrate the effectiveness of ARE in various model editing scenarios. Our code and data are available at \url{https://github.com/Zhang-Yihao/Adversarial-Representation-Engineering}.
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Districting is a complex combinatorial problem that consists in partitioning a geographical area into small districts. In logistics, it is a major strategic decision determining operating costs for several years. Solving districting problems using traditional methods is intractable even for small geographical areas and existing heuristics often provide sub-optimal results. We present a structured learning approach to find high-quality solutions to real-world districting problems in a few minutes. It is based on integrating a combinatorial optimization layer, the capacitated minimum spanning tree problem, into a graph neural network architecture. To train this pipeline in a decision-aware fashion, we show how to construct target solutions embedded in a suitable space and learn from target solutions. Experiments show that our approach outperforms existing methods as it can significantly reduce costs on real-world cities.
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We consider a clustering problem where a learner seeks to partition a finite set by querying a faulty oracle. This models applications where learners crowdsource information from non-expert human workers or conduct noisy experiments to determine group structure. The learner aims to exactly recover a partition by submitting queries of the form ``are $u$ and $v$ in the same group?'' for any pair of elements $u$ and $v$ in the set. Moreover, because the learner only has access to faulty sources of information, they require an error-tolerant algorithm for this task: i.e. they must fully recover the correct partition, even if up to $\ell$ answers are incorrect, for some error-tolerance parameter $\ell$. We study the question: for any given error-tolerance $\ell$, what is the minimum number of queries needed to learn a finite set partition of $n$ elements into $k$ groups? We design algorithms for this task and prove that they achieve optimal query complexity. To analyze our algorithms, we first highlight a connection between this task and correlation clustering. We then use this connection to build a Rényi-Ulam style analytical framework for this problem, which yields matching lower bounds. Our analysis also reveals an inherent asymmetry between the query complexity necessary to be robust against false negative errors as opposed to false positive errors.
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Pretrained diffusion models (DMs) have recently been popularly used in solving inverse problems (IPs). The existing methods mostly interleave iterative steps in the reverse diffusion process and iterative steps to bring the iterates closer to satisfying the measurement constraint. However, such interleaving methods struggle to produce final results that look like natural objects of interest (i.e., manifold feasibility) and fit the measurement (i.e., measurement feasibility), especially for nonlinear IPs. Moreover, their capabilities to deal with noisy IPs with unknown types and levels of measurement noise are unknown. In this paper, we advocate viewing the reverse process in DMs as a function and propose a novel plug-in method for solving IPs using pretrained DMs, dubbed DMPlug. DMPlug addresses the issues of manifold feasibility and measurement feasibility in a principled manner, and also shows great potential for being robust to unknown types and levels of noise. Through extensive experiments across various IP tasks, including two linear and three nonlinear IPs, we demonstrate that DMPlug consistently outperforms state-of-the-art methods, often by large margins especially for nonlinear IPs.
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We consider the problem of crystal materials generation using language models (LMs). A key step is to convert 3D crystal structures into 1D sequences to be processed by LMs. Prior studies used the crystallographic information framework (CIF) file stream, which fails to ensure SE(3) and periodic invariance and may not lead to unique sequence representations for a given crystal structure. Here, we propose a novel method, known as Mat2Seq, to tackle this challenge. Mat2Seq converts 3D crystal structures into 1D sequences and ensures that different mathematical descriptions of the same crystal are represented in a single unique sequence, thereby provably achieving SE(3) and periodic invariance. Experimental results show that, with language models, Mat2Seq achieves promising performance in crystal structure generation as compared with prior methods.
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We present *knowledge continuity*, a novel definition inspired by Lipschitz continuity which aims to certify the robustness of neural networks across input domains (such as continuous and discrete domains in vision and language, respectively). Most existing approaches that seek to certify robustness, especially Lipschitz continuity, lie within the continuous domain with norm and distribution-dependent guarantees. In contrast, our proposed definition yields certification guarantees that depend only on the loss function and the intermediate learned metric spaces of the neural network. These bounds are independent of domain modality, norms, and distribution. We further demonstrate that the expressiveness of a model class is not at odds with its knowledge continuity. This implies that achieving robustness by maximizing knowledge continuity should not theoretically hinder inferential performance. Finally, to complement our theoretical results, we present several applications of knowledge continuity such as regularization, a certification algorithm, and show that knowledge continuity can be used to localize vulnerable components of a neural network.
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This paper concerns the problem of aligning samples from large language models to human preferences using *best-of-$n$* sampling, where we draw $n$ samples, rank them, and return the best one. We consider two fundamental problems. First: what is the relationship between best-of-$n$ and other (RLHF-type) approaches to aligning LLMs? In particular, when should one be preferred to the other? We show that the best-of-$n$ sampling distribution is essentially equivalent to the policy learned by RLHF if we apply a particular monotone transformation to the reward function. Moreover, we show that this transformation yields the best possible trade-off between win-rate against the base model vs KL distance from the base model. Then, best-of-$n$ is a Pareto-optimal win-rate vs KL solution. The second problem we consider is how to fine-tune a model to mimic the best-of-$n$ sampling distribution, to avoid drawing $n$ samples for each inference. We derive *BonBon Alignment* as a method for achieving this. Experiments show that BonBon alignment yields a model that achieves high win rates while minimally affecting off-target aspects of the generations.
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Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the form of computational uncertainty, which enables---at the cost of quadratic complexity---an explicit tradeoff between computation and precision. Here we extend this development to model selection, which requires significant enhancements to the existing approach, including linear-time scaling in the size of the dataset. We propose a novel training loss for hyperparameter optimization and demonstrate empirically that the resulting method can outperform SGPR, CGGP and SVGP, state-of-the-art methods for GP model selection, on medium to large-scale datasets. Our experiments show that model selection for computation-aware GPs trained on 1.8 million data points can be done within a few hours on a single GPU. As a result of this work, Gaussian processes can be trained on large-scale datasets without significantly compromising their ability to quantify uncertainty---a fundamental prerequisite for optimal decision-making.
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Embedders play a central role in machine learning, projecting any object into numerical representations that can, in turn, be leveraged to perform various downstream tasks. The evaluation of embedding models typically depends on domain-specific empirical approaches utilizing downstream tasks, primarily because of the lack of a standardized framework for comparison. However, acquiring adequately large and representative datasets for conducting these assessments is not always viable and can prove to be prohibitively expensive and time-consuming. In this paper, we present a unified approach to evaluate embedders. First, we establish theoretical foundations for comparing embedding models, drawing upon the concepts of sufficiency and informativeness. We then leverage these concepts to devise a tractable comparison criterion (information sufficiency), leading to a task-agnostic and self-supervised ranking procedure. We demonstrate experimentally that our approach aligns closely with the capability of embedding models to facilitate various downstream tasks in both natural language processing and molecular biology. This effectively offers practitioners a valuable tool for prioritizing model trials.
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Probabilistic circuits (PCs) have emerged as a powerful framework compactly representing probability distributions for efficient and exact probabilistic inference. It has been shown that PCs with general directed acyclic graph (DAG) structure can be understood as a mixture of exponentially (in its height) many components, each of which is a product distributions over univariate marginals. However, existing structure learning algorithms for PCs often generate tree-structured circuits, or using tree-structured circuits as intermediate steps to compress them into DAG-structured circuits. This leads to an intriguing question on whether there exists an exponential gap between DAGs and trees for the PC structure. In this paper, we provide a negative answer to this conjecture by proving that, for $n$ variables, there is a quasi-polynomial upper bound $n^{O(\log n)}$ on the size of an equivalent tree computing the same probability distribution. On the other hand, we will also show that given a depth restriction on the tree, there is a super-polynomial separation between tree and DAG-structured PCs. Our work takes an important step towards understanding the expressive power of tree-structured PCs, and our techniques may be of independent interest in the study of structure learning algorithms for PCs.
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Recent text-to-image (T2I) generation models have demonstrated impressive capabilities in creating images from text descriptions. However, these T2I generation models often fail to generate images that precisely match the details of the text inputs, such as incorrect spatial relationship or missing objects. In this paper, we introduce SELMA: Skill-Specific Expert Learning and Merging with Auto-Generated Data, a novel paradigm to improve the faithfulness of T2I models by fine-tuning models on automatically generated, multi-skill image-text datasets, with skill-specific expert learning and merging. First, SELMA leverages an LLM’s in-context learning capability to generate multiple datasets of text prompts that can teach different skills, and then generates the images with a T2I model based on the prompts. Next, SELMA adapts the T2I model to the new skills by learning multiple single-skill LoRA (low-rank adaptation) experts followed by expert merging. Our independent expert fine-tuning specializes multiple models for different skills, and expert merging helps build a joint multi-skill T2I model that can generate faithful images given diverse text prompts, while mitigating the knowledge conflict from different datasets. We empirically demonstrate that SELMA significantly improves the semantic alignment and text faithfulness of state-of-the-art T2I diffusion models on multiple benchmarks (+2.1% on TIFA and +6.9% on DSG), human preference metrics (PickScore, ImageReward, and HPS), as well as human evaluation. Moreover, fine-tuning with image-text pairs auto-collected via SELMA shows comparable performance to fine-tuning with ground truth data. Lastly, we show that fine-tuning with images from a weaker T2I model can help improve the generation quality of a stronger T2I model, suggesting promising weak-to-strong generalization in T2I models. We provide code in the supplementary materials.
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Among the most important properties of algorithms investigated in computer science are soundness, completeness, and complexity. These properties, however, are rarely analyzed for the vast collection of recently proposed methods for planning with large language models. In this work, we alleviate this gap. We analyse these properties of using LLMs for planning and highlight that recent trends abandon both soundness and completeness for the sake of inefficiency. We propose a significantly more efficient approach that can, at the same time, maintain both soundness and completeness. We exemplify on four representative search problems, comparing to the LLM-based solutions from the literature that attempt to solve these problems. We show that by using LLMs to produce the code for the search components we can solve the entire datasets with 100% accuracy with only a few calls to the LLM. In contrast, the compared approaches require hundreds of thousands of calls and achieve significantly lower accuracy. We argue for a responsible use of compute resources; urging research community to investigate sound and complete LLM-based approaches that uphold efficiency.
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The well-known $\textit{empirical risk minimization}$ (ERM) principle is the basis of many widely used machine learning algorithms, and plays an essential role in the classical PAC theory. A common description of a learning algorithm's performance is its so-called “learning curve”, that is, the decay of the expected error as a function of the input sample size. As the PAC model fails to explain the behavior of learning curves, recent research has explored an alternative universal learning model and has ultimately revealed a distinction between optimal universal and uniform learning rates (Bousquet et al., 2021). However, a basic understanding of such differences with a particular focus on the ERM principle has yet to be developed. In this paper, we consider the problem of universal learning by ERM in the realizable case and study the possible universal rates. Our main result is a fundamental $\textit{tetrachotomy}$: there are only four possible universal learning rates by ERM, namely, the learning curves of any concept class learnable by ERM decay either at $e^{-n}$, $1/n$, $\log{(n)}/n$, or arbitrarily slow rates. Moreover, we provide a complete characterization of which concept classes fall into each of these categories, via new complexity structures. We also develop new combinatorial dimensions which supply sharp asymptotically-valid constant factors for these rates, whenever possible.
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Causal interactions among a group of variables are often modeled by a single causal graph. In some domains, however, these interactions are best described by multiple co-existing causal graphs, e.g., in dynamical systems or genomics. This paper addresses the hitherto unknown role of interventions in learning causal interactions among variables governed by a mixture of causal systems, each modeled by one directed acyclic graph (DAG). Causal discovery from mixtures is fundamentally more challenging than single-DAG causal discovery. Two major difficulties stem from (i) an inherent uncertainty about the skeletons of the component DAGs that constitute the mixture and (ii) possibly cyclic relationships across these component DAGs. This paper addresses these challenges and aims to identify edges that exist in at least one component DAG of the mixture, referred to as the *true* edges. First, it establishes matching necessary and sufficient conditions on the size of interventions required to identify the true edges. Next, guided by the necessity results, an adaptive algorithm is designed that learns all true edges using ${\cal O}(n^2)$ interventions, where $n$ is the number of nodes. Remarkably, the size of the interventions is optimal if the underlying mixture model does not contain cycles across its components. More generally, the gap between the intervention size used by the algorithm and the optimal size is quantified. It is shown to be bounded by the *cyclic complexity number* of the mixture model, defined as the size of the minimal intervention that can break the cycles in the mixture, which is upper bounded by the number of cycles among the ancestors of a node.
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Spatial Message Passing Graph Neural Networks (MPGNNs) are widely used for learning on graph-structured data. However, key limitations of *ℓ*-step MPGNNs are that their "receptive field" is typically limited to the *ℓ*-hop neighborhood of a node and that information exchange between distant nodes is limited by over-squashing. Motivated by these limitations, we propose *Spatio-Spectral Graph Neural Networks (S²GNNs)* – a new modeling paradigm for Graph Neural Networks (GNNs) that synergistically combines spatially and spectrally parametrized graph filters. Parameterizing filters partially in the frequency domain enables global yet efficient information propagation. We show that S²GNNs vanquish over-squashing and yield strictly tighter approximation-theoretic error bounds than MPGNNs. Further, rethinking graph convolutions at a fundamental level unlocks new design spaces. For example, S²GNNs allow for free positional encodings that make them strictly more expressive than the 1-Weisfeiler-Leman (WL) test. Moreover, to obtain general-purpose S²GNNs, we propose spectrally parametrized filters for directed graphs. S²GNNs outperform spatial MPGNNs, graph transformers, and graph rewirings, e.g., on the peptide long-range benchmark tasks, and are competitive with state-of-the-art sequence modeling. On a 40 GB GPU, S²GNNs scale to millions of nodes.
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Data collection is often difficult in critical fields such as medicine, physics, and chemistry, yielding typically only small tabular datasets. However, classification methods tend to struggle with these small datasets, leading to poor predictive performance. Increasing the training set with additional synthetic data, similar to data augmentation in images, is commonly believed to improve downstream tabular classification performance. However, current tabular generative methods that learn either the joint distribution $ p(\mathbf{x}, y) $ or the class-conditional distribution $ p(\mathbf{x} \mid y) $ often overfit on small datasets, resulting in poor-quality synthetic data, usually worsening classification performance compared to using real data alone. To solve these challenges, we introduce TabEBM, a novel class-conditional generative method using Energy-Based Models (EBMs). Unlike existing tabular methods that use a shared model to approximate all class-conditional densities, our key innovation is to create distinct EBM generative models for each class, each modelling its class-specific data distribution individually. This approach creates robust energy landscapes, even in ambiguous class distributions. Our experiments show that TabEBM generates synthetic data with higher quality and better statistical fidelity than existing methods. When used for data augmentation, our synthetic data consistently leads to improved classification performance across diverse datasets of various sizes, especially small ones. Code is available at https://github.com/andreimargeloiu/TabEBM.
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Complex visual reasoning and question answering (VQA) is a challenging task that requires compositional multi-step processing and higher-level reasoning capabilities beyond the immediate recognition and localization of objects and events. Here, we introduce a fully neural Iterative and Parallel Reasoning Mechanism (IPRM) that combines two distinct forms of computation -- iterative and parallel -- to better address complex VQA scenarios. Specifically, IPRM's "iterative" computation facilitates compositional step-by-step reasoning for scenarios wherein individual operations need to be computed, stored, and recalled dynamically (e.g. when computing the query “determine the color of pen to the left of the child in red t-shirt sitting at the white table”). Meanwhile, its "parallel'' computation allows for the simultaneous exploration of different reasoning paths and benefits more robust and efficient execution of operations that are mutually independent (e.g. when counting individual colors for the query: "determine the maximum occurring color amongst all t-shirts'"). We design IPRM as a lightweight and fully-differentiable neural module that can be conveniently applied to both transformer and non-transformer vision-language backbones. It notably outperforms prior task-specific methods and transformer-based attention modules across various image and video VQA benchmarks testing distinct complex reasoning capabilities such as compositional spatiotemporal reasoning (AGQA), situational reasoning (STAR), multi-hop reasoning generalization (CLEVR-Humans) and causal event linking (CLEVRER-Humans). Further, IPRM's internal computations can be visualized across reasoning steps, aiding interpretability and diagnosis of its errors.
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Autonomous systems often encounter environments and scenarios beyond the scope of their training data, which underscores a critical challenge: the need to generalize and adapt to unseen scenarios in real time. This challenge necessitates new mathematical and algorithmic tools that enable adaptation and zero-shot transfer. To this end, we leverage the theory of function encoders, which enables zero-shot transfer by combining the flexibility of neural networks with the mathematical principles of Hilbert spaces. Using this theory, we first present a method for learning a space of dynamics spanned by a set of neural ODE basis functions. After training, the proposed approach can rapidly identify dynamics in the learned space using an efficient inner product calculation. Critically, this calculation requires no gradient calculations or retraining during the online phase. This method enables zero-shot transfer for autonomous systems at runtime and opens the door for a new class of adaptable control algorithms. We demonstrate state-of-the-art system modeling accuracy for two MuJoCo robot environments and show that the learned models can be used for more efficient MPC control of a quadrotor.
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Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful inductive bias for describing the flow of information among the vertices. Often, more than one data modality is available. This work considers a setting in which several graphs have the same vertex set and a common vertex-level learning task. This generalizes standard GNN models to GNNs with several graph operators that do not commute. We may call this model graph-tuple neural networks (GtNN). In this work, we develop the mathematical theory to address the stability and transferability of GtNNs using properties of non-commuting non-expansive operators. We develop a limit theory of graphon-tuple neural networks and use it to prove a universal transferability theorem that guarantees that all graph-tuple neural networks are transferable on convergent graph-tuple sequences. In particular, there is no non-transferable energy under the convergence we consider here. Our theoretical results extend well-known transferability theorems for GNNs to the case of several simultaneous graphs (GtNNs) and provide a strict improvement on what is currently known even in the GNN case. We illustrate our theoretical results with simple experiments on synthetic and real-world data. To this end, we derive a training procedure that provably enforces the stability of the resulting model.
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Techniques that learn improved representations via offline data or self-supervised objectives have shown impressive results in traditional reinforcement learning. Nevertheless, it is unclear how improved representation learning can benefit reinforcement learning from human feedback on language models. In this work, we propose training reward models (RMs) in a contrastive, $\textit{goal-conditioned}$ fashion by increasing the representation similarity of future states along sampled preferred trajectories and decreasing the similarity along randomly sampled dispreferred trajectories. This objective significantly improves reward model performance by up to 0.09 AUROC across challenging benchmarks, such as MATH and GSM8k. These findings extend to general alignment as well -- on the Helpful-Harmless dataset, we observe 2.3\% increase in accuracy. Beyond improving reward model performance, we show this way of training RM representations enables improved steerability because it allows us to evaluate the likelihood of an action achieving a particular goal-state (e.g. whether a solution is correct or helpful). Leveraging this insight, we find that we can filter up to 55\% of generated tokens during majority voting by discarding trajectories likely to end up in an "incorrect" state, which leads to significant cost savings. We additionally find that these representations can perform fine-grained control by conditioning on desired future goal-states. For example, we show that steering a Llama 3 model towards helpful generations with our approach improves helpfulness by $9.6$\% over a supervised-fine-tuning trained baseline. Similarly, steering the model towards complex generations improves complexity by $21.6$\% over the baseline. Overall, we find that training RMs in this contrastive, goal-conditioned fashion significantly improves performance and enables model steerability.
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We propose a novel algorithm for offline reinforcement learning using optimal transport. Typically, in offline reinforcement learning, the data is provided by various experts and some of them can be sub-optimal. To extract an efficient policy, it is necessary to \emph{stitch} the best behaviors from the dataset. To address this problem, we rethink offline reinforcement learning as an optimal transportation problem. And based on this, we present an algorithm that aims to find a policy that maps states to a \emph{partial} distribution of the best expert actions for each given state. We evaluate the performance of our algorithm on continuous control problems from the D4RL suite and demonstrate improvements over existing methods.
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The study of cells and their responses to genetic or chemical perturbations promises to accelerate the discovery of therapeutics targets. However, designing adequate and insightful models for such data is difficult because the response of a cell to perturbations essentially depends on contextual covariates (e.g., genetic background or type of the cell). There is therefore a need for models that can identify interactions between drugs and contextual covariates. This is crucial for discovering therapeutics targets, as such interactions may reveal drugs that affect certain cell types but not others. We tackle this problem with a novel Factorized Causal Representation (FCR) learning method, an identifiable deep generative model that reveals causal structure in single-cell perturbation data from several cell lines. FCR learns multiple cellular representations that are disentangled, comprised of covariate-specific (Z_x), treatment-specific (Z_t) and interaction-specific (Z_tx) representations. Based on recent advances of non-linear ICA theory, we prove the component-wise identifiability of Z_tx and block-wise identifiability of Z_t and Z_x. Then, we present our implementation of FCR, and empirically demonstrate that FCR outperforms state-of-the-art baselines in various tasks across four single-cell datasets.
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Diffusion models have become the most popular approach to deep generative modeling of images, largely due to their empirical performance and reliability. From a theoretical standpoint, a number of recent works [CCL+23, CCSW22, BBDD24] have studied the iteration complexity of sampling, assuming access to an accurate diffusion model. In this work, we focus on understanding the *sample complexity* of training such a model; how many samples are needed to learn an accurate diffusion model using a sufficiently expressive neural network? Prior work [BMR20] showed bounds polynomial in the dimension, desired Total Variation error, and Wasserstein error. We show an *exponential improvement* in the dependence on Wasserstein error and depth, along with improved dependencies on other relevant parameters.
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We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical solvers. Most existing forward or inverse PDE approaches perform poorly when the observations on the data or the underlying coefficients are incomplete, which is a common assumption for real-world measurements. In this work, we propose DiffusionPDE that can simultaneously fill in the missing information and solve a PDE by modeling the joint distribution of the solution and coefficient spaces. We show that the learned generative priors lead to a versatile framework for accurately solving a wide range of PDEs under partial observation, significantly outperforming the state-of-the-art methods for both forward and inverse directions.
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Which transformer scaling regimes are able to perfectly solve different classes of algorithmic problems? While tremendous empirical advances have been attained by transformer-based neural networks, a theoretical understanding of their algorithmic reasoning capabilities in realistic parameter regimes is lacking. We investigate this question in terms of the network’s depth, width, and number of extra tokens for algorithm execution. Our novel representational hierarchy separates 9 algorithmic reasoning problems into classes solvable by transformers in different realistic parameter scaling regimes. We prove that logarithmic depth is necessary and sufficient for tasks like graph connectivity, while single-layer transformers with small embedding dimensions can solve contextual retrieval tasks. We also support our theoretical analysis with ample empirical evidence using the GraphQA benchmark. These results show that transformers excel at many graph reasoning tasks, even outperforming specialized graph neural networks.
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Estimating mutual information accurately is pivotal across diverse applications, from machine learning to communications and biology, enabling us to gain insights into the inner mechanisms of complex systems. Yet, dealing with high-dimensional data presents a formidable challenge, due to its size and the presence of intricate relationships. Recently proposed neural methods employing variational lower bounds on the mutual information have gained prominence. However, these approaches suffer from either high bias or high variance, as the sample size and the structure of the loss function directly influence the training process. In this paper, we propose a novel class of discriminative mutual information estimators based on the variational representation of the $f$-divergence. We investigate the impact of the permutation function used to obtain the marginal training samples and present a novel architectural solution based on derangements. The proposed estimator is flexible since it exhibits an excellent bias/variance trade-off. The comparison with state-of-the-art neural estimators, through extensive experimentation within established reference scenarios, shows that our approach offers higher accuracy and lower complexity.
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Text embeddings are essential for tasks such as document retrieval, clustering, and semantic similarity assessment. In this paper, we study how to contrastively train text embedding models in a compute-optimal fashion, given a suite of pretrained decoder-only language models. Our innovation is an algorithm that produces optimal configurations of model sizes, data quantities, and fine-tuning methods for text-embedding models at different computational budget levels. The resulting recipe, which we obtain through extensive experiments, can be used by practitioners to make informed design choices for their embedding models. Specifically, our findings suggest that full fine-tuning and Low-Rank Adaptation fine-tuning produce optimal models at lower and higher computational budgets respectively.
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Reinforcement Learning from Human Feedback (RLHF)has been crucial to the recent success of Large Language Models (LLMs), however it is often a complex and brittle process. In the classical RLHF framework, a reward model is first trained to represent human preferences, which is in turn used by an online reinforcement learning (RL) algorithm to optimized the LLM. A prominent issue with such methods is reward over-optimization or reward hacking, where the performance as measured by the learned proxy reward model increases, but the true model quality plateaus or even deteriorates. Direct Alignment Algorithms (DDAs), such as Direct Preference Optimization (DPO) have emerged as alternatives to the classical RLHF pipeline. However, despite not training a separate proxy reward model or using RL, they still commonly deteriorate from over-optimization. While the so-called reward hacking phenomenon is not well-defined for DAAs, we still uncover similar trends: at higher KL-budgets, DAA algorithms exhibit similar degradation patters to their classic RLHF counterparts. In particular, we find that DAA methods deteriorate not only across a wide range of KL-budgets, but also often before even a single epoch of the dataset is completed. Through extensive empirical experimentation this work formulates the reward over-optimization or hacking problem for DAAs and explores its consequences across objectives, training regimes, and model scales.
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In-Context Learning (ICL) empowers Large Language Models (LLMs) to tackle various tasks by providing input-output examples as additional inputs, referred to as demonstrations. Nevertheless, the performance of ICL could be easily impacted by the quality of selected demonstrations. Existing efforts generally learn a retriever model to score each demonstration for selecting suitable demonstrations, however, the effect is suboptimal due to the large search space and the noise from unhelpful demonstrations. In this study, we introduce MoD, which partitions the demonstration pool into groups, each governed by an expert to reduce search space. We further design an expert-wise training strategy to alleviate the impact of unhelpful demonstrations when optimizing the retriever model. During inference, experts collaboratively retrieve demonstrations for the input query to enhance the ICL performance. We validate MoD via experiments across a range of NLP datasets and tasks, demonstrating its state-of-the-art performance and shedding new light on the future design of retrieval methods for ICL.
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As the adoption of large language models increases and the need for per-user or per-task model customization grows, the parameter-efficient fine-tuning (PEFT) methods, such as low-rank adaptation (LoRA) and its variants, incur substantial storage and transmission costs. To further reduce stored parameters, we introduce a "divide-and-share" paradigm that breaks the barriers of low-rank decomposition across matrix dimensions, modules, and layers by sharing parameters globally via a vector bank. As an instantiation of the paradigm to LoRA, our proposed VB-LoRA composites all the low-rank matrices of LoRA from a shared vector bank with a differentiable top-$k$ admixture module. VB-LoRA achieves extreme parameter efficiency while maintaining comparable or better performance compared to state-of-the-art PEFT methods. Extensive experiments demonstrate the effectiveness of VB-LoRA on natural language understanding, natural language generation, instruction tuning, and mathematical reasoning tasks. When fine-tuning the Llama2-13B model, VB-LoRA only uses 0.4% of LoRA's stored parameters, yet achieves superior results. Our source code is available at https://github.com/leo-yangli/VB-LoRA. This method has been merged into the Hugging Face PEFT package.
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Many of the recent advances in computer vision and language models can be attributed to the success of transfer learning via the pre-training of large foundation models. However, a theoretical framework which explains this empirical success is incomplete and remains an active area of research. Flatness of the loss surface and neural collapse have recently emerged as useful pre-training metrics which shed light on the implicit biases underlying pre-training. In this paper, we explore the geometric complexity of a model's learned representations as a fundamental mechanism that relates these two concepts. We show through experiments and theory that mechanisms which affect the geometric complexity of the pre-trained network also influence the neural collapse. Furthermore, we show how this effect of the geometric complexity generalizes to the neural collapse of new classes as well, thus encouraging better performance on downstream tasks, particularly in the few-shot setting.
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Fine-tuning is arguably the most straightforward way to tailor a pre-trained model (e.g., a foundation model) to downstream applications, but it also comes with the risk of losing valuable knowledge the model had learned in pre-training. For example, fine-tuning a pre-trained classifier capable of recognizing a large number of classes to master a subset of classes at hand is shown to drastically degrade the model's accuracy in the other classes it had previously learned. As such, it is hard to further use the fine-tuned model when it encounters classes beyond the fine-tuning data. In this paper, we systematically dissect the issue, aiming to answer the fundamental question, "What has been damaged in the fine-tuned model?" To our surprise, we find that the fine-tuned model neither forgets the relationship among the other classes nor degrades the features to recognize these classes. Instead, the fine-tuned model often produces more discriminative features for these other classes, even if they were missing during fine-tuning! What really hurts the accuracy is the discrepant logit scales between the fine-tuning classes and the other classes, implying that a simple post-processing calibration would bring back the pre-trained model's capability and at the same time unveil the feature improvement over all classes. We conduct an extensive empirical study to demonstrate the robustness of our findings and provide preliminary explanations underlying them, suggesting new directions for future theoretical analysis.
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Decision Transformer (DT), as one of the representative Reinforcement Learning via Supervised Learning (RvS) methods, has achieved strong performance in offline learning tasks by leveraging the powerful Transformer architecture for sequential decision-making. However, in adversarial environments, these methods can be non-robust, since the return is dependent on the strategies of both the decision-maker and adversary. Training a probabilistic model conditioned on observed return to predict action can fail to generalize, as the trajectories that achieve a return in the dataset might have done so due to a suboptimal behavior adversary. To address this, we propose a worst-case-aware RvS algorithm, the Adversarially Robust Decision Transformer (ARDT), which learns and conditions the policy on in-sample minimax returns-to-go. ARDT aligns the target return with the worst-case return learned through minimax expectile regression, thereby enhancing robustness against powerful test-time adversaries. In experiments conducted on sequential games with full data coverage, ARDT can generate a maximin (Nash Equilibrium) strategy, the solution with the largest adversarial robustness. In large-scale sequential games and continuous adversarial RL environments with partial data coverage, ARDT demonstrates significantly superior robustness to powerful test-time adversaries and attains higher worst-case returns compared to contemporary DT methods.
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Recommender systems serve the dual purpose of presenting relevant content to users and helping content creators reach their target audience. The dual nature of these systems naturally influences both users and creators: users' preferences are affected by the items they are recommended, while creators may be incentivized to alter their content to attract more users. We define a model, called user-creator feature dynamics, to capture the dual influence of recommender systems. We prove that a recommender system with dual influence is guaranteed to polarize, causing diversity loss in the system. We then investigate, both theoretically and empirically, approaches for mitigating polarization and promoting diversity in recommender systems. Unexpectedly, we find that common diversity-promoting approaches do not work in the presence of dual influence, while relevancy-optimizing methods like top-$k$ truncation can prevent polarization and improve diversity of the system.
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Despite advances using low-rank adapters and quantization, pretraining of large models on consumer hardware has not been possible without model sharding, offloading during training, or per-layer gradient updates. To address these limitations, we propose Low-Rank Adapters for Quantized Training (LoQT), a method for efficiently training quantized models. LoQT uses gradient-based tensor factorization to initialize low-rank trainable weight matrices that are periodically merged into quantized full-rank weight matrices. Our approach is suitable for both pretraining and fine-tuning models. We demonstrate this for language modeling and downstream task adaptation, finding that LoQT enables efficient training of models up to 7B parameters on a 24GB GPU. We also demonstrate the feasibility of training a 13B model using per-layer gradient updates on the same hardware.
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In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) using one formulation. We first formulate prediction tasks including regression and classification into a generic (conditional) generation framework, which enables diffusion models to perform deterministic tasks with provable guarantees. We then propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder and decoder, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Leveraging LGD and the ``all tasks as generation'' formulation, our framework is capable of solving graph tasks of various levels and types. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across a wide range of generation and regression tasks.
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Self-attention is the key mechanism of transformers, which are the essential building blocks of modern foundation models. Recent studies have shown that pure self-attention suffers from an increasing degree of rank collapse as depth increases, limiting model expressivity and further utilization of model depth. The existing literature on rank collapse, however, has mostly overlooked other critical components in transformers that may alleviate the rank collapse issue. In this paper, we provide a general analysis of rank collapse under self-attention, taking into account the effects of attention masks and layer normalization (LayerNorm). In particular, we find that although pure masked attention still suffers from exponential collapse to a rank one subspace, sparse or local masked attention can provably slow down the collapse rate. In the case of self-attention with LayerNorm, we first show that for certain classes of value matrices, collapse to a rank one subspace still happens exponentially. However, through construction of nontrivial counterexamples, we then establish that with proper choice of value matrices, a general class of sequences may not converge to a rank one subspace, and the self-attention dynamics with LayerNorm can simultaneously possess a rich set of equilibria with any possible rank between one and full. Our result refutes the previous hypothesis that LayerNorm plays no role in the rank collapse of self-attention and suggests that self-attention with LayerNorm constitutes a much more expressive, versatile nonlinear dynamical system than what was originally thought.
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Large Language Models (LLMs) struggle with reliably generating highly structured outputs, such as program code, mathematical formulas, or well-formed markup. Constrained decoding approaches mitigate this problem by greedily restricting what tokens an LLM can output at each step to guarantee that the output matches a given constraint. Specifically, in grammar-constrained decoding (GCD), the LLM's output must follow a given grammar. In this paper we demonstrate that GCD techniques (and in general constrained decoding techniques) can distort the LLM's distribution, leading to outputs that are grammatical but appear with likelihoods that are not proportional to the ones given by the LLM, and so ultimately are low-quality. We call the problem of aligning sampling with a grammar constraint, grammar-aligned decoding (GAD), and propose adaptive sampling with approximate expected futures (ASAp), a decoding algorithm that guarantees the output to be grammatical while provably producing outputs that match the conditional probability of the LLM's distribution conditioned on the given grammar constraint. Our algorithm uses prior sample outputs to soundly overapproximate the future grammaticality of different output prefixes. Our evaluation on code generation and structured NLP tasks shows how ASAp often produces outputs with higher likelihood (according to the LLM's distribution) than existing GCD techniques, while still enforcing the desired grammatical constraints.
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Despite the advancements in learning governing differential equations from observations of dynamical systems, data-driven methods are often unaware of fundamental physical laws, such as frame invariance. As a result, these algorithms may search an unnecessarily large space and discover less accurate or overly complex equations. In this paper, we propose to leverage symmetry in automated equation discovery to compress the equation search space and improve the accuracy and simplicity of the learned equations. Specifically, we derive equivariance constraints from the time-independent symmetries of ODEs. Depending on the types of symmetries, we develop a pipeline for incorporating symmetry constraints into various equation discovery algorithms, including sparse regression and genetic programming. In experiments across diverse dynamical systems, our approach demonstrates better robustness against noise and recovers governing equations with significantly higher probability than baselines without symmetry.
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We develop a method to generate prediction sets with a guaranteed coverage rate that is robust to corruptions in the training data, such as missing or noisy variables. Our approach builds on conformal prediction, a powerful framework to construct prediction sets that are valid under the i.i.d assumption. Importantly, naively applying conformal prediction does not provide reliable predictions in this setting, due to the distribution shift induced by the corruptions. To account for the distribution shift, we assume access to privileged information (PI). The PI is formulated as additional features that explain the distribution shift, however, they are only available during training and absent at test time. We approach this problem by introducing a novel generalization of weighted conformal prediction and support our method with theoretical coverage guarantees. Empirical experiments on both real and synthetic datasets indicate that our approach achieves a valid coverage rate and constructs more informative predictions compared to existing methods, which are not supported by theoretical guarantees.
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Molecular learning is pivotal in many real-world applications, such as drug discovery. Supervised learning requires heavy human annotation, which is particularly challenging for molecular data, e.g., the commonly used density functional theory (DFT) is highly computationally expensive. Active learning (AL) automatically queries labels for most informative samples, thereby remarkably alleviating the annotation hurdle. In this paper, we present a principled AL paradigm for molecular learning, where we treat molecules as 3D molecular graphs. Specifically, we propose a new diversity sampling method to eliminate mutual redundancy built on distributions of 3D geometries. We first propose a set of new 3D graph isometries for 3D graph isomorphism analysis. Our method is provably at least as expressive as the Geometric Weisfeiler-Lehman (GWL) test. The moments of the distributions of the associated geometries are then extracted for efficient diversity computing. To ensure our AL paradigm selects samples with maximal uncertainties, we carefully design a Bayesian geometric graph neural network to compute uncertainties specifically for 3D molecular graphs. We pose active sampling as a quadratic programming (QP) problem using the proposed components. Experimental results demonstrate the effectiveness of our AL paradigm, as well as the proposed diversity and uncertainty methods.
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Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of subgraphs. While previous approaches attempted to generate smaller subsets of subgraphs through random or learnable sampling, these methods often yielded suboptimal selections or were limited to small subset sizes, ultimately compromising their effectiveness. This paper introduces a new Subgraph GNN framework to address these issues. Our approach diverges from most previous methods by associating subgraphs with node clusters rather than with individual nodes. We show that the resulting collection of subgraphs can be viewed as the product of coarsened and original graphs, unveiling a new connectivity structure on which we perform generalized message passing. Crucially, controlling the coarsening function enables meaningful selection of any number of subgraphs. In addition, we reveal novel permutation symmetries in the resulting node feature tensor, characterize associated linear equivariant layers, and integrate them into our Subgraph GNN. We also introduce novel node marking strategies and provide a theoretical analysis of their expressive power and other key aspects of our approach. Extensive experiments on multiple graph learning benchmarks demonstrate that our method is significantly more flexible than previous approaches, as it can seamlessly handle any number of subgraphs, while consistently outperforming baseline approaches. Our code is available at https://github.com/BarSGuy/Efficient-Subgraph-GNNs.
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Reinforcement learning algorithms typically rely on the assumption that the environment dynamics and value function can be expressed in terms of a Markovian state representation. However, when state information is only partially observable, how can an agent learn such a state representation, and how can it detect when it has found one? We introduce a metric that can accomplish both objectives, without requiring access to---or knowledge of---an underlying, unobservable state space. Our metric, the λ-discrepancy, is the difference between two distinct temporal difference (TD) value estimates, each computed using TD(λ) with a different value of λ. Since TD(λ=0) makes an implicit Markov assumption and TD(λ=1) does not, a discrepancy between these estimates is a potential indicator of a non-Markovian state representation. Indeed, we prove that the λ-discrepancy is exactly zero for all Markov decision processes and almost always non-zero for a broad class of partially observable environments. We also demonstrate empirically that, once detected, minimizing the λ-discrepancy can help with learning a memory function to mitigate the corresponding partial observability. We then train a reinforcement learning agent that simultaneously constructs two recurrent value networks with different λ parameters and minimizes the difference between them as an auxiliary loss. The approach scales to challenging partially observable domains, where the resulting agent frequently performs significantly better (and never performs worse) than a baseline recurrent agent with only a single value network.
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Large language models (LLMs) have demonstrated impressive capabilities in various tasks using the in-context learning (ICL) paradigm. However, their effectiveness is often compromised by inherent bias, leading to prompt brittleness—sensitivity to design settings such as example selection, order, and prompt formatting. Previous studies have addressed LLM bias through external adjustment of model outputs, but the internal mechanisms that lead to such bias remain unexplored. Our work delves into these mechanisms, particularly investigating how feedforward neural networks (FFNs) and attention heads result in the bias of LLMs. By Interpreting the contribution of individual FFN vectors and attention heads, we identify the biased LLM components that skew LLMs' prediction toward specific labels. To mitigate these biases, we introduce UniBias, an inference-only method that effectively identifies and eliminates biased FFN vectors and attention heads. Extensive experiments across 12 NLP datasets demonstrate that UniBias significantly enhances ICL performance and alleviates prompt brittleness of LLMs.
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Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master
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Federated learning (FL) has rapidly evolved as a promising paradigm that enables collaborative model training across distributed participants without exchanging their local data. Despite its broad applications in fields such as computer vision, graph learning, and natural language processing, the development of a data projection model that can be effectively used to visualize data in the context of FL is crucial yet remains heavily under-explored. Neighbor embedding (NE) is an essential technique for visualizing complex high-dimensional data, but collaboratively learning a joint NE model is difficult. The key challenge lies in the objective function, as effective visualization algorithms like NE require computing loss functions among pairs of data. In this paper, we introduce \textsc{FedNE}, a novel approach that integrates the \textsc{FedAvg} framework with the contrastive NE technique, without any requirements of shareable data. To address the lack of inter-client repulsion which is crucial for the alignment in the global embedding space, we develop a surrogate loss function that each client learns and shares with each other. Additionally, we propose a data-mixing strategy to augment the local data, aiming to relax the problems of invisible neighbors and false neighbors constructed by the local $k$NN graphs. We conduct comprehensive experiments on both synthetic and real-world datasets. The results demonstrate that our \textsc{FedNE} can effectively preserve the neighborhood data structures and enhance the alignment in the global embedding space compared to several baseline methods.
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Model editing is a growing area of research that is particularly valuable in contexts where modifying key model components, like neurons or filters, can significantly impact the model’s performance. The key challenge lies in identifying important components useful to the model’s predictions. We apply model editing to address two active areas of research, Structured Pruning, and Selective Class Forgetting. In this work, we adopt a distributional approach to the problem of identifying important components, leveraging the recently proposed discriminative filters hypothesis, which states that well-trained (convolutional) models possess discriminative filters that are essential to prediction. To do so, we define discriminative ability in terms of the Bayes error rate associated with the feature distributions, which is equivalent to computing the Total Variation (TV) distance between the distributions. However, computing the TV distance is intractable, motivating us to derive novel witness function-based lower bounds on the TV distance that require no assumptions on the underlying distributions; using this bound generalizes prior work such as Murti et al. [39] that relied on unrealistic Gaussianity assumptions on the feature distributions. With these bounds, we are able to discover critical subnetworks responsible for classwise predictions, and derive DISCEDIT-SP and DISCEDIT-U , algorithms for structured pruning requiring no access to the training data and loss function, and selective forgetting respectively. We apply DISCEDIT-U to selective class forgetting on models trained on CIFAR10 and CIFAR100, and we show that on average, we can reduce accuracy on a single class by over 80% with a minimal reduction in test accuracy on the remaining classes. Similarly, on Structured pruning problems, we obtain 40.8% sparsity on ResNet50 on Imagenet, with only a 2.6% drop in accuracy with minimal fine-tuning.
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Each voxel in a diffusion MRI (dMRI) image contains a spherical signal corresponding to the direction and strength of water diffusion in the brain. This paper advances the analysis of such spatio-spherical data by developing convolutional network layers that are equivariant to the $\mathbf{E(3) \times SO(3)}$ group and account for the physical symmetries of dMRI including rotations, translations, and reflections of space alongside voxel-wise rotations. Further, neuronal fibers are typically antipodally symmetric, a fact we leverage to construct highly efficient spatio-*hemispherical* graph convolutions to accelerate the analysis of high-dimensional dMRI data. In the context of sparse spherical fiber deconvolution to recover white matter microstructure, our proposed equivariant network layers yield substantial performance and efficiency gains, leading to better and more practical resolution of crossing neuronal fibers and fiber tractography. These gains are experimentally consistent across both simulation and in vivo human datasets.
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Expanding on recent work on scheduling with predicted job sizes, we consider the effect of the cost of predictions in queueing systems, removing the assumption in prior research that predictions are external to the system’s resources and/or cost-free. Additionally, we introduce a novel approach to utilizing predictions, SkipPredict, designed to address their inherent cost. Rather than uniformly applying predictions to all jobs, we propose a tailored approach that categorizes jobs to improve the effectiveness of prediction on performance. To achieve this, we employ one-bit “cheap predictions” to classify jobs as either short or long. SkipPredict prioritizes predicted short jobs over long jobs, and for the long jobs, SkipPredict applies a second round of more detailed “expensive predictions” to approximate Shortest Remaining Processing Time for these jobs. Importantly, our analyses take into account the cost of prediction. We derive closed-form formulas that calculate the mean response time of jobs with size predictions accounting for the prediction cost. We examine the effect of this cost for two distinct models in real-world and synthetic datasets. In the external cost model, predictions are generated by external method without impacting job service times but incur a cost. In the server time cost model, predictions themselves require server processing time and are scheduled on the same server as the jobs.
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Neural Algorithmic Reasoning (NAR) research has demonstrated that graph neural networks (GNNs) could learn to execute classical algorithms. However, most previous approaches have always used a recurrent architecture, where each iteration of the GNN matches an iteration of the algorithm. In this paper we study neurally solving algorithms from a different perspective: since the algorithm’s solution is often an equilibrium, it is possible to find the solution directly by solving an equilibrium equation. Our approach requires no information on the ground-truth number of steps of the algorithm, both during train and test time. Furthermore, the proposed method improves the performance of GNNs on executing algorithms and is a step towards speeding up existing NAR models. Our empirical evidence, leveraging algorithms from the CLRS-30 benchmark, validates that one can train a network to solve algorithmic problems by directly finding the equilibrium. We discuss the practical implementation of such models and propose regularisations to improve the performance of these equilibrium reasoners.
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Toxicity classification in textual content remains a significant problem. Data with labels from a single annotator fall short of capturing the diversity of human perspectives. Therefore, there is a growing need to incorporate crowdsourced annotations for training an effective toxicity classifier. Additionally, the standard approach to training a classifier using empirical risk minimization (ERM) may fail to address the potential shifts between the training set and testing set due to exploiting spurious correlations. This work introduces a novel bi-level optimization framework that integrates crowdsourced annotations with the soft-labeling technique and optimizes the soft-label weights by Group Distributionally Robust Optimization (GroupDRO) to enhance the robustness against out-of-distribution (OOD) risk. We theoretically prove the convergence of our bi-level optimization algorithm. Experimental results demonstrate that our approach outperforms existing baseline methods in terms of both average and worst-group accuracy, confirming its effectiveness in leveraging crowdsourced annotations to achieve more effective and robust toxicity classification.
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Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion from an optimization perspective. We formulate a series of constrained optimizations throughout the inference process of a diffusion model. In each optimization, we allow the sample to take multiple steps along the gradient of the proxy constraint function until we can no longer trust the proxy, according to the variance at each diffusion level. Additionally, we estimate the state manifold of diffusion model to allow for early termination when the sample starts to wander away from the state manifold at each diffusion step. Trust sampling effectively balances between following the unconditional diffusion model and adhering to the loss guidance, enabling more flexible and accurate constrained generation. We demonstrate the efficacy of our method through extensive experiments on complex tasks, and in drastically different domains of images and 3D motion generation, showing significant improvements over existing methods in terms of generation quality. Our implementation is available at https://github.com/will-s-h/trust-sampling.
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Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields and structural bottlenecks hinder information flow in the graph. While graph transformers hold promise in addressing these issues, their scalability is limited due to quadratic complexity regarding the number of nodes, rendering them impractical for larger graphs. Here, we propose implicitly rewired message-passing neural networks (IPR-MPNNs), a novel approach that integrates implicit probabilistic graph rewiring into MPNNs. By introducing a small number of virtual nodes, i.e., adding additional nodes to a given graph and connecting them to existing nodes, in a differentiable, end-to-end manner, IPR-MPNNs enable long-distance message propagation, circumventing quadratic complexity. Theoretically, we demonstrate that IPR-MPNNs surpass the expressiveness of traditional MPNNs. Empirically, we validate our approach by showcasing its ability to mitigate under-reaching and over-squashing effects, achieving state-of-the-art performance across multiple graph datasets. Notably, IPR-MPNNs outperform graph transformers while maintaining significantly faster computational efficiency.
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Unlike classical control theory, such as Linear Quadratic Control (LQC), real-world control problems are highly complex. These problems often involve adversarial perturbations, bandit feedback models, and non-quadratic, adversarially chosen cost functions. A fundamental yet unresolved question is whether optimal regret can be achieved for these general control problems. The standard approach to addressing this problem involves a reduction to bandit convex optimization with memory. In the bandit setting, constructing a gradient estimator with low variance is challenging due to the memory structure and non-quadratic loss functions. In this paper, we provide an affirmative answer to this question. Our main contribution is an algorithm that achieves an $\tilde{O}(\sqrt{T})$ optimal regret for bandit non-stochastic control with strongly-convex and smooth cost functions in the presence of adversarial perturbations, improving the previously known $\tilde{O}(T^{2/3})$ regret bound from \citep{cassel2020bandit}. Our algorithm overcomes the memory issue by reducing the problem to Bandit Convex Optimization (BCO) without memory and addresses general strongly-convex costs using recent advancements in BCO from \citep{suggala2024second}. Along the way, we develop an improved algorithm for BCO with memory, which may be of independent interest.
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Large transformer-based foundation models have been commonly used as pre-trained models that can be adapted to different challenging datasets and settings with state-of-the-art generalization performance. Parameter efficient fine-tuning ($\texttt{PEFT}$) provides promising generalization performance in adaptation while incurring minimum computational overhead. However, adaptation of these foundation models through $\texttt{PEFT}$ leads to accurate but severely underconfident models, especially in few-shot learning settings. Moreover, the adapted models lack accurate fine-grained uncertainty quantification capabilities limiting their broader applicability in critical domains. To fill out this critical gap, we develop a novel lightweight {Bayesian Parameter Efficient Fine-Tuning} (referred to as $\texttt{Bayesian-PEFT}$) framework for large transformer-based foundation models. The framework integrates state-of-the-art $\texttt{PEFT}$ techniques with two Bayesian components to address the under-confidence issue while ensuring reliable prediction under challenging few-shot settings. The first component performs base rate adjustment to strengthen the prior belief corresponding to the knowledge gained through pre-training, making the model more confident in its predictions; the second component builds an evidential ensemble that leverages belief regularization to ensure diversity among different ensemble components. Our thorough theoretical analysis justifies that the Bayesian components can ensure reliable and accurate few-shot adaptations with well-calibrated uncertainty quantification. Extensive experiments across diverse datasets, few-shot learning scenarios, and multiple $\texttt{PEFT}$ techniques demonstrate the outstanding prediction and calibration performance by $\texttt{Bayesian-PEFT}$.
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In this work we consider Code World Models, world models generated by a Large Language Model (LLM) in the form of Python code for model-based Reinforcement Learning (RL). Calling code instead of LLMs for planning has potential to be more precise, reliable, interpretable, and extremely efficient. However, writing appropriate Code World Models requires the ability to understand complex instructions, to generate exact code with non-trivial logic and to self-debug a long program with feedback from unit tests and environment trajectories. To address these challenges, we propose Generate, Improve and Fix with Monte Carlo Tree Search (GIF-MCTS), a new code generation strategy for LLMs. To test our approach in an offline RL setting, we introduce the Code World Models Benchmark (CWMB), a suite of program synthesis and planning tasks comprised of 18 diverse RL environments paired with corresponding textual descriptions and curated trajectories. GIF-MCTS surpasses all baselines on the CWMB and two other benchmarks, and we show that the Code World Models synthesized with it can be successfully used for planning, resulting in model-based RL agents with greatly improved sample efficiency and inference speed.
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The aim of this work is to learn models of population dynamics of physical systems that feature stochastic and mean-field effects and that depend on physics parameters. The learned models can act as surrogates of classical numerical models to efficiently predict the system behavior over the physics parameters. Building on the Benamou-Brenier formula from optimal transport and action matching, we use a variational problem to infer parameter- and time-dependent gradient fields that represent approximations of the population dynamics. The inferred gradient fields can then be used to rapidly generate sample trajectories that mimic the dynamics of the physical system on a population level over varying physics parameters. We show that combining Monte Carlo sampling with higher-order quadrature rules is critical for accurately estimating the training objective from sample data and for stabilizing the training process. We demonstrate on Vlasov-Poisson instabilities as well as on high-dimensional particle and chaotic systems that our approach accurately predicts population dynamics over a wide range of parameters and outperforms state-of-the-art diffusion-based and flow-based modeling that simply condition on time and physics parameters.
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To improve performance in contemporary deep learning, one is interested in scaling up the neural network in terms of both the number and the size of the layers. When ramping up the width of a single layer, graceful scaling of training has been linked to the need to normalize the weights and their updates in the "natural norm" particular to that layer. In this paper, we significantly generalize this idea by defining the modular norm, which is the natural norm on the full weight space of any neural network architecture. The modular norm is defined recursively in tandem with the network architecture itself. We show that the modular norm has several promising applications. On the practical side, the modular norm can be used to normalize the updates of any base optimizer so that the learning rate becomes transferable across width and depth. This means that the user does not need to compute optimizer-specific scale factors in order to scale training. On the theoretical side, we show that for any neural network built from "well-behaved" atomic modules, the gradient of the network is Lipschitz-continuous in the modular norm, with the Lipschitz constant admitting a simple recursive formula. This characterization opens the door to porting standard ideas in optimization theory over to deep learning. We have created a Python package called Modula that automatically normalizes weight updates in the modular norm of the architecture. Both the Modula package and code for our experiments are provided in the supplementary material.
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In recent years, the application of reinforcement learning (RL) involving interactions with individuals has seen significant growth. These interactions, influenced by individual-specific factors ranging from personal preferences to physiological differences, can causally affect state transitions, such as the health conditions in healthcare or learning progress in education. Consequently, different individuals may exhibit different state-transition processes. Understanding these individualized state-transition processes is crucial for optimizing individualized policies. In practice, however, identifying these state-transition processes is challenging, especially since individual-specific factors often remain latent. In this paper, we establish the identifiability of these latent factors and present a practical method that effectively learns these processes from observed state-action trajectories. Our experiments on various datasets show that our method can effectively identify the latent state-transition processes and help learn individualized RL policies.
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Continuous attractors offer a unique class of solutions for storing continuous-valued variables in recurrent system states for indefinitely long time intervals. Unfortunately, continuous attractors suffer from severe structural instability in general---they are destroyed by most infinitesimal changes of the dynamical law that defines them. This fragility limits their utility especially in biological systems as their recurrent dynamics are subject to constant perturbations. We observe that the bifurcations from continuous attractors in theoretical neuroscience models display various structurally stable forms. Although their asymptotic behaviors to maintain memory are categorically distinct, their finite-time behaviors are similar. We build on the persistent manifold theory to explain the commonalities between bifurcations from and approximations of continuous attractors. Fast-slow decomposition analysis uncovers the existence of a persistent slow manifold that survives the seemingly destructive bifurcation, relating the flow within the manifold to the size of the perturbation. Moreover, this allows the bounding of the memory error of these approximations of continuous attractors. Finally, we train recurrent neural networks on analog memory tasks to support the appearance of these systems as solutions and their generalization capabilities. Therefore, we conclude that continuous attractors are functionally robust and remain useful as a universal analogy for understanding analog memory.
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Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity reductions of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3- and 2-bit precision, respectively, and more than 80% memory and energy reductions over the original LLMs. Codes and models are available at https://github.com/GATECH-EIC/ShiftAddLLM.
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Symmetries have proven useful in machine learning models, improving generalisation and overall performance. At the same time, recent advancements in learning dynamical systems rely on modelling the underlying Hamiltonian to guarantee the conservation of energy. These approaches can be connected via a seminal result in mathematical physics: Noether's theorem, which states that symmetries in a dynamical system correspond to conserved quantities. This work uses Noether's theorem to parameterise symmetries as learnable conserved quantities. We then allow conserved quantities and associated symmetries to be learned directly from train data through approximate Bayesian model selection, jointly with the regular training procedure. As training objective, we derive a variational lower bound to the marginal likelihood. The objective automatically embodies an Occam's Razor effect that avoids collapse of conversation laws to the trivial constant, without the need to manually add and tune additional regularisers. We demonstrate a proof-of-principle on n-harmonic oscillators and n-body systems. We find that our method correctly identifies the correct conserved quantities and U(n) and SE(n) symmetry groups, improving overall performance and predictive accuracy on test data.
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Statistical learning theory is the foundation of machine learning, providing theoretical bounds for the risk of models learned from a (single) training set, assumed to issue from an unknown probability distribution. In actual deployment, however, the data distribution may (and often does) vary, causing domain adaptation/generalization issues. In this paper we lay the foundations for a `credal' theory of learning, using convex sets of probabilities (credal sets) to model the variability in the data-generating distribution. Such credal sets, we argue, may be inferred from a finite sample of training sets. Bounds are derived for the case of finite hypotheses spaces (both assuming realizability or not), as well as infinite model spaces, which directly generalize classical results.
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Generative models at times produce "invalid" outputs, such as images with generation artifacts and unnatural sounds. Validity-constrained distribution learning attempts to address this problem by requiring that the learned distribution have a provably small fraction of its mass in invalid parts of space -- something which standard loss minimization does not always ensure. To this end, a learner in this model can guide the learning via "validity queries", which allow it to ascertain the validity of individual examples. Prior work on this problem takes a worst-case stance, showing that proper learning requires an exponential number of validity queries, and demonstrating an improper algorithm which -- while generating guarantees in a wide-range of settings -- makes a relatively large polynomial number of validity queries. In this work, we take a first step towards characterizing regimes where guaranteeing validity is easier than in the worst-case. We show that when the data distribution lies in the model class and the log-loss is minimized, the number samples required to ensure validity has a weak dependence on the validity requirement. Additionally, we show that when the validity region belongs to a VC-class, a limited number of validity queries are often sufficient.
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The study of population dynamics originated with early sociological works but has since extended into many fields, including biology, epidemiology, evolutionary game theory, and economics. Most studies on population dynamics focus on the problem of prediction rather than control. Existing mathematical models for population control are often restricted to specific, noise-free dynamics, while real-world population changes can be complex and adversarial. To address this gap, we propose a new framework based on the paradigm of online control. We first characterize a set of linear dynamical systems that can naturally model evolving populations. We then give an efficient gradient-based controller for these systems, with near-optimal regret bounds with respect to a broad class of linear policies. Our empirical evaluations demonstrate the effectiveness of the proposed algorithm for population control even in non-linear models such as SIR and replicator dynamics.
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Multi-label active learning is a crucial yet challenging area in contemporary machine learning, often complicated by a large and sparse label space. This challenge is further exacerbated in active learning scenarios where labeling resources are constrained. Drawing inspiration from existing mixture of Bernoulli models, which efficiently compress the label space into a more manageable weight coefficient space by learning correlated Bernoulli components, we propose a novel model called Evidential Mixture Machines (EMM). Our model leverages mixture components derived from unsupervised learning in the label space and improves prediction accuracy by predicting weight coefficients following the evidential learning paradigm. These coefficients are aggregated as proxy pseudo counts to enhance component offset predictions. The evidential learning approach provides an uncertainty-aware connection between input features and the predicted coefficients and components. Additionally, our method combines evidential uncertainty with predicted label embedding covariances for active sample selection, creating a richer, multi-source uncertainty metric beyond traditional uncertainty scores. Experiments on synthetic datasets show the effectiveness of evidential uncertainty prediction and EMM's capability to capture label correlations through predicted components. Further testing on real-world datasets demonstrates improved performance compared to existing multi-label active learning methods.
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Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs for supervised pretraining. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules and associated labels. A major factor is the diversity of the pretraining data that comprises thousands of labels per molecule derived from bio-assays, quantum simulations, transcriptomics and phenomic imaging. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.
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Predicting potential outcomes of interventions from observational data is crucial for decision-making in medicine, but the task is challenging due to the fundamental problem of causal inference. Existing methods are largely limited to point estimates of potential outcomes with no uncertain quantification; thus, the full information about the distributions of potential outcomes is typically ignored. In this paper, we propose a novel causal diffusion model called DiffPO, which is carefully designed for reliable inferences in medicine by learning the distribution of potential outcomes. In our DiffPO, we leverage a tailored conditional denoising diffusion model to learn complex distributions, where we address the selection bias through a novel orthogonal diffusion loss. Another strength of our DiffPO method is that it is highly flexible (e.g., it can also be used to estimate different causal quantities such as CATE). Across a wide range of experiments, we show that our method achieves state-of-the-art performance.
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In online learning, a decision maker repeatedly selects one of a set of actions, with the goal of minimizing the overall loss incurred. Following the recent line of research on algorithms endowed with additional predictive features, we revisit this problem by allowing the decision maker to acquire additional information on the actions to be selected. In particular, we study the power of \emph{best-action queries}, which reveal beforehand the identity of the best action at a given time step. In practice, predictive features may be expensive, so we allow the decision maker to issue at most $k$ such queries. We establish tight bounds on the performance any algorithm can achieve when given access to $k$ best-action queries for different types of feedback models. In particular, we prove that in the full feedback model, $k$ queries are enough to achieve an optimal regret of $\Theta(\min\{\sqrt T, \frac{T}{k}\})$. This finding highlights the significant multiplicative advantage in the regret rate achievable with even a modest (sublinear) number $k \in \Omega(\sqrt{T})$ of queries. Additionally, we study the challenging setting in which the only available feedback is obtained during the time steps corresponding to the $k$ best-action queries. There, we provide a tight regret rate of $\Theta(\min\{\frac{T}{\sqrt k},\frac{T^2}{k^2}\})$, which improves over the standard $\Theta(\frac{T}{\sqrt k})$ regret rate for label efficient prediction for $k \in \Omega(T^{2/3})$.
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Transformers with linear attention (i.e., linear transformers) and state-space models have recently been suggested as a viable linear-time alternative to transformers with softmax attention. However, these models still underperform transformers especially on tasks that require in-context retrieval. While more expressive variants of linear transformers which replace the additive update in linear transformers with the delta rule (DeltaNet) have been found to be more effective at associative recall, existing algorithms for training such models do not parallelize over sequence length and are thus inefficient to train on modern hardware. This work describes a hardware-efficient algorithm for training linear transformers with the delta rule, which exploits a memory-efficient representation for computing products of Householder matrices. This algorithm allows us to scale up DeltaNet to standard language modeling settings. We train a 1.3B model for 100B tokens and find that it outperforms recent linear-time baselines such as Mamba and GLA in terms of perplexity and zero-shot performance on downstream tasks. We also experiment with two hybrid models which combine DeltaNet layers with (1) sliding-window attention layers every other layer or (2) two global attention layers, and find that these hybrids outperform strong transformer baselines.
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We present Preference Flow Matching (PFM), a new framework for preference alignment that streamlines the integration of preferences into an arbitrary class of pre-trained models. Existing alignment methods require fine-tuning pre-trained models, which presents challenges such as scalability, inefficiency, and the need for model modifications, especially with black-box APIs like GPT-4. In contrast, PFM utilizes flow matching techniques to directly learn from preference data, thereby reducing the dependency on extensive fine-tuning of pre-trained models. By leveraging flow-based models, PFM transforms less preferred data into preferred outcomes, and effectively aligns model outputs with human preferences without relying on explicit or implicit reward function estimation, thus avoiding common issues like overfitting in reward models. We provide theoretical insights that support our method’s alignment with standard preference alignment objectives. Experimental results indicate the practical effectiveness of our method, offering a new direction in aligning a pre-trained model to preference. Our code is available at https://github.com/jadehaus/preference-flow-matching.
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We study a dynamic pricing problem for third-party platform service fees under strategic, far-sighted customers. In each time period, the platform sets a service fee based on historical data, observes the resulting transaction quantities, and collects revenue. The platform also monitors equilibrium prices influenced by both demand and supply. The objective is to maximize total revenue over a time horizon $T$. Our problem incorporates three practical challenges: (a) initially, the platform lacks knowledge of the demand side beforehand, necessitating a balance between exploring (learning the demand curve) and exploiting (maximizing revenue) simultaneously; (b) since only equilibrium prices and quantities are observable, traditional Ordinary Least Squares (OLS) estimators would be biased and inconsistent; (c) buyers are rational and strategic, seeking to maximize their consumer surplus and potentially misrepresenting their preferences. To address these challenges, we propose novel algorithmic solutions. Our approach involves: (i) a carefully designed active randomness injection to balance exploration and exploitation effectively; (ii) using non-i.i.d. actions as instrumental variables (IV) to consistently estimate demand; (iii) a low-switching cost design that promotes nearly truthful buyer behavior. We show an expected regret bound of $\tilde{\mathcal{O}} (\sqrt{T}\wedge\sigma_S^{-2})$ and demonstrate its optimality, up to logarithmic factors, with respect to both the time horizon $T$ and the randomness in supply $\sigma_S$. Despite its simplicity, our model offers valuable insights into the use of actions as estimation instruments, the benefits of low-switching pricing policies in mitigating strategic buyer behavior, and the role of supply randomness in facilitating exploration which leads to a phase transition of policy performance.
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This paper introduces a boosted conformal procedure designed to tailor conformalized prediction intervals toward specific desired properties, such as enhanced conditional coverage or reduced interval length. We employ machine learning techniques, notably gradient boosting, to systematically improve upon a predefined conformity score function. This process is guided by carefully constructed loss functions that measure the deviation of prediction intervals from the targeted properties. The procedure operates post-training, relying solely on model predictions and without modifying the trained model (e.g., the deep network). Systematic experiments demonstrate that starting from conventional conformal methods, our boosted procedure achieves substantial improvements in reducing interval length and decreasing deviation from target conditional coverage.
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We propose a new model for dimensionality reduction, the PCA tree, which works like a regular autoencoder, having explicit projection and reconstruction mappings. The projection is effected by a sparse oblique tree, having hard, hyperplane splits using few features and linear leaves. The reconstruction mapping is a set of local linear mappings. Thus, rather than producing a global map as in t-SNE and other methods, which often leads to distortions, it produces a hierarchical set of local PCAs. The use of a sparse oblique tree and PCA makes the overall model interpretable and very fast to project or reconstruct new points. Joint optimization of all the parameters in the tree is a nonconvex nondifferentiable problem. We propose an algorithm that is guaranteed to decrease the error monotonically and which scales to large datasets without any approximation. In experiments, we show PCA trees are able to identify a wealth of low-dimensional and cluster structure in image and document datasets.
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The ability to perform different skills can encourage agents to explore. In this work, we aim to construct a set of diverse skills that uniformly cover the state space. We propose a formalization of this search for diverse skills, building on a previous definition based on the mutual information between states and skills. We consider the distribution of states reached by a policy conditioned on each skill and leverage the successor state representation to maximize the difference between these skill distributions. We call this approach LEADS: Learning Diverse Skills through Successor State Representations. We demonstrate our approach on a set of maze navigation and robotic control tasks which show that our method is capable of constructing a diverse set of skills which exhaustively cover the state space without relying on reward or exploration bonuses. Our findings demonstrate that this new formalization promotes more robust and efficient exploration by combining mutual information maximization and exploration bonuses.
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As large language models gain widespread adoption, running them efficiently becomes a crucial task. Recent works on LLM inference use speculative decoding to achieve extreme speedups. However, most of these works implicitly design their algorithms for high-end datacenter hardware. In this work, we ask the opposite question: how fast can we run LLMs on consumer machines? Consumer GPUs can no longer fit the largest available models and must offload them to RAM or SSD. With parameter offloading, hundreds or thousands of tokens can be processed in batches within the same time as just one token, making it a natural fit for speculative decoding. We propose SpecExec (Speculative Execution), a simple parallel decoding method that can generate up to 20 tokens per target model iteration for popular LLM families. SpecExec takes the most probable continuations from the draft model to build a "cache" tree for the target model, which then gets validated in a single pass. Using SpecExec, we demonstrate inference of 50B+ parameter LLMs on consumer GPUs with RAM offloading at 4--6 tokens per second with 4-bit quantization or 2--3 tokens per second with 16-bit weights. Our code is available at https://github.com/yandex-research/specexec .
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Many important datasets contain samples that are missing one or more feature values. Maintaining the interpretability of machine learning models in the presence of such missing data is challenging. Singly or multiply imputing missing values complicates the model’s mapping from features to labels. On the other hand, reasoning on indicator variables that represent missingness introduces a potentially large number of additional terms, sacrificing sparsity. We solve these problems with M-GAM, a sparse, generalized, additive modeling approach that incorporates missingness indicators and their interaction terms while maintaining sparsity through $\ell_0$ regularization. We show that M-GAM provides similar or superior accuracy to prior methods while significantly improving sparsity relative to either imputation or naïve inclusion of indicator variables.
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Deep learning succeeds by doing hierarchical feature learning, yet tuning hyper-parameters (HP) such as initialization scales, learning rates etc., only give indirect control over this behavior. In this paper, we introduce a key notion to predict and control feature learning: the angle $\theta_\ell$ between the feature updates and the backward pass (at layer index $\ell$). We show that the magnitude of feature updates after one GD step, at any training time, can be expressed via a simple and general *feature speed formula* in terms of this angle $\theta_\ell$, the loss decay, and the magnitude of the backward pass. This angle $\theta_\ell$ is controlled by the conditioning of the layer-to-layer Jacobians and at random initialization, it is determined by the spectrum of a certain kernel, which coincides with the Neural Tangent Kernel when $\ell=\text{depth}$. Given $\theta_\ell$, the feature speed formula provides us with rules to adjust HPs (scales and learning rates) so as to satisfy certain dynamical properties, such as feature learning and loss decay. We investigate the implications of our approach for ReLU MLPs and ResNets in the large width-then-depth limit. Relying on prior work, we show that in ReLU MLPs with iid initialization, the angle degenerates with depth as $\cos(\theta_\ell)=\Theta(1/\sqrt{\ell})$. In contrast, ResNets with branch scale $O(1/\sqrt{\text{depth}})$ maintain a non-degenerate angle $\cos(\theta_\ell)=\Theta(1)$. We use these insights to recover key properties of known HP scalings (such as $\mu$P), and also introduce a new HP scaling for large depth ReLU MLPs with favorable theoretical properties.
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Neural population activity often exhibits distinct dynamical features across time, which may correspond to distinct internal processes or behavior. Linear methods and variations thereof, such as Hidden Markov Model (HMM) and Switching Linear Dynamical System (SLDS), are often employed to identify discrete states with evolving neural dynamics. However, these techniques may not be able to capture the underlying nonlinear dynamics associated with neural propagation. Recurrent Neural Networks (RNNs) are commonly used to model neural dynamics thanks to their nonlinear characteristics. In our work, we develop Switching Recurrent Neural Networks (SRNN), RNNs with weights that switch across time, to reconstruct switching dynamics of neural time-series data. We apply these models to simulated data as well as cortical neural activity across mice and monkeys, which allows us to automatically detect discrete states that lead to the identification of varying neural dynamics. In a monkey reaching dataset with electrophysiology recordings, a mouse self-initiated lever pull dataset with widefield calcium recordings, and a mouse self-initiated decision making dataset with widefield calcium recording, SRNNs are able to automatically identify discrete states with distinct nonlinear neural dynamics. The inferred switches are aligned with the behavior, and the reconstructions show that the recovered neural dynamics are distinct across different stages of the behavior. We show that the neural dynamics have behaviorally-relevant switches across time and we are able to use SRNNs to successfully capture these switches and the corresponding dynamical features.
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Online experimentation with interference is a common challenge in modern applications such as e-commerce and adaptive clinical trials in medicine. For example, in online marketplaces, the revenue of a good depends on discounts applied to competing goods. Statistical inference with interference is widely studied in the offline setting, but far less is known about how to adaptively assign treatments to minimize regret. We address this gap by studying a multi-armed bandit (MAB) problem where a learner (e-commerce platform) sequentially assigns one of possible $\mathcal{A}$ actions (discounts) to $N$ units (goods) over $T$ rounds to minimize regret (maximize revenue). Unlike traditional MAB problems, the reward of each unit depends on the treatments assigned to other units, i.e., there is *interference* across the underlying network of units. With $\mathcal{A}$ actions and $N$ units, minimizing regret is combinatorially difficult since the action space grows as $\mathcal{A}^N$. To overcome this issue, we study a *sparse network interference* model, where the reward of a unit is only affected by the treatments assigned to $s$ neighboring units. We use tools from discrete Fourier analysis to develop a sparse linear representation of the unit-specific reward $r_n: [\mathcal{A}]^N \rightarrow \mathbb{R} $, and propose simple, linear regression-based algorithms to minimize regret. Importantly, our algorithms achieve provably low regret both when the learner observes the interference neighborhood for all units and when it is unknown. This significantly generalizes other works on this topic which impose strict conditions on the strength of interference on a *known* network, and also compare regret to a markedly weaker optimal action. Empirically, we corroborate our theoretical findings via numerical simulations.
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Knowledge Distillation is the mechanism by which the insights gained from a larger teacher model are transferred to a smaller student model. However, the transfer suffers when the teacher model is significantly larger than the student. To overcome this, prior works have proposed training intermediately sized models, Teacher Assistants (TAs) to help the transfer process. However, training TAs is expensive, as training these models is a knowledge transfer task in itself. Further, these TAs are larger than the student model and training them especially in large data settings can be computationally intensive. In this paper, we propose a novel framework called Controlled Information Flow for Knowledge Distillation (CIFD) consisting of two components. First, we propose a significantly smaller alternatives to TAs, the Rate-Distortion Module (RDM) which uses the teacher's penultimate layer embedding and a information rate-constrained bottleneck layer to replace the Teacher Assistant model. RDMs are smaller and easier to train than TAs, especially in large data regimes, since they operate on the teacher embeddings and do not need to relearn low level input feature extractors. Also, by varying the information rate across the bottleneck, RDMs can replace TAs of different sizes. Secondly, we propose the use of Information Bottleneck Module in the student model, which is crucial for regularization in the presence of a large number of RDMs. We show comprehensive state-of-the-art results of the proposed method over large datasets like Imagenet. Further, we show the significant improvement in distilling CLIP like models over a huge 12M image-text dataset. It outperforms CLIP specialized distillation methods across five zero-shot classification datasets and two zero-shot image-text retrieval datasets.
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Federated learning faces challenges due to the heterogeneity in data volumes and distributions at different clients, which can compromise model generalization ability to various distributions. Existing approaches to address this issue based on group distributionally robust optimization (GDRO) often lead to high communication and sample complexity. To this end, this work introduces algorithms tailored for communication-efficient Federated Group Distributionally Robust Optimization (FGDRO). Our contributions are threefold: Firstly, we introduce the FGDRO-CVaR algorithm, which optimizes the average top-K losses while reducing communication complexity to $O(1/\epsilon^4)$, where $\epsilon$ denotes the desired precision level. Secondly, our FGDRO-KL algorithm is crafted to optimize KL regularized FGDRO, cutting communication complexity to $O(1/\epsilon^3)$. Lastly, we propose FGDRO-KL-Adam to utilize Adam-type local updates in FGDRO-KL, which not only maintains a communication cost of $O(1/\epsilon^3)$ but also shows potential to surpass SGD-type local steps in practical applications. The effectiveness of our algorithms has been demonstrated on a variety of real-world tasks, including natural language processing and computer vision.
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The rapid development of large language and vision models (LLVMs) has been driven by advances in visual instruction tuning. Recently, open-source LLVMs have curated high-quality visual instruction tuning datasets and utilized additional vision encoders or multiple computer vision models in order to narrow the performance gap with powerful closed-source LLVMs. These advancements are attributed to multifaceted information required for diverse capabilities, including fundamental image understanding, real-world knowledge about common-sense and non-object concepts (e.g., charts, diagrams, symbols, signs, and math problems), and step-by-step procedures for solving complex questions. Drawing from the multifaceted information, we present a new efficient LLVM, Mamba-based traversal of rationales (Meteor), which leverages multifaceted rationale to enhance understanding and answering capabilities. To embed lengthy rationales containing abundant information, we employ the Mamba architecture, capable of processing sequential data with linear time complexity. We introduce a new concept of traversal of rationale that facilitates efficient embedding of rationale. Subsequently, the backbone multimodal language model (MLM) is trained to generate answers with the aid of rationale. Through these steps, Meteor achieves significant improvements in vision language performances across multiple evaluation benchmarks requiring diverse capabilities, without scaling up the model size or employing additional vision encoders and computer vision models.
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Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to assign higher likelihoods to more preferred outputs than less preferred outputs, measured via *ranking accuracy*. Surprisingly, we find that most state-of-the-art preference-tuned models achieve a ranking accuracy of less than 60% on common preference datasets. We furthermore derive the *idealized ranking accuracy* that a preference-tuned LLM would achieve if it optimized the DPO or RLHF objective perfectly. We demonstrate that existing models exhibit a significant *alignment gap* -- *i.e.*, a gap between the observed and idealized ranking accuracies. We attribute this discrepancy to the DPO objective, which is empirically and theoretically ill-suited to correct even mild ranking errors in the reference model, and derive a simple and efficient formula for quantifying the difficulty of learning a given preference datapoint. Finally, we demonstrate that ranking accuracy strongly correlates with the empirically popular win rate metric when the model is close to the reference model used in the objective, shedding further light on the differences between on-policy (e.g., RLHF) and off-policy (e.g., DPO) preference learning algorithms.
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High-dimensional linear bandits with low-dimensional structure have received considerable attention in recent studies due to their practical significance. The most common structure in the literature is sparsity. However, it may not be available in practice. Symmetry, where the reward is invariant under certain groups of transformations on the set of arms, is another important inductive bias in the high-dimensional case that covers many standard structures, including sparsity. In this work, we study high-dimensional symmetric linear bandits where the symmetry is hidden from the learner, and the correct symmetry needs to be learned in an online setting. We examine the structure of a collection of hidden symmetry and provide a method based on model selection within the collection of low-dimensional subspaces. Our algorithm achieves a regret bound of $ O(d_0^{2/3} T^{2/3} \log(d))$, where $d$ is the ambient dimension which is potentially very large, and $d_0$ is the dimension of the true low-dimensional subspace such that $d_0 \ll d$. With an extra assumption on well-separated models, we can further improve the regret to $ O(d_0 \sqrt{T\log(d)} )$.
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Sharpness-aware minimization (SAM) has been shown to improve the generalization of neural networks. However, each SAM update requires _sequentially_ computing two gradients, effectively doubling the per-iteration cost compared to base optimizers like SGD. We propose a simple modification of SAM, termed SAMPa, which allows us to fully parallelize the two gradient computations. SAMPa achieves a twofold speedup of SAM under the assumption that communication costs between devices are negligible. Empirical results show that SAMPa ranks among the most efficient variants of SAM in terms of computational time. Additionally, our method consistently outperforms SAM across both vision and language tasks. Notably, SAMPa theoretically maintains convergence guarantees even for _fixed_ perturbation sizes, which is established through a novel Lyapunov function. We in fact arrive at SAMPa by treating this convergence guarantee as a hard requirement---an approach we believe is promising for developing SAM-based methods in general. Our code is available at https://github.com/LIONS-EPFL/SAMPa.
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Learning with identical train and test distributions has been extensively investigated both practically and theoretically. Much remains to be understood, however, in statistical learning under distribution shifts. This paper focuses on a distribution shift setting where train and test distributions can be related by classes of (data) transformation maps. We initiate a theoretical study for this framework, investigating learning scenarios where the target class of transformations is either known or unknown. We establish learning rules and algorithmic reductions to Empirical Risk Minimization (ERM), accompanied with learning guarantees. We obtain upper bounds on the sample complexity in terms of the VC dimension of the class composing predictors with transformations, which we show in many cases is not much larger than the VC dimension of the class of predictors. We highlight that the learning rules we derive offer a game-theoretic viewpoint on distribution shift: a learner searching for predictors and an adversary searching for transformation maps to respectively minimize and maximize the worst-case loss.
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We provide a full characterization of the concept classes that are optimistically universally online learnable with {0, 1} labels. The notion of optimistically universal online learning was defined in [Hanneke, 2021] in order to understand learnability under minimal assumptions. In this paper, following the philosophy behind that work, we investigate two questions, namely, for every concept class: (1) What are the minimal assumptions on the data process admitting online learnability? (2) Is there a learning algorithm which succeeds under every data process satisfying the minimal assumptions? Such an algorithm is said to be optimistically universal for the given concept class. We resolve both of these questions for all concept classes, and moreover, as part of our solution we design general learning algorithms for each case. Finally, we extend these algorithms and results to the agnostic case, showing an equivalence between the minimal assumptions on the data process for learnability in the agnostic and realizable cases, for every concept class, as well as the equivalence of optimistically universal learnability.
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Accumulating evidence suggests stochastic cortical circuits can perform sampling-based Bayesian inference to compute the latent stimulus posterior. Canonical cortical circuits consist of excitatory (E) neurons and types of inhibitory (I) interneurons. Nevertheless, nearly no sampling neural circuit models consider the diversity of interneurons, and thus how interneurons contribute to sampling remains poorly understood. To provide theoretical insight, we build a nonlinear canonical circuit model consisting of recurrently connected E neurons and two types of I neurons including Parvalbumin (PV) and Somatostatin (SOM) neurons. The E neurons are modeled as a canonical ring (attractor) model, receiving global inhibition from PV neurons, and locally tuning-dependent inhibition from SOM neurons. We theoretically analyze the nonlinear circuit dynamics and analytically identify the Bayesian sampling algorithm performed by the circuit dynamics. We found a reduced circuit with only E and PV neurons performs Langevin sampling, and the inclusion of SOM neurons with tuning-dependent inhibition speeds up the sampling via upgrading the Langevin into Hamiltonian sampling. Moreover, the Hamiltonian framework requires SOM neurons to receive no direct feedforward connections, consistent with neuroanatomy. Our work provides overarching connections between nonlinear circuits with various types of interneurons and sampling algorithms, deepening our understanding of circuit implementation of Bayesian inference.
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This paper introduces a novel approach using Large Language Models (LLMs) integrated into an agent framework for flexible and effective personal mobility generation. LLMs overcome the limitations of previous models by effectively processing semantic data and offering versatility in modeling various tasks. Our approach addresses three research questions: aligning LLMs with real-world urban mobility data, developing reliable activity generation strategies, and exploring LLM applications in urban mobility. The key technical contribution is a novel LLM agent framework that accounts for individual activity patterns and motivations, including a self-consistency approach to align LLMs with real-world activity data and a retrieval-augmented strategy for interpretable activity generation. We evaluate our LLM agent framework and compare it with state-of-the-art personal mobility generation approaches, demonstrating the effectiveness of our approach and its potential applications in urban mobility. Overall, this study marks the pioneering work of designing an LLM agent framework for activity generation based on real-world human activity data, offering a promising tool for urban mobility analysis.
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Many machine learning tasks, such as principal component analysis and low-rank matrix completion, give rise to manifold optimization problems. Although there is a large body of work studying the design and analysis of algorithms for manifold optimization in the centralized setting, there are currently very few works addressing the federated setting. In this paper, we consider nonconvex federated learning over a compact smooth submanifold in the setting of heterogeneous client data. We propose an algorithm that leverages stochastic Riemannian gradients and a manifold projection operator to improve computational efficiency, uses local updates to improve communication efficiency, and avoids client drift. Theoretically, we show that our proposed algorithm converges sub-linearly to a neighborhood of a first-order optimal solution by using a novel analysis that jointly exploits the manifold structure and properties of the loss functions. Numerical experiments demonstrate that our algorithm has significantly smaller computational and communication overhead than existing methods.
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The success of machine learning models relies heavily on effectively representing high-dimensional data. However, ensuring data representations capture human-understandable concepts remains difficult, often requiring the incorporation of prior knowledge and decomposition of data into multiple subspaces. Traditional linear methods fall short in modeling more than one space, while more expressive deep learning approaches lack interpretability. Here, we introduce Supervised Independent Subspace Principal Component Analysis ($\texttt{sisPCA}$), a PCA extension designed for multi-subspace learning. Leveraging the Hilbert-Schmidt Independence Criterion (HSIC), $\texttt{sisPCA}$ incorporates supervision and simultaneously ensures subspace disentanglement. We demonstrate $\texttt{sisPCA}$'s connections with autoencoders and regularized linear regression and showcase its ability to identify and separate hidden data structures through extensive applications, including breast cancer diagnosis from image features, learning aging-associated DNA methylation changes, and single-cell analysis of malaria infection. Our results reveal distinct functional pathways associated with malaria colonization, underscoring the essentiality of explainable representation in high-dimensional data analysis.
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We consider the problem of online multiclass U-calibration, where a forecaster aims to make sequential distributional predictions over $K$ classes with low U-calibration error, that is, low regret with respect to all bounded proper losses simultaneously. Kleinberg et al. (2023) developed an algorithm with U-calibration error $\mathcal{O}(K\sqrt{T})$ after $T$ rounds and raised the open question of what the optimal bound is. We resolve this question by showing that the optimal U-calibration error is $\Theta(\sqrt{KT})$ --- we start with a simple observation that the Follow-the-Perturbed-Leader algorithm of Daskalakis and Syrgkanis (2016) achieves this upper bound, followed by a matching lower bound constructed with a specific proper loss (which, as a side result, also proves the optimality of the algorithm of Daskalakis and Syrgkanis (2016) in the context of online learning against an adversary with finite choices). We also strengthen our results under natural assumptions on the loss functions, including $\Theta(\log T)$ U-calibration error for Lipschitz proper losses, $\mathcal{O}(\log T)$ U-calibration error for a certain class of decomposable proper losses, U-calibration error bounds for proper losses with a low covering number, and others.
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While originally developed for continuous control problems, Proximal Policy Optimization (PPO) has emerged as the work-horse of a variety of reinforcement learning (RL) applications, including the fine-tuning of generative models. Unfortunately, PPO requires multiple heuristics to enable stable convergence (e.g. value networks, clipping), and is notorious for its sensitivity to the precise implementation of these components. In response, we take a step back and ask what a *minimalist* RL algorithm for the era of generative models would look like. We propose REBEL, an algorithm that cleanly reduces the problem of policy optimization to regressing the *relative reward* between two completions to a prompt in terms of the policy, enabling strikingly lightweight implementation. In theory, we prove that fundamental RL algorithms like Natural Policy Gradient can be seen as variants of REBEL, which allows us to match the strongest known theoretical guarantees in terms of convergence and sample complexity in the RL literature. REBEL can also cleanly incorporate offline data and be extended to handle the intransitive preferences we frequently see in practice. Empirically, we find that REBEL provides a unified approach to language modeling and image generation with stronger or similar performance as PPO and DPO, all while being simpler to implement and more computationally efficient than PPO. When fine-tuning Llama-3-8B-Instruct, REBEL achieves strong performance in AlpacaEval 2.0, MT-Bench, and Open LLM Leaderboard. Implementation of REBEL can be found at
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We present Causal Amortized Active Structure Learning (CAASL), an active intervention design policy that can select interventions that are adaptive, real-time and that does not require access to the likelihood. This policy, an amortized network based on the transformer, is trained with reinforcement learning on a simulator of the design environment, and a reward function that measures how close the true causal graph is to a causal graph posterior inferred from the gathered data. On synthetic data and a single-cell gene expression simulator, we demonstrate empirically that the data acquired through our policy results in a better estimate of the underlying causal graph than alternative strategies. Our design policy successfully achieves amortized intervention design on the distribution of the training environment while also generalizing well to distribution shifts in test-time design environments. Further, our policy also demonstrates excellent zero-shot generalization to design environments with dimensionality higher than that during training, and to intervention types that it has not been trained on.
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In the basic recommendation paradigm, the most (predicted) relevant item is recommended to each user. This may result in some items receiving lower exposure than they "should"; to counter this, several algorithmic approaches have been developed to ensure *item fairness*. These approaches necessarily degrade recommendations for some users to improve outcomes for items, leading to *user fairness* concerns. In turn, a recent line of work has focused on developing algorithms for multi-sided fairness, to jointly optimize user fairness, item fairness, and overall recommendation quality. This induces the question: *what is the tradeoff between these objectives, and what are the characteristics of (multi-objective) optimal solutions?* Theoretically, we develop a model of recommendations with user and item fairness objectives and characterize the solutions of fairness-constrained optimization. We identify two phenomena: (a) when user preferences are diverse, there is "free" item and user fairness; and (b) users whose preferences are misestimated can be *especially* disadvantaged by item fairness constraints. Empirically, we prototype a recommendation system for preprints on arXiv and implement our framework, measuring the phenomena in practice and showing how these phenomena inform the *design* of markets with recommendation systems-intermediated matching.
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Multi-Agent Reinforcement Learning (MARL) methods have shown promise in enabling agents to learn a shared communication protocol from scratch and accomplish challenging team tasks. However, the learned language is usually not interpretable to humans or other agents not co-trained together, limiting its applicability in ad-hoc teamwork scenarios. In this work, we propose a novel computational pipeline that aligns the communication space between MARL agents with an embedding space of human natural language by grounding agent communications on synthetic data generated by embodied Large Language Models (LLMs) in interactive teamwork scenarios. Our results demonstrate that introducing language grounding not only maintains task performance but also accelerates the emergence of communication. Furthermore, the learned communication protocols exhibit zero-shot generalization capabilities in ad-hoc teamwork scenarios with unseen teammates and novel task states. This work presents a significant step toward enabling effective communication and collaboration between artificial agents and humans in real-world teamwork settings.
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We give a model of how to infer natural language rules by doing experiments. The model integrates Large Language Models (LLMs) with Monte Carlo algorithms for probabilistic inference, interleaving online belief updates with experiment design under information-theoretic criteria. We conduct a human-model comparison on a Zendo-style task, finding that a critical ingredient for modeling the human data is to assume that humans also consider fuzzy, probabilistic rules, in addition to assuming that humans perform approximately-Bayesian belief updates. We also compare with recent algorithms for using LLMs to generate and revise hypotheses, finding that our online inference method yields higher accuracy at recovering the true underlying rule, and provides better support for designing optimal experiments.
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While Large Language Models (LLMs) display versatile functionality, they continue to generate harmful, biased, and toxic content, as demonstrated by the prevalence of human-designed *jailbreaks*. In this work, we present *Tree of Attacks with Pruning* (TAP), an automated method for generating jailbreaks that only requires black-box access to the target LLM. TAP utilizes an attacker LLM to iteratively refine candidate (attack) prompts until one of the refined prompts jailbreaks the target. In addition, before sending prompts to the target, TAP assesses them and prunes the ones unlikely to result in jailbreaks, reducing the number of queries sent to the target LLM. In empirical evaluations, we observe that TAP generates prompts that jailbreak state-of-the-art LLMs (including GPT4-Turbo and GPT4o) for more than 80% of the prompts. This significantly improves upon the previous state-of-the-art black-box methods for generating jailbreaks while using a smaller number of queries than them. Furthermore, TAP is also capable of jailbreaking LLMs protected by state-of-the-art *guardrails*, e.g., LlamaGuard.
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We study the fundamental problem of sequential probability assignment, also known as online learning with logarithmic loss, with respect to an arbitrary, possibly nonparametric hypothesis class. Our goal is to obtain a complexity measure for the hypothesis class that characterizes the minimax regret and to determine a general, minimax optimal algorithm. Notably, the sequential $\ell_{\infty}$ entropy, extensively studied in the literature (Rakhlin and Sridharan, 2015, Bilodeau et al., 2020, Wu et al., 2023), was shown to not characterize minimax regret in general. Inspired by the seminal work of Shtarkov (1987) and Rakhlin, Sridharan, and Tewari (2010), we introduce a novel complexity measure, the \emph{contextual Shtarkov sum}, corresponding to the Shtarkov sum after projection onto a multiary context tree, and show that the worst case log contextual Shtarkov sum equals the minimax regret. Using the contextual Shtarkov sum, we derive the minimax optimal strategy, dubbed \emph{contextual Normalized Maximum Likelihood} (cNML). Our results hold for sequential experts, beyond binary labels, which are settings rarely considered in prior work. To illustrate the utility of this characterization, we provide a short proof of a new regret upper bound in terms of sequential $\ell_{\infty}$ entropy, unifying and sharpening state-of-the-art bounds by Bilodeau et al. (2020) and Wu et al. (2023).
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Autoformalization is the task of translating natural language materials into machine-verifiable formalisations. Progress in autoformalization research is hindered by the lack of a sizeable dataset consisting of informal-formal pairs expressing the same essence. Existing methods tend to circumvent this challenge by manually curating small corpora or using few-shot learning with large language models. But these methods suffer from data scarcity and formal language acquisition difficulty. In this work, we create mma, a large, flexible, multi-language, and multi-domain dataset of informal-formal pairs, by using a language model to translate in the reverse direction, that is, from formal mathematical statements into corresponding informal ones. Experiments show that language models fine-tuned on mma can produce up to $29-31$\% of statements acceptable with minimal corrections on the miniF2F and ProofNet benchmarks, up from $0$\% with the base model. We demonstrate that fine-tuning on multi-language formal data results in more capable autoformalization models even on single-language tasks.
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Softmax Loss (SL) is widely applied in recommender systems (RS) and has demonstrated effectiveness. This work analyzes SL from a pairwise perspective, revealing two significant limitations: 1) the relationship between SL and conventional ranking metrics like DCG is not sufficiently tight; 2) SL is highly sensitive to false negative instances. Our analysis indicates that these limitations are primarily due to the use of the exponential function. To address these issues, this work extends SL to a new family of loss functions, termed Pairwise Softmax Loss (PSL), which replaces the exponential function in SL with other appropriate activation functions. While the revision is minimal, we highlight three merits of PSL: 1) it serves as a tighter surrogate for DCG with suitable activation functions; 2) it better balances data contributions; and 3) it acts as a specific BPR loss enhanced by Distributionally Robust Optimization (DRO). We further validate the effectiveness and robustness of PSL through empirical experiments. The code is available at https://github.com/Tiny-Snow/IR-Benchmark.
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Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching (SB), the most effective yet computationally expensive heuristic employed in the branch-and-bound algorithm. In the literature, message-passing GNN (MP-GNN), as the simplest GNN structure, is frequently used as a fast approximation of SB and we find that not all MILPs's SB can be represented with MP-GNN. We precisely define a class of ``MP-tractable" MILPs for which MP-GNNs can accurately approximate SB scores. Particularly, we establish a universal approximation theorem: for any data distribution over the MP-tractable class, there always exists an MP-GNN that can approximate the SB score with arbitrarily high accuracy and arbitrarily high probability, which lays a theoretical foundation of the existing works on imitating SB with MP-GNN. For MILPs without the MP-tractability, unfortunately, a similar result is impossible, which can be illustrated by two MILP instances with different SB scores that cannot be distinguished by any MP-GNN, regardless of the number of parameters. Recognizing this, we explore another GNN structure called the second-order folklore GNN (2-FGNN) that overcomes this limitation, and the aforementioned universal approximation theorem can be extended to the entire MILP space using 2-FGNN, regardless of the MP-tractability. A small-scale numerical experiment is conducted to directly validate our theoretical findings.
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We consider the problem of $K$-armed dueling bandits in the stochastic setting, under the sole assumption of the existence of a Condorcet winner. We study the objective of weak regret minimization, where the learner doesn't incur any loss if one of the selected arms is a Condorcet winner—unlike strong regret minimization, where the learner has to select the Condorcet winner twice to incur no loss. This study is particularly motivated by practical scenarios such as content recommendation and online advertising, where frequently only one optimal choice out of the two presented options is necessary to achieve user satisfaction or engagement. This necessitates the development of strategies with more exploration. While existing literature introduces strategies for weak regret with constant bounds (that do not depend on the time horizon), the optimality of these strategies remains an unresolved question. This problem turns out to be really challenging as the optimal regret should heavily depend on the full structure of the dueling problem at hand, and in particular on whether the Condorcet winner has a large minimal optimality gap with the other arms. Our contribution is threefold: first, when said optimality gap is not negligible compared to other properties of the gap matrix, we characterize the optimal budget as a function of $K$ and the optimality gap. Second, we propose a new strategy called \wrtinf that achieves this optimal regret and improves over the state-of-the-art both in $K$ and the optimality gap. When the optimality gap is negligible, we propose another algorithm that outperforms our first algorithm, highlighting the subtlety of this dueling bandit problem. Finally, we provide numerical simulations to assess our theoretical findings.
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We propose ID-to-3D, a method to generate identity- and text-guided 3D human heads with disentangled expressions, starting from even a single casually captured ‘in-the-wild’ image of a subject. The foundation of our approach is anchored in compositionality, alongside the use of task-specific 2D diffusion models as priors for optimization. First, we extend a foundational model with a lightweight expression-aware and ID-aware architecture, and create 2D priors for geometric and texture generation, via fine-tuning only 0.2% of its available training parameters. Then, we jointly leverage a neural parametric representation for the expression of each subject and a multi-stage generation of highly detailed geometry and albedo texture. This combination of strong face identity embeddings and our neural representation enables accurate reconstruction of not only facial features but also accessories and hair, and can be meshed to provide render-ready assets for gaming and telepresence. Our results achieve an unprecedented level of id-consistent and high-quality texture and geometry generation, generalizing to a ‘world’ of unseen 3D identities, without relying on large 3D captured datasets of human assets.
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Credit attribution is crucial across various fields. In academic research, proper citation acknowledges prior work and establishes original contributions. Similarly, in generative models, such as those trained on existing artworks or music, it is important to ensure that any generated content influenced by these works appropriately credits the original creators. We study credit attribution by machine learning algorithms. We propose new definitions--relaxations of Differential Privacy--that weaken the stability guarantees for a designated subset of $k$ datapoints. These $k$ datapoints can be used non-stably with permission from their owners, potentially in exchange for compensation. Meanwhile, the remaining datapoints are guaranteed to have no significant influence on the algorithm's output. Our framework extends well-studied notions of stability, including Differential Privacy ($k = 0$), differentially private learning with public data (where the $k$ public datapoints are fixed in advance), and stable sample compression (where the $k$ datapoints are selected adaptively by the algorithm). We examine the expressive power of these stability notions within the PAC learning framework, provide a comprehensive characterization of learnability for algorithms adhering to these principles, and propose directions and questions for future research.
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Neural image compression has made a great deal of progress. State-of-the-art models are based on variational autoencoders and are outperforming classical models. Neural compression models learn to encode an image into a quantized latent representation that can be efficiently sent to the decoder, which decodes the quantized latent into a reconstructed image. While these models have proven successful in practice, they lead to sub-optimal results due to imperfect optimization and limitations in the encoder and decoder capacity. Recent work shows how to use stochastic Gumbel annealing (SGA) to refine the latents of pre-trained neural image compression models. We extend this idea by introducing SGA+, which contains three different methods that build upon SGA. We show how our method improves the overall compression performance in terms of the R-D trade-off, compared to its predecessors. Additionally, we show how refinement of the latents with our best-performing method improves the compression performance on both the Tecnick and CLIC dataset. Our method is deployed for a pre-trained hyperprior and for a more flexible model. Further, we give a detailed analysis of our proposed methods and show that they are less sensitive to hyperparameter choices. Finally, we show how each method can be extended to three- instead of two-class rounding.
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Programming-by-Examples (PBE) aims to generate an algorithm from input-output examples. Such systems are practically and theoretically important: from an end-user perspective, they are deployed to millions of people, and from an AI perspective, PBE corresponds to a very general form of few-shot inductive inference. Given the success of Large Language Models (LLMs) in code-generation tasks, we investigate here the extent to which LLMs can be said to have "solved" PBE. We experiment on classic domains such as lists and strings, and an uncommon graphics programming domain not well represented in typical pretraining data. We find that pretrained models are not effective at PBE, but that they can be fine-tuned for much higher performance, provided the test problems are in-distribution. We analyze empirically what causes these models to succeed and fail, and take steps toward understanding how to achieve better out-of-distribution generalization. Collectively these results suggest that LLMs make strong progress toward solving the typical suite of PBE tasks, potentially increasing the flexibility and applicability of PBE systems, while also identifying ways in which LLMs still fall short.
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The pre-trained Large Language Models (LLMs) can be adapted for many downstream tasks and tailored to align with human preferences through fine-tuning. Recent studies have discovered that LLMs can achieve desirable performance with only a small amount of high-quality data, suggesting that a large portion of the data in these extensive datasets is redundant or even harmful. Identifying high-quality data from vast datasets to curate small yet effective datasets has emerged as a critical challenge. In this paper, we introduce SHED, an automated dataset refinement framework based on Shapley value for instruction fine-tuning. SHED eliminates the need for human intervention or the use of commercial LLMs. Moreover, the datasets curated through SHED exhibit transferability, indicating they can be reused across different LLMs with consistently high performance. We conduct extensive experiments to evaluate the datasets curated by SHED. The results demonstrate SHED's superiority over state-of-the-art methods across various tasks and LLMs; notably, datasets comprising only 10% of the original data selected by SHED achieve performance comparable to or surpassing that of the full datasets.
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We give a model-based agent that builds a Python program representing its knowledge of the world based on its interactions with the environment. The world model tries to explain its interactions, while also being optimistic about what reward it can achieve. We define this optimism as a logical constraint between a program and a planner. We study our agent on gridworlds, and on task planning, finding our approach is more sample-efficient compared to deep RL, more compute-efficient compared to ReAct-style agents, and that it can transfer its knowledge across environments by editing its code.
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We study stochastic approximation algorithms with Markovian noise and constant step-size $\alpha$. We develop a method based on infinitesimal generator comparisons to study the bias of the algorithm, which is the expected difference between $\theta_n$ ---the value at iteration $n$--- and $\theta^*$ ---the unique equilibrium of the corresponding ODE. We show that, under some smoothness conditions, this bias is of order $O(\alpha)$. Furthermore, we show that the time-averaged bias is equal to $\alpha V + O(\alpha^2)$, where $V$ is a constant characterized by a Lyapunov equation, showing that $E[\bar{\theta}_n] \approx \theta^*+V\alpha + O(\alpha^2)$, where $\bar{\theta}_n$ is the Polyak-Ruppert average. We also show that $\bar{\theta}_n$ converges with high probability around $\theta^*+\alpha V$. We illustrate how to combine this with Richardson-Romberg extrapolation to derive an iterative scheme with a bias of order $O(\alpha^2)$.
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The acquisition of training data is crucial for machine learning applications. Data markets can increase the supply of data, particularly in data-scarce domains such as healthcare, by incentivizing potential data providers to join the market. A major challenge for a data buyer in such a market is choosing the most valuable data points from a data seller. Unlike prior work in data valuation, which assumes centralized data access, we propose a federated approach to the data acquisition problem that is inspired by linear experimental design. Our proposed data acquisition method achieves lower prediction error without requiring labeled validation data and can be optimized in a fast and federated procedure. The key insight of our work is that a method that directly estimates the benefit of acquiring data for test set prediction is particularly compatible with a decentralized market setting.
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In this work, we study the mean-field flow for learning subspace-sparse polynomials using stochastic gradient descent and two-layer neural networks, where the input distribution is standard Gaussian and the output only depends on the projection of the input onto a low-dimensional subspace. We establish a necessary condition for SGD-learnability, involving both the characteristics of the target function and the expressiveness of the activation function. In addition, we prove that the condition is almost sufficient, in the sense that a condition slightly stronger than the necessary condition can guarantee the exponential decay of the loss functional to zero.
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Large language models (LLMs) have recently emerged as powerful tools for tackling many language-processing tasks. Despite their success, training and fine-tuning these models is still far too computationally and memory intensive. In this paper, we identify and characterise the important components needed for effective model convergence using gradient descent. In doing so we find that the intermediate activations used to implement backpropagation can be excessively compressed without incurring any degradation in performance. This result leads us to a cheap and memory-efficient algorithm for both fine-tuning and pre-training LLMs. The proposed algorithm simply divides the tokens up into smaller sub-tokens before projecting them onto a fixed 1-dimensional subspace during the forward pass. These features are then coarsely reconstructed during the backward pass to implement the update rules. We confirm the effectiveness of our algorithm as being complimentary to many state-of-the-art PEFT methods on the VTAB-1k fine-tuning benchmark. Furthermore, we outperform QLoRA for fine-tuning LLaMA and show competitive performance against other memory-efficient pre-training methods on the large-scale C4 dataset.
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Existing human rendering methods require every part of the human to be fully visible throughout the input video. However, this assumption does not hold in real-life settings where obstructions are common, resulting in only partial visibility of the human. Considering this, we present OccFusion, an approach that utilizes efficient 3D Gaussian splatting supervised by pretrained 2D diffusion models for efficient and high-fidelity human rendering. We propose a pipeline consisting of three stages. In the Initialization stage, complete human masks are generated from partial visibility masks. In the Optimization stage, 3D human Gaussians are optimized with additional supervisions by Score-Distillation Sampling (SDS) to create a complete geometry of the human. Finally, in the Refinement stage, in-context inpainting is designed to further improve rendering quality on the less observed human body parts. We evaluate OccFusion on ZJU-MoCap and challenging OcMotion sequences and found that it achieves state-of-the-art performance in the rendering of occluded humans.
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Distributionally Robust Optimization (DRO) accounts for uncertainty in data distributions by optimizing the model performance against the worst possible distribution within an ambiguity set. In this paper, we propose a DRO framework that relies on a new distance inspired by Unbalanced Optimal Transport (UOT). The proposed UOT distance employs a soft penalization term instead of hard constraints, enabling the construction of an ambiguity set that is more resilient to outliers. Under smoothness conditions, we establish strong duality of the proposed DRO problem. Moreover, we introduce a computationally efficient Lagrangian penalty formulation for which we show that strong duality also holds. Finally, we provide empirical results that demonstrate that our method offers improved robustness to outliers and is computationally less demanding for regression and classification tasks.
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Lately, there has been a surge in interest surrounding generative modeling of time series data. Most existing approaches are designed either to process short sequences or to handle long-range sequences. This dichotomy can be attributed to gradient issues with recurrent networks, computational costs associated with transformers, and limited expressiveness of state space models. Towards a unified generative model for varying-length time series, we propose in this work to transform sequences into images. By employing invertible transforms such as the delay embedding and the short-time Fourier transform, we unlock three main advantages: i) We can exploit advanced diffusion vision models; ii) We can remarkably process short- and long-range inputs within the same framework; and iii) We can harness recent and established tools proposed in the time series to image literature. We validate the effectiveness of our method through a comprehensive evaluation across multiple tasks, including unconditional generation, interpolation, and extrapolation. We show that our approach achieves consistently state-of-the-art results against strong baselines. In the unconditional generation tasks, we show remarkable mean improvements of $58.17$% over previous diffusion models in the short discriminative score and $132.61$% in the (ultra-)long classification scores. Code is at https://github.com/azencot-group/ImagenTime.
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Understanding the mechanisms of information storage and transfer in Transformer-based models is important for driving model understanding progress. Recent work has studied these mechanisms for Large Language Models (LLMs), revealing insights on how information is stored in a model's parameters and how information flows to and from these parameters in response to specific prompts. However, these studies have not yet been extended to Multi-modal Large Language Models (MLLMs). Given their expanding capabilities and real-world use, we start by studying one aspect of these models -- how MLLMs process information in a factual visual question answering task. We use a constraint-based formulation which views a visual question as having a set of visual or textual constraints that the model's generated answer must satisfy to be correct (e.g. What movie directed by \emph{the director in this photo} has won a \emph{Golden Globe}?). Under this setting, we contribute i) a method that extends causal information tracing from pure language to the multi-modal setting, and ii) \emph{VQA-Constraints}, a test-bed of 9.7K visual questions annotated with constraints. We use these tools to study two open-source MLLMs, LLaVa and multi-modal Phi-2. Our key findings show that these MLLMs rely on MLP and self-attention blocks in much earlier layers for information storage, compared to LLMs whose mid-layer MLPs are more important. We also show that a consistent small subset of visual tokens output by the vision encoder are responsible for transferring information from the image to these causal blocks. We validate these mechanisms by introducing MultEdit a model-editing algorithm that can correct errors and insert new long-tailed information into MLLMs by targeting these causal blocks. We will publicly release our dataset and code.
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Recent progress in Neural Causal Models (NCMs) showcased how identification and partial identification of causal effects can be automatically carried out via training of neural generative models that respect the constraints encoded in a given causal graph [Xia et al. 2022, Balazadeh et al. 2022]. However, formal consistency of these methods has only been proven for the case of discrete variables or only for linear causal models. In this work, we prove the consistency of partial identification via NCMs in a general setting with both continuous and categorical variables. Further, our results highlight the impact of the design of the underlying neural network architecture in terms of depth and connectivity as well as the importance of applying Lipschitz regularization in the training phase. In particular, we provide a counterexample showing that without Lipschitz regularization this method may not be asymptotically consistent. Our results are enabled by new results on the approximability of Structural Causal Models (SCMs) via neural generative models, together with an analysis of the sample complexity of the resulting architectures and how that translates into an error in the constrained optimization problem that defines the partial identification bounds.
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We introduce a doubly hierarchical generative representation for strand-based hair geometry that progresses from coarse, low-pass filtered guide hair to densely populated hair strands rich in high-frequency details. We employ the Discrete Cosine Transform (DCT) to separate low-frequency structural curves from high-frequency curliness and noise, avoiding the Gibbs' oscillation issues associated with the standard Fourier transform in open curves. Unlike the guide hair sampled from the scalp UV map grids which may lose capturing details of the hairstyle in existing methods, our method samples optimal sparse guide strands by utilizing $k$-medoids clustering centres from low-pass filtered dense strands, which more accurately retain the hairstyle's inherent characteristics. The proposed variational autoencoder-based generation network, with an architecture inspired by geometric deep learning and implicit neural representations, facilitates flexible, off-the-grid guide strand modelling and enables the completion of dense strands in any quantity and density, drawing on principles from implicit neural representations. Empirical evaluations confirm the capacity of the model to generate convincing guide hair and dense strands, complete with nuanced high-frequency details.
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Iteratively improving and repairing source code with large language models (LLMs), known as refinement, has emerged as a popular way of generating programs that would be too complex to construct in one shot. Given a bank of test cases, together with a candidate program, an LLM can improve that program by being prompted with failed test cases. But it remains an open question how to best iteratively refine code, with prior work employing simple greedy or breadth-first strategies. We show here that refinement exposes an explore-exploit tradeoff: exploit by refining the program that passes the most test cases, or explore by refining a lesser considered program. We frame this as an arm-acquiring bandit problem, which we solve with Thompson Sampling. The resulting LLM-based program synthesis algorithm is broadly applicable: Across loop invariant synthesis, visual reasoning puzzles, and competition programming problems, we find that our new method can solve more problems using fewer language model calls.
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Domain generalization (DG) methods aim to maintain good performance in an unseen target domain by using training data from multiple source domains. While success on certain occasions are observed, enhancing the baseline across most scenarios remains challenging. This work introduces a simple yet effective framework, dubbed learning from multiple experts (LFME), that aims to make the target model an expert in all source domains to improve DG. Specifically, besides learning the target model used in inference, LFME will also train multiple experts specialized in different domains, whose output probabilities provide professional guidance by simply regularizing the logit of the target model. Delving deep into the framework, we reveal that the introduced logit regularization term implicitly provides effects of enabling the target model to harness more information, and mining hard samples from the experts during training. Extensive experiments on benchmarks from different DG tasks demonstrate that LFME is consistently beneficial to the baseline and can achieve comparable performance to existing arts. Code is available at https://github.com/liangchen527/LFME.
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We consider the setting of repeated fair division between two players, denoted Alice and Bob, with private valuations over a cake. In each round, a new cake arrives, which is identical to the ones in previous rounds. Alice cuts the cake at a point of her choice, while Bob chooses the left piece or the right piece, leaving the remainder for Alice. We consider two versions: sequential, where Bob observes Alice's cut point before choosing left/right, and simultaneous, where he only observes her cut point after making his choice. The simultaneous version was first considered by Aumann and Maschler. We observe that if Bob is almost myopic and chooses his favorite piece too often, then he can be systematically exploited by Alice through a strategy akin to a binary search. This strategy allows Alice to approximate Bob's preferences with increasing precision, thereby securing a disproportionate share of the resource over time. We analyze the limits of how much a player can exploit the other one and show that fair utility profiles are in fact achievable. Specifically, the players can enforce the equitable utility profile of $(1/2, 1/2)$ in the limit on every trajectory of play, by keeping the other player's utility to approximately $1/2$ on average while guaranteeing they themselves get at least approximately $1/2$ on average. We show this theorem using a connection with Blackwell approachability. Finally, we analyze a natural dynamic known as fictitious play, where players best respond to the empirical distribution of the other player. We show that fictitious play converges to the equitable utility profile of $(1/2, 1/2)$ at a rate of $O(1/\sqrt{T})$.
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Adaptive methods are extremely popular in machine learning as they make learning rate tuning less expensive. This paper introduces a novel optimization algorithm named KATE, which presents a scale-invariant adaptation of the well-known AdaGrad algorithm. We prove the scale-invariance of KATE for the case of Generalized Linear Models. Moreover, for general smooth non-convex problems, we establish a convergence rate of $O((\log T)/\sqrt{T})$ for KATE, matching the best-known ones for AdaGrad and Adam. We also compare KATE to other state-of-the-art adaptive algorithms Adam and AdaGrad in numerical experiments with different problems, including complex machine learning tasks like image classification and text classification on real data. The results indicate that KATE consistently outperforms AdaGrad and matches/surpasses the performance of Adam in all considered scenarios.
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Error correcting output code (ECOC) is a classic method that encodes binary classifiers to tackle the multi-class classification problem in decision trees and neural networks. Among ECOCs, the one-hot code has become the default choice in modern deep neural networks (DNNs) due to its simplicity in decision making. However, it suffers from a significant limitation in its ability to achieve high robust accuracy, particularly in the presence of weight errors. While recent studies have experimentally demonstrated that the non-one-hot ECOCs with multi-bits error correction ability, could be a better solution, there is a notable absence of theoretical foundations that can elucidate the relationship between codeword design, weight-error magnitude, and network characteristics, so as to provide robustness guarantees. This work is positioned to bridge this gap through the lens of neural tangent kernel (NTK). We have two important theoretical findings: 1) In clean models (without weight errors), utilizing one-hot code and non-one-hot ECOC is akin to altering decoding metrics from $l_2$ distance to Mahalanobis distance. 2) In non-clean models (with weight errors), if the normalized distance exceeds a threshold, then non-clean DNNs can reach the clean model's accuracy as long as the code length approaches infinity. This threshold is determined by DNN architecture (e.g. layer number, activation), weight error magnitude, and the distance between the output and the nearest codeword. Based on these findings, we further demonstrate how to practically use them to identify optimal ECOCs for simple tasks (short-code ECOCs) and complex tasks (long-code ECOCs), by balancing the code orthogonality (as per finding 1) and code distance (as per finding 2). Extensive experimental results across four datasets and four DNN models validate the superior performance of constructed codes, guided by our findings, compared to existing ECOCs. To our best knowledge, this is the first work that provides theoretical explanations for the effectiveness of ECOCS and offers associated design guidance for optimal ECOCs specifically tailored to DNNs.
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In the adversarial streaming model, the input is a sequence of adaptive updates that defines an underlying dataset and the goal is to approximate, collect, or compute some statistic while using space sublinear in the size of the dataset. In 2022, Ben-Eliezer, Eden, and Onak showed a dense-sparse trade-off technique that elegantly combined sparse recovery with known techniques using differential privacy and sketch switching to achieve adversarially robust algorithms for $L_p$ estimation and other algorithms on turnstile streams. However, there has been no progress since, either in terms of achievability or impossibility. In this work, we first give improved algorithms for adversarially robust $L_p$-heavy hitters, utilizing deterministic turnstile heavy-hitter algorithms with better tradeoffs. We then utilize our heavy-hitter algorithm to reduce the problem to estimating the frequency moment of the tail vector. We give a new algorithm for this problem in the classical streaming setting, which achieves additive error and uses space independent in the size of the tail. We then leverage these ingredients to give an improved algorithm for adversarially robust $L_p$ estimation on turnstile streams. We believe that our results serve as an important conceptual message, demonstrating that there is no inherent barrier at the previous state-of-the-art.
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With the surging growth of model parameters, foundation models pose unprecedented challenges to traditional computational infrastructures. These large models inherently require substantial accelerator memory to accommodate massive tensors during pre-training, fine-tuning, and even inference stages, making it even more challenging to deploy a model with restricted computational resources. Given this challenge, distribution and offloading the model states are two major solutions. Partitioning the required states to participating workers, and storing them in lower speed media, such as host DRAM and block devices, largely alleviate the accelerator memory pressure. However, the prohibitive costs of tensor communication render it a theoretically plausible yet practically inefficient solution. Previous efforts to improve efficiency include maximizing rematerialization and employing chunk-based tensor management to reduce host-device communication. Despite these efforts, the reported training throughput only achieves 36.54% of model FLOPs utilization (MFUs), still not comparable to full on-device training. In this work, we redesign the data flow of heterogeneous hardware and sharded model training to minimize the excessive communication overhead. Our proposed scheme significantly enhances training and inference throughput of large language models under restrictive computational resources. We confirmed a large leap in effective compute time by looking into the kernel-level runtime behavior of our trials, where the MFUs can achieve up to 51%. Compared to the state-of-the-art approach, our framework robustly achieves remarkable speedups from 3x to 30x in multiple distributed heterogeneous training setups and inference speedups of 1.5x to 2.35x without compromising arithmetic precision.
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Low-rank approximation and column subset selection are two fundamental and related problems that are applied across a wealth of machine learning applications. In this paper, we study the question of socially fair low-rank approximation and socially fair column subset selection, where the goal is to minimize the loss over all sub-populations of the data. We show that surprisingly, even constant-factor approximation to fair low-rank approximation requires exponential time under certain standard complexity hypotheses. On the positive side, we give an algorithm for fair low-rank approximation that, for a constant number of groups and constant-factor accuracy, runs in $2^{\text{poly}(k)}$ rather than the naive $n^{\text{poly}(k)}$, which is a substantial improvement when the dataset has a large number $n$ of observations. We then show that there exist bicriteria approximation algorithms for fair low-rank approximation and fair column subset selection that runs in polynomial time.
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One of the urgent tasks of artificial intelligence is to assess the safety and alignment of large language models (LLMs) with human behavior. Conventional verification only in pure natural language processing benchmarks can be insufficient. Since emotions often influence human decisions, this paper examines LLM alignment in complex strategic and ethical environments, providing an in-depth analysis of the drawbacks of our psychology and the emotional impact on decision-making in humans and LLMs. We introduce the novel EAI framework for integrating emotion modeling into LLMs to examine the emotional impact on ethics and LLM-based decision-making in various strategic games, including bargaining and repeated games. Our experimental study with various LLMs demonstrated that emotions can significantly alter the ethical decision-making landscape of LLMs, highlighting the need for robust mechanisms to ensure consistent ethical standards. Our game-theoretic analysis revealed that LLMs are susceptible to emotional biases influenced by model size, alignment strategies, and primary pretraining language. Notably, these biases often diverge from typical human emotional responses, occasionally leading to unexpected drops in cooperation rates, even under positive emotional influence. Such behavior complicates the alignment of multiagent systems, emphasizing the need for benchmarks that can rigorously evaluate the degree of emotional alignment. Our framework provides a foundational basis for developing such benchmarks.
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The rapid development of Large Language Models (LLMs) has been pivotal in advancing AI, with pre-trained LLMs being adaptable to diverse downstream tasks through fine-tuning. Federated learning (FL) further enhances fine-tuning in a privacy-aware manner by utilizing clients' local data through in-situ computation, eliminating the need for data movement. However, fine-tuning LLMs, given their massive scale of parameters, poses challenges for clients with constrained and heterogeneous resources in FL. Previous methods employed low-rank adaptation (LoRA) for efficient federated fine-tuning but utilized traditional FL aggregation strategies on LoRA adapters. This approach led to mathematically inaccurate aggregation noise, reducing fine-tuning effectiveness and failing to address heterogeneous LoRAs. In this work, we first highlight the mathematical incorrectness of LoRA aggregation in existing federated fine-tuning methods. We introduce a new approach called FLoRA that enables federated fine-tuning on heterogeneous LoRA adapters across clients through a novel stacking-based aggregation method. Our approach is noise-free and seamlessly supports heterogeneous LoRAs. Extensive experiments demonstrate FLoRA's superior performance in both homogeneous and heterogeneous settings, surpassing state-of-the-art methods. We envision this work as a milestone for efficient, privacy-preserving, and accurate federated fine-tuning of LLMs.
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Recent advances in calcium imaging enable simultaneous recordings of up to a million neurons in behaving animals, producing datasets of unprecedented scales. Although individual neurons and their activity traces can be extracted from these videos with automated algorithms, the results often require human curation to remove false positives, a laborious process called \emph{cell sorting}. To address this challenge, we introduce ActSort, an active-learning algorithm for sorting large-scale datasets that integrates features engineered by domain experts together with data formats with minimal memory requirements. By strategically bringing outlier cell candidates near the decision boundary up for annotation, ActSort reduces human labor to about 1–3\% of cell candidates and improves curation accuracy by mitigating annotator bias. To facilitate the algorithm's widespread adoption among experimental neuroscientists, we created a user-friendly software and conducted a first-of-its-kind benchmarking study involving about 160,000 annotations. Our tests validated ActSort's performance across different experimental conditions and datasets from multiple animals. Overall, ActSort addresses a crucial bottleneck in processing large-scale calcium videos of neural activity and thereby facilitates systems neuroscience experiments at previously inaccessible scales. (\url{https://github.com/schnitzer-lab/ActSort-public})
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Federated Learning (FL), a privacy-aware approach in distributed deep learning environments, enables many clients to collaboratively train a model without sharing sensitive data, thereby reducing privacy risks. However, enabling human trust and control over FL systems requires understanding the evolving behaviour of clients, whether beneficial or detrimental for the training, which still represents a key challenge in the current literature. To address this challenge, we introduce Federated Behavioural Planes (FBPs), a novel method to analyse, visualise, and explain the dynamics of FL systems, showing how clients behave under two different lenses: predictive performance (error behavioural space) and decision-making processes (counterfactual behavioural space). Our experiments demonstrate that FBPs provide informative trajectories describing the evolving states of clients and their contributions to the global model, thereby enabling the identification of clusters of clients with similar behaviours. Leveraging the patterns identified by FBPs, we propose a robust aggregation technique named Federated Behavioural Shields to detect malicious or noisy client models, thereby enhancing security and surpassing the efficacy of existing state-of-the-art FL defense mechanisms. Our code is publicly available on GitHub.
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Text-to-image diffusion models have made significant progress in generating naturalistic images from textual inputs, and demonstrate the capacity to learn and represent complex visual-semantic relationships. While these diffusion models have achieved remarkable success, the underlying mechanisms driving their performance are not yet fully accounted for, with many unanswered questions surrounding what they learn, how they represent visual-semantic relationships, and why they sometimes fail to generalize. Our work presents Diffusion Partial Information Decomposition (DiffusionPID), a novel technique that applies information-theoretic principles to decompose the input text prompt into its elementary components, enabling a detailed examination of how individual tokens and their interactions shape the generated image. We introduce a formal approach to analyze the uniqueness, redundancy, and synergy terms by applying PID to the denoising model at both the image and pixel level. This approach enables us to characterize how individual tokens and their interactions affect the model output. We first present a fine-grained analysis of characteristics utilized by the model to uniquely localize specific concepts, we then apply our approach in bias analysis and show it can recover gender and ethnicity biases. Finally, we use our method to visually characterize word ambiguity and similarity from the model’s perspective and illustrate the efficacy of our method for prompt intervention. Our results show that PID is a potent tool for evaluating and diagnosing text-to-image diffusion models. Link to project page: https://rbz-99.github.io/Diffusion-PID/.
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To build intelligent machine learning systems, modern representation learning attempts to recover latent generative factors from data, such as in causal representation learning. A key question in this growing field is to provide rigorous conditions under which latent factors can be identified and thus, potentially learned. Motivated by extensive empirical literature on linear representations and concept learning, we propose to relax causal notions with a geometric notion of concepts. We formally define a notion of concepts and show rigorously that they can be provably recovered from diverse data. Instead of imposing assumptions on the "true" generative latent space, we assume that concepts can be represented linearly in this latent space. The tradeoff is that instead of identifying the "true" generative factors, we identify a subset of desired human-interpretable concepts that are relevant for a given application. Experiments on synthetic data, multimodal CLIP models and large language models supplement our results and show the utility of our approach. In this way, we provide a foundation for moving from causal representations to interpretable, concept-based representations by bringing together ideas from these two neighboring disciplines.
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The recent increasing adoption of autobidding has inspired the growing interest in analyzing the performance of classic mechanism with value-maximizing autobidders both theoretically and empirically. It is known that optimal welfare can be obtained in first-price auctions if autobidders are restricted to uniform bid-scaling and the price of anarchy is $2$ when non-uniform bid-scaling strategies are allowed. In this paper, we provide a fine-grained price of anarchy analysis for non-uniform bid-scaling strategies in first-price auctions, demonstrating the reason why more powerful (individual) non-uniform bid-scaling strategies may lead to worse (aggregated) performance in social welfare. Our theoretical results match recent empirical findings that a higher level of non-uniform bid-scaling leads to lower welfare performance in first-price auctions.
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Gradient-based algorithms have shown great promise in solving large (two-player) zero-sum games. However, their success has been mostly confined to the low-precision regime since the number of iterations grows polynomially in $1/\epsilon$, where $\epsilon > 0$ is the duality gap. While it has been well-documented that linear convergence---an iteration complexity scaling as $\text{log}(1/\epsilon)$---can be attained even with gradient-based algorithms, that comes at the cost of introducing a dependency on certain condition number-like quantities which can be exponentially large in the description of the game. To address this shortcoming, we examine the iteration complexity of several gradient-based algorithms in the celebrated framework of smoothed analysis, and we show that they have polynomial smoothed complexity, in that their number of iterations grows as a polynomial in the dimensions of the game, $\text{log}(1/\epsilon)$, and $1/\sigma$, where $\sigma$ measures the magnitude of the smoothing perturbation. Our result applies to optimistic gradient and extra-gradient descent/ascent, as well as a certain iterative variant of Nesterov's smoothing technique. From a technical standpoint, the proof proceeds by characterizing and performing a smoothed analysis of a certain error bound, the key ingredient driving linear convergence in zero-sum games. En route, our characterization also makes a natural connection between the convergence rate of such algorithms and perturbation-stability properties of the equilibrium, which is of interest beyond the model of smoothed complexity.
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The goal of this paper is to investigate the complexity of gradient algorithms when learning sparse functions (juntas). We introduce a type of Statistical Queries ($\mathsf{SQ}$), which we call Differentiable Learning Queries ($\mathsf{DLQ}$), to model gradient queries on a specified loss with respect to an arbitrary model. We provide a tight characterization of the query complexity of $\mathsf{DLQ}$ for learning the support of a sparse function over generic product distributions. This complexity crucially depends on the loss function. For the squared loss, $\mathsf{DLQ}$ matches the complexity of Correlation Statistical Queries $(\mathsf{CSQ})$—potentially much worse than $\mathsf{SQ}$. But for other simple loss functions, including the $\ell_1$ loss, $\mathsf{DLQ}$ always achieves the same complexity as $\mathsf{SQ}$. We also provide evidence that $\mathsf{DLQ}$ can indeed capture learning with (stochastic) gradient descent by showing it correctly describes the complexity of learning with a two-layer neural network in the mean field regime and linear scaling.
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We consider the challenge of AI value alignment with multiple individuals that have different reward functions and optimal policies in an underlying Markov decision process. We formalize this problem as one of *policy aggregation*, where the goal is to identify a desirable collective policy. We argue that an approach informed by social choice theory is especially suitable. Our key insight is that social choice methods can be reinterpreted by identifying ordinal preferences with volumes of subsets of the *state-action occupancy polytope*. Building on this insight, we demonstrate that a variety of methods — including approval voting, Borda count, the proportional veto core, and quantile fairness — can be practically applied to policy aggregation.
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While Vision Transformer (ViT) have achieved success across various machine learning tasks, deploying them in real-world scenarios faces a critical challenge: generalizing under Out-of-Distribution (OoD) shifts. A crucial research gap remains in understanding how to design ViT architectures – both manually and automatically – to excel in OoD generalization. **To address this gap,** we introduce OoD-ViT-NAS, the first systematic benchmark for ViT Neural Architecture Search (NAS) focused on OoD generalization. This comprehensive benchmark includes 3,000 ViT architectures of varying model computational budgets evaluated on common large-scale OoD datasets. With this comprehensive benchmark at hand, we analyze the factors that contribute to the OoD generalization of ViT architecture. Our analysis uncovers several key insights. Firstly, we show that ViT architecture designs have a considerable impact on OoD generalization. Secondly, we observe that In-Distribution (ID) accuracy might not be a very good indicator of OoD accuracy. This underscores the risk that ViT architectures optimized for ID accuracy might not perform well under OoD shifts. Thirdly, we conduct the first study to explore NAS for ViT’s OoD robustness. Specifically, we study 9 Training-free NAS for their OoD generalization performance on our benchmark. We observe that existing Training-free NAS are largely ineffective in predicting OoD accuracy despite their effectiveness at predicting ID accuracy. Moreover, simple proxies like #Param or #Flop surprisingly outperform more complex Training-free NAS in predicting ViTs OoD accuracy. Finally, we study how ViT architectural attributes impact OoD generalization. We discover that increasing embedding dimensions of a ViT architecture generally can improve the OoD generalization. We show that ViT architectures in our benchmark exhibit a wide range of OoD accuracy, with up to 11.85% for some OoD shift, prompting the importance to study ViT architecture design for OoD. We firmly believe that our OoD-ViT-NAS benchmark and our analysis can catalyze and streamline important research on understanding how ViT architecture designs influence OoD generalization. **Our OoD-NAS-ViT benchmark and code are available at [https://hosytuyen.github.io/projects/OoD-ViT-NAS](https://hosytuyen.github.io/projects/OoD-ViT-NAS)**
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Equivariant machine learning is an approach for designing deep learning models that respect the symmetries of the problem, with the aim of reducing model complexity and improving generalization. In this paper, we focus on an extension of shift equivariance, which is the basis of convolution networks on images, to general graphs. Unlike images, graphs do not have a natural notion of domain translation. Therefore, we consider the graph functional shifts as the symmetry group: the unitary operators that commute with the graph shift operator. Notably, such symmetries operate in the signal space rather than directly in the spatial space. We remark that each linear filter layer of a standard spectral graph neural network (GNN) commutes with graph functional shifts, but the activation function breaks this symmetry. Instead, we propose nonlinear spectral filters (NLSFs) that are fully equivariant to graph functional shifts and show that they have universal approximation properties. The proposed NLSFs are based on a new form of spectral domain that is transferable between graphs. We demonstrate the superior performance of NLSFs over existing spectral GNNs in node and graph classification benchmarks.
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Recent breakthrough results by Dagan, Daskalakis, Fishelson and Golowich [2023] and Peng and Rubinstein [2023] established an efficient algorithm attaining at most $\epsilon$ swap regret over extensive-form strategy spaces of dimension $N$ in $N^{\tilde O(1/\epsilon)}$ rounds. On the other extreme, Farina and Pipis [2023] developed an efficient algorithm for minimizing the weaker notion of linear-swap regret in $\mathsf{poly}(N)/\epsilon^2$ rounds. In this paper, we develop efficient parameterized algorithms for regimes between these two extremes. We introduce the set of $k$-mediator deviations, which generalize the untimed communication deviations recently introduced by Zhang, Farina and Sandholm [2024] to the case of having multiple mediators, and we develop algorithms for minimizing the regret with respect to this set of deviations in $N^{O(k)}/\epsilon^2$ rounds. Moreover, by relating $k$-mediator deviations to low-degree polynomials, we show that regret minimization against degree-$k$ polynomial swap deviations is achievable in $N^{O(kd)^3}/\epsilon^2$ rounds, where $d$ is the depth of the game, assuming a constant branching factor. For a fixed degree $k$, this is polynomial for Bayesian games and quasipolynomial more broadly when $d = \mathsf{polylog} N$---the usual balancedness assumption on the game tree. The first key ingredient in our approach is a relaxation of the usual notion of a fixed point required in the framework of Gordon, Greenwald and Marks [2008]. Namely, for a given deviation $\phi$, we show that it suffices to compute what we refer to as a fixed point in expectation; that is, a distribution $\pi$ such that $\mathbb{E}_{x \sim \pi} [\phi(x) - x] \approx 0$. Unlike the problem of computing an actual (approximate) fixed point $x \approx \phi(x)$, which we show is \PPAD-hard, there is a simple and efficient algorithm for finding a solution that satisfies our relaxed notion. As a byproduct, we provide, to our knowledge, the fastest algorithm for computing $\epsilon$-correlated equilibria in normal-form games in the medium-precision regime, obviating the need to solve a linear system in every round. Our second main contribution is a characterization of the set of low-degree deviations, made possible through a connection to low-depth decisions trees from Boolean analysis.
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Contextual linear optimization (CLO) uses predictive contextual features to reduce uncertainty in random cost coefficients and thereby improve average-cost performance. An example is the stochastic shortest path problem with random edge costs (e.g., traffic) and contextual features (e.g., lagged traffic, weather). Existing work on CLO assumes the data has fully observed cost coefficient vectors, but in many applications, we can only see the realized cost of a historical decision, that is, just one projection of the random cost coefficient vector, to which we refer as bandit feedback. We study a class of offline learning algorithms for CLO with bandit feedback, which we term induced empirical risk minimization (IERM), where we fit a predictive model to directly optimize the downstream performance of the policy it induces. We show a fast-rate regret bound for IERM that allows for misspecified model classes and flexible choices of the optimization estimate, and we develop computationally tractable surrogate losses. A byproduct of our theory of independent interest is fast-rate regret bound for IERM with full feedback and misspecified policy class. We compare the performance of different modeling choices numerically using a stochastic shortest path example and provide practical insights from the empirical results.
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Among approaches for provably safe reinforcement learning, Model Predictive Shielding (MPS) has proven effective at complex tasks in continuous, high-dimensional state spaces, by leveraging a *backup policy* to ensure safety when the learned policy attempts to take risky actions. However, while MPS can ensure safety both during and after training, it often hinders task progress due to the conservative and task-oblivious nature of backup policies. This paper introduces *Dynamic Model Predictive Shielding* (DMPS), which optimizes reinforcement learning objectives while maintaining provable safety. DMPS employs a local planner to dynamically select safe recovery actions that maximize both short-term progress as well as long-term rewards. Crucially, the planner and the neural policy play a synergistic role in DMPS. When planning recovery actions for ensuring safety, the planner utilizes the neural policy to estimate long-term rewards, allowing it to *observe* beyond its short-term planning horizon. Conversely, the neural policy under training learns from the recovery plans proposed by the planner, converging to policies that are both *high-performing* and *safe* in practice. This approach guarantees safety during and after training, with bounded recovery regret that decreases exponentially with planning horizon depth. Experimental results demonstrate that DMPS converges to policies that rarely require shield interventions after training and achieve higher rewards compared to several state-of-the-art baselines.
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Dimension reduction (DR) is an important and widely studied technique in exploratory data analysis. However, traditional DR methods are not applicable to datasets with with a contrastive structure, where data are split into a foreground group of interest (case or treatment group), and a background group (control group). This type of data, common in biomedical studies, necessitates contrastive dimension reduction (CDR) methods to effectively capture information unique to or enriched in the foreground group relative to the background group. Despite the development of various CDR methods, two critical questions remain underexplored: when should these methods be applied, and how can the information unique to the foreground group be quantified? In this work, we address these gaps by proposing a hypothesis test to determine the existence of contrastive information, and introducing a contrastive dimension estimator (CDE) to quantify the unique components in the foreground group. We provide theoretical support for our methods and validate their effectiveness through extensive simulated, semi-simulated, and real experiments involving images, gene expressions, protein expressions, and medical sensors, demonstrating their ability to identify the unique information in the foreground group.
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Planning in real-world settings often entails addressing partial observability while aligning with users' requirements. We present a novel framework for expressing users' constraints and preferences about agent behavior in a partially observable setting using parameterized belief-state query (BSQ) constraints in the setting of goal-oriented partially observable Markov decision processes (gPOMDPs). We present the first formal analysis of such constraints and prove that while the expected cost of a BSQ constraint is not a convex function w.r.t its parameters, it is piecewise constant and yields an implicit discrete parameter search space that is finite for finite horizons. This theoretical result leads to novel algorithms that optimize gPOMDP agent behavior with guaranteed user alignment. Theoretical analysis proves that our algorithms converge to the optimal user-aligned behavior in the limit. Empirical results show that BSQ constraints provide a computationally feasible approach for user-aligned planning in partially observable settings.
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Randomized Sparse Matrix Compression for Large-Scale Constrained Optimization in Cancer Radiotherapy
Radiation therapy, treating over half of all cancer patients, involves using specialized machines to direct high-energy beams at tumors, aiming to damage cancer cells while minimizing harm to nearby healthy tissues. Customizing the shape and intensity of radiation beams for each patient leads to solving large-scale constrained optimization problems that need to be solved within tight clinical time-frame. At the core of these challenges is a large matrix that is commonly sparsified for computational efficiency by neglecting small elements. Such a crude approximation can degrade the quality of treatment, potentially causing unnecessary radiation exposure to healthy tissues—this may lead to significant radiation-induced side effects—or delivering inadequate radiation to the tumor, which is crucial for effective tumor treatment. In this work, we demonstrate, for the first time, that randomized sketch tools can effectively sparsify this matrix without sacrificing treatment quality. We also develop a novel randomized sketch method with desirable theoretical guarantees that outperforms existing techniques in practical application. Beyond developing a novel randomized sketch method, this work emphasizes the potential of harnessing scientific computing tools, crucial in today's big data analysis, to tackle computationally intensive challenges in healthcare. The application of these tools could have a profound impact on the lives of numerous cancer patients. Code and sample data available at https://github.com/PortPy-Project/CompressRTP
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*Constrained Reinforcement Learning* (CRL) tackles sequential decision-making problems where agents are required to achieve goals by maximizing the expected return while meeting domain-specific constraints, which are often formulated on expected costs. In this setting, *policy-based* methods are widely used since they come with several advantages when dealing with continuous-control problems. These methods search in the policy space with an *action-based* or *parameter-based* exploration strategy, depending on whether they learn directly the parameters of a stochastic policy or those of a stochastic hyperpolicy. In this paper, we propose a general framework for addressing CRL problems via *gradient-based primal-dual* algorithms, relying on an alternate ascent/descent scheme with dual-variable regularization. We introduce an exploration-agnostic algorithm, called C-PG, which exhibits global last-iterate convergence guarantees under (weak) gradient domination assumptions, improving and generalizing existing results. Then, we design C-PGAE and C-PGPE, the action-based and the parameter-based versions of C-PG, respectively, and we illustrate how they naturally extend to constraints defined in terms of *risk measures* over the costs, as it is often requested in safety-critical scenarios. Finally, we numerically validate our algorithms on constrained control problems, and compare them with state-of-the-art baselines, demonstrating their effectiveness.
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This paper examines two extensions of multi-armed bandit problems: multi-armed bandits with expert advice and contextual linear bandits. For the former problem, multi-armed bandits with expert advice, the previously known best upper and lower bounds have been $O(\sqrt{KT \log \frac{N}{K} })$ and $\Omega( \sqrt{KT \frac{ \log N }{\log K }} )$, respectively. Here, $K$, $N$, and $T$ represent the numbers of arms, experts, and rounds, respectively. This paper closes the gap between these bounds by presenting a matching lower bound of $\Omega( \sqrt{KT \log \frac{N}{K}} )$. This lower bound is shown for the problem setting in which the player chooses an expert before observing the advices in each round. For the latter problem, contextual linear bandits, we provide an algorithm that achieves $O ( \sqrt{d T \log ( K \min\{ 1, \frac{S}{d} \} )} )$ together with a matching lower bound, where $d$ and $S$ represent the dimensionality of feature vectors and the size of the context space, respectively.
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Independent Component Analysis (ICA) was introduced in the 1980's as a model for Blind Source Separation (BSS), which refers to the process of recovering the sources underlying a mixture of signals, with little knowledge about the source signals or the mixing process. While there are many sophisticated algorithms for estimation, different methods have different shortcomings. In this paper, we develop a nonparametric score to adaptively pick the right algorithm for ICA with arbitrary Gaussian noise. The novelty of this score stems from the fact that it just assumes a finite second moment of the data and uses the characteristic function to evaluate the quality of the estimated mixing matrix without any knowledge of the parameters of the noise distribution. In addition, we propose some new contrast functions and algorithms that enjoy the same fast computability as existing algorithms like FASTICA and JADE but work in domains where the former may fail. While these also may have weaknesses, our proposed diagnostic, as shown by our simulations, can remedy them. Finally, we propose a theoretical framework to analyze the local and global convergence properties of our algorithms.
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Machine learning for node classification on graphs is a prominent area driven by applications such as recommendation systems. State-of-the-art models often use multiple graph convolutions on the data, as empirical evidence suggests they can enhance performance. However, it has been shown empirically and theoretically, that too many graph convolutions can degrade performance significantly, a phenomenon known as oversmoothing. In this paper, we provide a rigorous theoretical analysis, based on the two-class contextual stochastic block model (CSBM), of the performance of vanilla graph convolution from which we remove the principal eigenvector to avoid oversmoothing. We perform a spectral analysis for $k$ rounds of corrected graph convolutions, and we provide results for partial and exact classification. For partial classification, we show that each round of convolution can reduce the misclassification error exponentially up to a saturation level, after which performance does not worsen. We also extend this analysis to the multi-class setting with features distributed according to a Gaussian mixture model. For exact classification, we show that the separability threshold can be improved exponentially up to $O({\log{n}}/{\log\log{n}})$ corrected convolutions.
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Oja's algorithm for Streaming Principal Component Analysis (PCA) for $n$ data-points in a $d$ dimensional space achieves the same sin-squared error $O(r_{\mathsf{eff}}/n)$ as the offline algorithm in $O(d)$ space and $O(nd)$ time and a single pass through the datapoints. Here $r_{\mathsf{eff}}$ is the effective rank (ratio of the trace and the principal eigenvalue of the population covariance matrix $\Sigma$). Under this computational budget, we consider the problem of sparse PCA, where the principal eigenvector of $\Sigma$ is $s$-sparse, and $r_{\mathsf{eff}}$ can be large. In this setting, to our knowledge, *there are no known single-pass algorithms* that achieve the minimax error bound in $O(d)$ space and $O(nd)$ time without either requiring strong initialization conditions or assuming further structure (e.g., spiked) of the covariance matrix. We show that a simple single-pass procedure that thresholds the output of Oja's algorithm (the Oja vector) can achieve the minimax error bound under some regularity conditions in $O(d)$ space and $O(nd)$ time. We present a nontrivial and novel analysis of the entries of the unnormalized Oja vector, which involves the projection of a product of independent random matrices on a random initial vector. This is completely different from previous analyses of Oja's algorithm and matrix products, which have been done when the $r_{\mathsf{eff}}$ is bounded.
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Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applications, we often have access to large, expensively trained unconditional diffusion models, which we aim to exploit for improving conditional sampling. Most recent approaches are motivated heuristically and lack a unifying framework, obscuring connections between them. Further, they often suffer from issues such as being very sensitive to hyperparameters, being expensive to train or needing access to weights hidden behind a closed API. In this work, we unify conditional training and sampling using the mathematically well-understood Doob's h-transform. This new perspective allows us to unify many existing methods under a common umbrella. Under this framework, we propose DEFT (Doob's h-transform Efficient FineTuning), a new approach for conditional generation that simply fine-tunes a very small network to quickly learn the conditional $h$-transform, while keeping the larger unconditional network unchanged. DEFT is much faster than existing baselines while achieving state-of-the-art performance across a variety of linear and non-linear benchmarks. On image reconstruction tasks, we achieve speedups of up to 1.6$\times$, while having the best perceptual quality on natural images and reconstruction performance on medical images. Further, we also provide initial experiments on protein motif scaffolding and outperform reconstruction guidance methods.
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Neural network architecture design requires making many crucial decisions. The common desiderata is that similar decisions, with little modifications, can be reused in a variety of tasks and applications. To satisfy that, architectures must provide promising latency and performance trade-offs, support a variety of tasks, scale efficiently with respect to the amounts of data and compute, leverage available data from other tasks, and efficiently support various hardware. To this end, we introduce AsCAN---a hybrid architecture, combining both convolutional and transformer blocks. We revisit the key design principles of hybrid architectures and propose a simple and effective \emph{asymmetric} architecture, where the distribution of convolutional and transformer blocks is \emph{asymmetric}, containing more convolutional blocks in the earlier stages, followed by more transformer blocks in later stages. AsCAN supports a variety of tasks: recognition, segmentation, class-conditional image generation, and features a superior trade-off between performance and latency. We then scale the same architecture to solve a large-scale text-to-image task and show state-of-the-art performance compared to the most recent public and commercial models. Notably, without performing any optimization of inference time our model shows faster execution, even when compared to works that do such optimization, highlighting the advantages and the value of our approach.
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Recently, Deep Image Prior (DIP) has emerged as an effective unsupervised one-shot learner, delivering competitive results across various image recovery problems. This method only requires the noisy measurements and a forward operator, relying solely on deep networks initialized with random noise to learn and restore the structure of the data. However, DIP is notorious for its vulnerability to overfitting due to the overparameterization of the network. Building upon insights into the impact of the DIP input and drawing inspiration from the gradual denoising process in cutting-edge diffusion models, we introduce Autoencoding Sequential DIP (aSeqDIP) for image reconstruction. This method progressively denoises and reconstructs the image through a sequential optimization of network weights. This is achieved using an input-adaptive DIP objective, combined with an autoencoding regularization term. Compared to diffusion models, our method does not require training data and outperforms other DIP-based methods in mitigating noise overfitting while maintaining a similar number of parameter updates as Vanilla DIP. Through extensive experiments, we validate the effectiveness of our method in various image reconstruction tasks, such as MRI and CT reconstruction, as well as in image restoration tasks like image denoising, inpainting, and non-linear deblurring.
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Low-shot object counters estimate the number of objects in an image using few or no annotated exemplars. Objects are localized by matching them to prototypes, which are constructed by unsupervised image-wide object appearance aggregation. Due to potentially diverse object appearances, the existing approaches often lead to overgeneralization and false positive detections. Furthermore, the best-performing methods train object localization by a surrogate loss, that predicts a unit Gaussian at each object center. This loss is sensitive to annotation error, hyperparameters and does not directly optimize the detection task, leading to suboptimal counts. We introduce GeCo, a novel low-shot counter that achieves accurate object detection, segmentation, and count estimation in a unified architecture. GeCo robustly generalizes the prototypes across objects appearances through a novel dense object query formulation. In addition, a novel counting loss is proposed, that directly optimizes the detection task and avoids the issues of the standard surrogate loss. GeCo surpasses the leading few-shot detection-based counters by $\sim$25\% in the total count MAE, achieves superior detection accuracy and sets a new solid state-of-the-art result across all low-shot counting setups. The code will be available on GitHub.
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We examine the continuous-time counterpart of mirror descent, namely mirror flow, on classification problems which are linearly separable. Such problems are minimised ‘at infinity’ and have many possible solutions; we study which solution is preferred by the algorithm depending on the mirror potential. For exponential tailed losses and under mild assumptions on the potential, we show that the iterates converge in direction towards a $\phi_\infty$-maximum margin classifier. The function $\phi_\infty$ is the horizon function of the mirror potential and characterises its shape ‘at infinity’. When the potential is separable, a simple formula allows to compute this function. We analyse several examples of potentials and provide numerical experiments highlighting our results.
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Many studies have revealed that large language models (LLMs) exhibit uneven awareness of different contextual positions. Their limited context awareness can lead to overlooking critical information and subsequent task failures. While several approaches have been proposed to enhance LLMs' context awareness, achieving both effectiveness and efficiency remains challenging. In this paper, for LLMs utilizing RoPE as position embeddings, we introduce a novel method called "Mixture of In-Context Experts" (MoICE) to address this challenge. MoICE comprises two key components: a router integrated into each attention head within LLMs and a lightweight router-only training optimization strategy:(1) MoICE views each RoPE angle as an 'in-context' expert, demonstrated to be capable of directing the attention of a head to specific contextual positions. Consequently, each attention head flexibly processes tokens using multiple RoPE angles dynamically selected by the router to attend to the needed positions. This approach mitigates the risk of overlooking essential contextual information. (2) The router-only training strategy entails freezing LLM parameters and exclusively updating routers for only a few steps. When applied to open-source LLMs including Llama and Mistral, MoICE surpasses prior methods across multiple tasks on long context understanding and generation, all while maintaining commendable inference efficiency.
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Inference acceleration of large language models (LLMs) has been put forward in many application scenarios and speculative decoding has shown its advantage in addressing inference acceleration. Speculative decoding usually introduces a draft model to assist the base LLM where the draft model produces drafts and the base LLM verifies the draft for acceptance or rejection. In this framework, the final inference speed is decided by the decoding speed of the draft model and the acceptance rate of the draft provided by the draft model. Currently the widely used draft models usually generate draft tokens for the next several positions in a non-autoregressive way without considering the correlations between draft tokens. Therefore, it has a high decoding speed but an unsatisfactory acceptance rate. In this paper, we focus on how to improve the performance of the draft model and aim to accelerate inference via a high acceptance rate. To this end, we propose a CTC-based draft model which strengthens the correlations between draft tokens during the draft phase, thereby generating higher-quality draft candidate sequences. Experiment results show that compared to strong baselines, the proposed method can achieve a higher acceptance rate and hence a faster inference speed.
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Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information. Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening. % S-MolSearch processes both labeled and unlabeled data, trains molecular structural encoders, and generates soft labels for unlabeled data, drawing on the principles of inverse optimal transport. Drawing on the principles of inverse optimal transport, S-MolSearch efficiently processes both labeled and unlabeled data, training molecular structural encoders while generating soft labels for the unlabeled data. This design allows S-MolSearch to adaptively utilize unlabeled data within the learning process. Empirically, S-MolSearch demonstrates superior performance on widely-used benchmarks LIT-PCBA and DUD-E. It surpasses both structure-based and ligand-based virtual screening methods for AUROC, BEDROC and EF.
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Linear causal models are important tools for modeling causal dependencies and yet in practice, only a subset of the variables can be observed. In this paper, we examine the parameter identifiability of these models by investigating whether the edge coefficients can be recovered given the causal structure and partially observed data. Our setting is more general than that of prior research—we allow all variables, including both observed and latent ones, to be flexibly related, and we consider the coefficients of all edges, whereas most existing works focus only on the edges between observed variables. Theoretically, we identify three types of indeterminacy for the parameters in partially observed linear causal models. We then provide graphical conditions that are sufficient for all parameters to be identifiable and show that some of them are provably necessary. Methodologically, we propose a novel likelihood-based parameter estimation method that addresses the variance indeterminacy of latent variables in a specific way and can asymptotically recover the underlying parameters up to trivial indeterminacy. Empirical studies on both synthetic and real-world datasets validate our identifiability theory and the effectiveness of the proposed method in the finite-sample regime.
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Federated Learning (FL) is a prevalent machine learning paradigm designed to address challenges posed by heterogeneous client data while preserving data privacy. Unlike distributed training, it typically orchestrates resource-constrained edge devices to communicate via a low-bandwidth communication network with a central server. This urges the development of more computation and communication efficient training algorithms. In this paper, we propose an efficient FL paradigm, where the local models in the clients are trained with low-precision operations and communicated with the server in low precision format, while only the model aggregation in the server is performed with high-precision computation. We surprisingly find that high precision models can be recovered from the low precision local models with proper aggregation in the server. In this way, both the workload in the client-side and the communication cost can be significantly reduced. We theoretically show that our proposed paradigm can converge to the optimal solution as the training goes on, which demonstrates that low precision local training is enough for FL. Our paradigm can be integrated with existing FL algorithms flexibly. Experiments across extensive benchmarks are conducted to showcase the effectiveness of our proposed method. Notably, the models trained by our method with the precision as low as 8 bits are comparable to those from the full precision training. As a by-product, we show that low precision local training can relieve the over-fitting issue in local training, which under heterogeneous client data can cause the client models drift further away from each other and lead to the failure in model aggregation. Code is released at https://github.com/digbangbang/LPT-FL.
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Large Vision-Language Models (LVLMs) typically encode an image into a fixed number of visual tokens (e.g., 576) and process these tokens with a language model. Despite their strong performance, LVLMs face challenges in adapting to varying computational constraints. This raises the question: can we achieve flexibility in the number of visual tokens to suit different tasks and computational resources? We answer this with an emphatic yes. Inspired by Matryoshka Representation Learning, we introduce the Matryoshka Query Transformer (MQT), capable of encoding an image into $m$ visual tokens during inference, where $m$ can be any number up to a predefined maximum. This is achieved by employing a query transformer with $M$ latent query tokens to compress the visual embeddings. During each training step, we randomly select $m \leq M$ latent query tokens and train the model using only these first $m$ tokens, discarding the rest. Combining MQT with LLaVA, we train a single model once, and flexibly and drastically reduce the number of inference-time visual tokens while maintaining similar or better performance compared to training independent models for each number of tokens. Our model, MQT-LLaVA, matches LLaVA-1.5 performance across 11 benchmarks using a maximum of 256 tokens instead of LLaVA’s fixed 576. Reducing to 16 tokens (8x less TFLOPs) only sacrifices the performance by 2.4 points on MMBench. On certain tasks such as ScienceQA and MMMU, we can even go down to only 2 visual tokens with performance drops of just 3\% and 6\% each. Our exploration of the trade-off between the accuracy and computational cost brought about by the number of visual tokens facilitates future research to achieve the best of both worlds.
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Adam has become one of the most favored optimizers in deep learning problems. Despite its success in practice, numerous mysteries persist regarding its theoretical understanding. In this paper, we study the implicit bias of Adam in linear logistic regression. Specifically, we show that when the training data are linearly separable, the iterates of Adam converge towards a linear classifier that achieves the maximum $\ell_\infty$-margin in direction. Notably, for a general class of diminishing learning rates, this convergence occurs within polynomial time. Our result shed light on the difference between Adam and (stochastic) gradient descent from a theoretical perspective.
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We study the differentially private top-$k$ selection problem, aiming to identify a sequence of $k$ items with approximately the highest scores from $d$ items. Recent work by Gillenwater et al. (2022) employs a direct sampling approach from the vast collection of $O(d^k)$ possible length-$k$ sequences, showing superior empirical accuracy compared to previous pure or approximate differentially private methods. Their algorithm has a time and space complexity of $\tilde{O}(dk)$. In this paper, we present an improved algorithm that achieves time and space complexity of $\tilde{O}(d + k^2)$. Experimental results show that our algorithm runs orders of magnitude faster than their approach, while achieving similar empirical accuracy.
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Large language models have the ability to generate text that mimics patterns in their inputs. We introduce a simple Markov Chain sequence modeling task in order to study how this in-context learning capability emerges. In our setting, each example is sampled from a Markov chain drawn from a prior distribution over Markov chains. Transformers trained on this task form \emph{statistical induction heads} which compute accurate next-token probabilities given the bigram statistics of the context. During the course of training, models pass through multiple phases: after an initial stage in which predictions are uniform, they learn to sub-optimally predict using in-context single-token statistics (unigrams); then, there is a rapid phase transition to the correct in-context bigram solution. We conduct an empirical and theoretical investigation of this multi-phase process, showing how successful learning results from the interaction between the transformer's layers, and uncovering evidence that the presence of the simpler unigram solution may delay formation of the final bigram solution. We examine how learning is affected by varying the prior distribution over Markov chains, and consider the generalization of our in-context learning of Markov chains (ICL-MC) task to $n$-grams for $n > 2$.
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We consider the problem of model selection in a high-dimensional sparse linear regression model under privacy constraints. We propose a differentially private (DP) best subset selection method with strong statistical utility properties by adopting the well-known exponential mechanism for selecting the best model. To achieve computational expediency, we propose an efficient Metropolis-Hastings algorithm and under certain regularity conditions, we establish that it enjoys polynomial mixing time to its stationary distribution. As a result, we also establish both approximate differential privacy and statistical utility for the estimates of the mixed Metropolis-Hastings chain. Finally, we perform some illustrative experiments on simulated data showing that our algorithm can quickly identify active features under reasonable privacy budget constraints.
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Weight decay is a broadly used technique for training state-of-the-art deep networks from image classification to large language models. Despite its widespread usage and being extensively studied in the classical literature, its role remains poorly understood for deep learning. In this work, we highlight that the role of weight decay in modern deep learning is different from its regularization effect studied in classical learning theory. For deep networks on vision tasks trained with multipass SGD, we show how weight decay modifies the optimization dynamics enhancing the ever-present implicit regularization of SGD via the *loss stabilization mechanism*. In contrast, for large language models trained with nearly one-epoch training, we describe how weight decay balances the *bias-variance tradeoff* in stochastic optimization leading to lower training loss and improved training stability. Overall, we present a unifying perspective from ResNets on vision tasks to LLMs: weight decay is never useful as an explicit regularizer but instead changes the training dynamics in a desirable way.
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Recent studies on generalizable object detection have attracted increasing attention with additional weak supervision from large-scale datasets with image-level labels. However, weakly-supervised detection learning often suffers from image-to-box label mismatch, i.e., image-level labels do not convey precise object information. We design Language Hierarchical Self-training (LHST) that introduces language hierarchy into weakly-supervised detector training for learning more generalizable detectors. LHST expands the image-level labels with language hierarchy and enables co-regularization between the expanded labels and self-training. Specifically, the expanded labels regularize self-training by providing richer supervision and mitigating the image-to-box label mismatch, while self-training allows assessing and selecting the expanded labels according to the predicted reliability. In addition, we design language hierarchical prompt generation that introduces language hierarchy into prompt generation which helps bridge the vocabulary gaps between training and testing. Extensive experiments show that the proposed techniques achieve superior generalization performance consistently across 14 widely studied object detection datasets.
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Recent progress in generative models has stimulated significant innovations in many fields, such as image generation and chatbots. Despite their success, these models often produce sketchy and misleading solutions for complex multi-agent decision-making problems because they miss the trial-and-error experience and reasoning as humans. To address this limitation, we explore a paradigm that integrates a language-guided simulator into the multi-agent reinforcement learning pipeline to enhance the generated answer. The simulator is a world model that separately learns dynamics and reward, where the dynamics model comprises an image tokenizer as well as a causal transformer to generate interaction transitions autoregressively, and the reward model is a bidirectional transformer learned by maximizing the likelihood of trajectories in the expert demonstrations under language guidance. Given an image of the current state and the task description, we use the world model to train the joint policy and produce the image sequence as the answer by running the converged policy on the dynamics model. The empirical results demonstrate that this framework can improve the answers for multi-agent decision-making problems by showing superior performance on the training and unseen tasks of the StarCraft Multi-Agent Challenge benchmark. In particular, it can generate consistent interaction sequences and explainable reward functions at interaction states, opening the path for training generative models of the future.
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Recent advances in large language models have shown capabilities that are extraordinary and near-superhuman. These models operate with such complexity that reliably evaluating and aligning them proves challenging for humans. This leads to the natural question: can guidance from weak models (like humans) adequately direct the capabilities of strong models? In a recent and somewhat surprising work, Burns et al. (2023) empirically demonstrated that when strong models (like GPT-4) are finetuned using labels generated by weak supervisors (like GPT-2), the strong models outperform their weaker counterparts---a phenomenon they term *weak-to-strong generalization*. In this work, we present a theoretical framework for understanding weak-to-strong generalization. Specifically, we show that the improvement in performance achieved by strong models over their weaker counterparts is quantified by the *misfit error* incurred by the strong model on labels generated by the weaker model. Our theory reveals several curious algorithmic insights. For instance, we can predict the amount by which the strong model will improve over the weak model, and also choose among different weak models to train the strong model, based on its misfit error. We validate our theoretical findings through various empirical assessments.
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The metric $k$-center clustering problem with $z$ outliers, also known as $(k,z)$-center clustering, involves clustering a given point set $P$ in a metric space $(M,d)$ using at most $k$ balls, minimizing the maximum ball radius while excluding up to $z$ points from the clustering. This problem holds fundamental significance in various domains such as machine learning, data mining, and database systems. This paper addresses the fully dynamic version of the problem, where the point set undergoes continuous updates (insertions and deletions) over time. The objective is to maintain an approximate $(k,z)$-center clustering with efficient update times. We propose a novel fully dynamic algorithm that maintains a $(4+\epsilon)$-approximate solution to the $(k,z)$-center clustering problem that covers all but at most $(1+\epsilon)z$ points at any time in the sequence with probability $1-k/e^{\Omega(\log k)}$. The algorithm achieves an expected amortized update time of $\mathcal{O}(\epsilon^{-2} k^6\log(k) \log(\Delta))$, and is applicable to general metric spaces. Our dynamic algorithm presents a significant improvement over the recent dynamic $(14+\epsilon)$-approximation algorithm by Chan, Lattanzi, Sozio, and Wang for this problem.
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We study the price of anarchy of first-price auctions in the autobidding world, where bidders can be either utility maximizers (i.e., traditional bidders) or value maximizers (i.e., autobidders). We show that with autobidders only, the price of anarchy of first-price auctions is $1/2$, and with both kinds of bidders, the price of anarchy degrades to about $0.457$ (the precise number is given by an optimization). These results complement the recent result by [Jin and Lu, 2022] showing that the price of anarchy of first-price auctions with traditional bidders is $1 - 1/e^2$. We further investigate a setting where the seller can utilize machine-learned advice to improve the efficiency of the auctions. There, we show that as the accuracy of the advice increases, the price of anarchy improves smoothly from about $0.457$ to $1$.
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Stochastic gradient descent (SGD) is perhaps the most prevalent optimization method in modern machine learning. Contrary to the empirical practice of sampling from the datasets \emph{without replacement} and with (possible) reshuffling at each epoch, the theoretical counterpart of SGD usually relies on the assumption of \emph{sampling with replacement}. It is only very recently that SGD using sampling without replacement -- shuffled SGD -- has been analyzed with matching upper and lower bounds. However, we observe that those bounds are too pessimistic to explain often superior empirical performance of data permutations (sampling without replacement) over vanilla counterparts (sampling with replacement) on machine learning problems. Through fine-grained analysis in the lens of primal-dual cyclic coordinate methods and the introduction of novel smoothness parameters, we present several results for shuffled SGD on smooth and non-smooth convex losses, where our novel analysis framework provides tighter convergence bounds over all popular shuffling schemes (IG, SO, and RR). Notably, our new bounds predict faster convergence than existing bounds in the literature -- by up to a factor of $O(\sqrt{n})$, mirroring benefits from tighter convergence bounds using component smoothness parameters in randomized coordinate methods. Lastly, we numerically demonstrate on common machine learning datasets that our bounds are indeed much tighter, thus offering a bridge between theory and practice.
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Stochastic Gradient Descent (SGD) with adaptive steps is widely used to train deep neural networks and generative models. Most theoretical results assume that it is possible to obtain unbiased gradient estimators, which is not the case in several recent deep learning and reinforcement learning applications that use Monte Carlo methods. This paper provides a comprehensive non-asymptotic analysis of SGD with biased gradients and adaptive steps for non-convex smooth functions. Our study incorporates time-dependent bias and emphasizes the importance of controlling the bias of the gradient estimator. In particular, we establish that Adagrad, RMSProp, and AMSGRAD, an exponential moving average variant of Adam, with biased gradients, converge to critical points for smooth non-convex functions at a rate similar to existing results in the literature for the unbiased case. Finally, we provide experimental results using Variational Autoenconders (VAE) and applications to several learning frameworks that illustrate our convergence results and show how the effect of bias can be reduced by appropriate hyperparameter tuning.
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It is widely acknowledged that large language models (LLMs) encode a vast reservoir of knowledge after being trained on mass data. Recent studies disclose knowledge conflicts in LLM generation, wherein outdated or incorrect parametric knowledge (i.e., encoded knowledge) contradicts new knowledge provided in the context. To mitigate such knowledge conflicts, we propose a novel framework, IRCAN (Identifying and Reweighting Context-Aware Neurons) to capitalize on neurons that are crucial in processing contextual cues. Specifically, IRCAN first identifies neurons that significantly contribute to context processing, utilizing a context-aware attribution score derived from integrated gradients. Subsequently, the identified context-aware neurons are strengthened via reweighting. In doing so, we steer LLMs to generate context-sensitive outputs with respect to the new knowledge provided in the context. Extensive experiments conducted across a variety of models and tasks demonstrate that IRCAN not only achieves remarkable improvements in handling knowledge conflicts but also offers a scalable, plug-and-play solution that can be integrated seamlessly with existing models. Our codes are released at https://github.com/danshi777/IRCAN.
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In the realm of big data and digital healthcare, Electronic Health Records (EHR) have become a rich source of information with the potential to improve patient care and medical research. In recent years, machine learning models have proliferated for analyzing EHR data to predict patients' future health conditions. Among them, some studies advocate for multi-task learning (MTL) to jointly predict multiple target diseases for improving the prediction performance over single task learning. Nevertheless, current MTL frameworks for EHR data have significant limitations due to their heavy reliance on human experts to identify task groups for joint training and design model architectures. To reduce human intervention and improve the framework design, we propose an automated approach named AutoDP, which can search for the optimal configuration of task grouping and architectures simultaneously. To tackle the vast joint search space encompassing task combinations and architectures, we employ surrogate model-based optimization, enabling us to efficiently discover the optimal solution. Experimental results on real-world EHR data demonstrate the efficacy of the proposed AutoDP framework. It achieves significant performance improvements over both hand-crafted and automated state-of-the-art methods, also maintains a feasible search cost at the same time.
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Offline reinforcement learning (RL) aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively "bootstrapping from the void." This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Since world models will inevitably improve, we believe this is a key step towards future-proofing offline RL.
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In Natural Language Processing (NLP), the Elo rating system, originally designed for ranking players in dynamic games such as chess, is increasingly being used to evaluate Large Language Models (LLMs) through "A vs B" paired comparisons. However, while popular, the system's suitability for assessing entities with constant skill levels, such as LLMs, remains relatively unexplored. We study two fundamental axioms that evaluation methods should adhere to: reliability and transitivity. We conduct an extensive evaluation of Elo behavior across simulated and real-world scenarios, demonstrating that individual Elo computations can exhibit significant volatility. We show that both axioms are not always satisfied, raising questions about the reliability of current comparative evaluations of LLMs. If the current use of Elo scores is intended to substitute the costly head-to-head comparison of LLMs, it is crucial to ensure the ranking is as robust as possible. Guided by the axioms, our findings offer concrete guidelines for enhancing the reliability of LLM evaluation methods, suggesting a need for reassessment of existing comparative approaches.
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Uncertainty is introduced in optimized DNNs through stochastic algorithms, forming specific distributions. Training models can be seen as random sampling from this distribution of optimized models. In this work, we study the distribution of optimized DNNs as a family of functions by leveraging a pointwise approach. We focus on the input saliency maps, as the input gradient field is decisive to the models' mathematical essence. Our investigation of saliency maps reveals a counter-intuitive trend: two stochastically optimized models tend to resemble each other more as either of their capacities increases. Therefore, we hypothesize several properties of these distributions, suggesting that (1) Within the same model architecture (e.g., CNNs, ResNets), different family variants (e.g., varying capacities) tend to align in terms of their population mean directions of the input salience. And (2) the distributions of optimized models follow a convergence trend to their shared population mean as the capacity increases. Furthermore, we also propose semi-parametric distributions based on the Saw distribution to model the convergence trend, satisfying all the counter-intuitive observations. Our experiments shed light on the significant implications of our hypotheses in various application domains, including black-box attacks, deep ensembles, etc. These findings not only enhance our understanding of DNN behaviors but also offer valuable insights for their practical application in diverse areas of deep learning.
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Optimizing complex and high-dimensional black-box functions is ubiquitous in science and engineering fields. Unfortunately, the online evaluation of these functions is restricted due to time and safety constraints in most cases. In offline model-based optimization (MBO), we aim to find a design that maximizes the target function using only a pre-existing offline dataset. While prior methods consider forward or inverse approaches to address the problem, these approaches are limited by conservatism and the difficulty of learning highly multi-modal mappings. Recently, there has been an emerging paradigm of learning to improve solutions with synthetic trajectories constructed from the offline dataset. In this paper, we introduce a novel conditional generative modeling approach to produce trajectories toward high-scoring regions. First, we construct synthetic trajectories toward high-scoring regions using the dataset while injecting locality bias for consistent improvement directions. Then, we train a conditional diffusion model to generate trajectories conditioned on their scores. Lastly, we sample multiple trajectories from the trained model with guidance to explore high-scoring regions beyond the dataset and select high-fidelity designs among generated trajectories with the proxy function. Extensive experiment results demonstrate that our method outperforms competitive baselines on Design-Bench and its practical variants. The code is publicly available in \url{https://github.com/dbsxodud-11/GTG}.
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The deep equilibrium model (DEQ) generalizes the conventional feedforward neural network by fixing the same weights for each layer block and extending the number of layers to infinity. This novel model directly finds the fixed points of such a forward process as features for prediction. Despite empirical evidence showcasing its efficacy compared to feedforward neural networks, a theoretical understanding for its separation and bias is still limited. In this paper, we take a step by proposing some separations and studying the bias of DEQ in its expressive power and learning dynamics. The results include: (1) A general separation is proposed, showing the existence of a width-$m$ DEQ that any fully connected neural networks (FNNs) with depth $O(m^{\alpha})$ for $\alpha \in (0,1)$ cannot approximate unless its width is sub-exponential in $m$; (2) DEQ with polynomially bounded size and magnitude can efficiently approximate certain steep functions (which has very large derivatives) in $L^{\infty}$ norm, whereas FNN with bounded depth and exponentially bounded width cannot unless its weights magnitudes are exponentially large; (3) The implicit regularization caused by gradient flow from a diagonal linear DEQ is characterized, with specific examples showing the benefits brought by such regularization. From the overall study, a high-level conjecture from our analysis and empirical validations is that DEQ has potential advantages in learning certain high-frequency components.
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Machine learning systems often acquire biases by leveraging undesired features in the data, impacting accuracy variably across different sub-populations of the data. However, our current understanding of bias formation mostly focuses on the initial and final stages of learning, leaving a gap in knowledge regarding the transient dynamics. To address this gap, this paper explores the evolution of bias in a teacher-student setup that models different data sub-populations with a Gaussian-mixture model. We provide an analytical description of the stochastic gradient descent dynamics of a linear classifier in this setup, which we prove to be exact in high dimension. Notably, our analysis identifies different properties of the sub-populations that drive bias at different timescales and hence shows a shifting preference of our classifier during training. By applying our general solution to fairness and robustness, we delineate how and when heterogeneous data and spurious features can generate and amplify bias. We empirically validate our results in more complex scenarios by training deeper networks on synthetic and real data, i.e. using CIFAR10, MNIST, and CelebA datasets.
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Offline Reinforcement Learning (Offline RL) presents challenges of learning effective decision-making policies from static datasets without any online interactions. Data augmentation techniques, such as noise injection and data synthesizing, aim to improve Q-function approximation by smoothing the learned state-action region. However, these methods often fall short of directly improving the quality of offline datasets, leading to suboptimal results. In response, we introduce GTA, Generative Trajectory Augmentation, a novel generative data augmentation approach designed to enrich offline data by augmenting trajectories to be both high-rewarding and dynamically plausible. GTA applies a diffusion model within the data augmentation framework. GTA partially noises original trajectories and then denoises them with classifier-free guidance via conditioning on amplified return value. Our results show that GTA, as a general data augmentation strategy, enhances the performance of widely used offline RL algorithms across various tasks with unique challenges. Furthermore, we conduct a quality analysis of data augmented by GTA and demonstrate that GTA improves the quality of the data. Our code is available at https://github.com/Jaewoopudding/GTA
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Seams, distortions, wasted UV space, vertex-duplication, and varying resolution over the surface are the most prominent issues of the standard UV-based texturing of meshes. These issues are particularly acute when automatic UV-unwrapping techniques are used. For this reason, instead of generating textures in automatically generated UV-planes like most state-of-the-art methods, we propose to represent textures as coloured point-clouds whose colours are generated by a denoising diffusion probabilistic model constrained to operate on the surface of 3D objects. Our sampling and resolution agnostic generative model heavily relies on heat diffusion over the surface of the meshes for spatial communication between points. To enable processing of arbitrarily sampled point-cloud textures and ensure long-distance texture consistency we introduce a fast re-sampling of the mesh spectral properties used during the heat diffusion and introduce a novel heat-diffusion-based self-attention mechanism. Our code and pre-trained models are available at github.com/simofoti/UV3-TeD.
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We study the embedding dimension of distance comparison data in two settings: contrastive learning and $k$-nearest neighbors ($k$-NN). In both cases, the goal is to find the smallest dimension $d$ of an $\ell_p$-space in which a given dataset can be represented. We show that the arboricity of the associated graphs plays a key role in designing embeddings. Using this approach, for the most frequently used $\ell_2$-distance, we get matching upper and lower bounds in both settings. In contrastive learning, we are given $m$ labeled samples of the form $(x_i, y_i^+, z_i^-)$ representing the fact that the positive example $y_i$ is closer to the anchor $x_i$ than the negative example $z_i$. We show that for representing such dataset in: - $\ell_2$: $d = \Theta(\sqrt{m})$ is necessary and sufficient. - $\ell_p$ for $p \ge 1$: $d = O(m)$ is sufficient and $d = \tilde \Omega(\sqrt{m})$ is necessary. - $\ell_\infty$: $d = O(m^{2/3})$ is sufficient and $d = \tilde \Omega(\sqrt{m})$ is necessary. We also give results for the more general scenario when $t$ negatives are allowed. In $k$-NN, for each of the $n$ data points we are given an ordered set of the closest $k$ points. We show that for preserving the ordering of the $k$-NN for every point in: - $\ell_2$: $d = \Theta(k)$ is necessary and sufficient. - $\ell_p$ for $p \ge 1$: $d = \tilde O(k^2)$ is sufficient and $d=\tilde \Omega(k)$ is necessary. - $\ell_\infty$ : $d = \tilde \Omega(k)$ is necessary. Furthermore, if the goal is to not just preserve the ordering of the $k$-NN but also keep them as the nearest neighbors then $d = \tilde O (\mathrm{poly}(k))$ suffices in $\ell_p$ for $p \ge 1$.
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We study how to perform unlearning, i.e. forgetting undesirable (mis)behaviors, on large language models (LLMs). We show at least three scenarios of aligning LLMs with human preferences can benefit from unlearning: (1) removing harmful responses, (2) erasing copyright-protected content as requested, and (3) reducing hallucinations. Unlearning, as an alignment technique, has three advantages. (1) It only requires negative (e.g. harmful) examples, which are much easier and cheaper to collect (e.g. via red teaming or user reporting) than positive (e.g. helpful and often human-written) examples required in the standard alignment process. (2) It is computationally efficient. (3) It is especially effective when we know which training samples cause the misbehavior. To the best of our knowledge, our work is among the first to explore LLM unlearning. We are also among the first to formulate the settings, goals, and evaluations in LLM unlearning. Despite only having negative samples, our ablation study shows that unlearning can still achieve better alignment performance than RLHF with just 2% of its computational time.
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We introduce a machine learning approach to model checking temporal logic, with application to formal hardware verification. Model checking answers the question of whether every execution of a given system satisfies a desired temporal logic specification. Unlike testing, model checking provides formal guarantees. Its application is expected standard in silicon design and the EDA industry has invested decades into the development of performant symbolic model checking algorithms. Our new approach combines machine learning and symbolic reasoning by using neural networks as formal proof certificates for linear temporal logic. We train our neural certificates from randomly generated executions of the system and we then symbolically check their validity using satisfiability solving which, upon the affirmative answer, establishes that the system provably satisfies the specification. We leverage the expressive power of neural networks to represent proof certificates as well as the fact that checking a certificate is much simpler than finding one. As a result, our machine learning procedure for model checking is entirely unsupervised, formally sound, and practically effective. We experimentally demonstrate that our method outperforms the state-of-the-art academic and commercial model checkers on a set of standard hardware designs written in SystemVerilog.
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Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit ($\mu$P and its depth extension), then some hyperparameters --- such as the learning rate --- exhibit transfer from small to very large models. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is consistently similar across very different model sizes. In this work, we study the landscape through the lens of the Hessian, with a focus on its largest eigenvalue (i.e. the sharpness), and find that certain spectral properties under $\mu$P are largely independent of the width and depth of the network along the training trajectory. We name this property *super consistency* of the landscape. On the other hand, we show that in the Neural Tangent Kernel (NTK) and other scaling regimes, the sharpness exhibits very different dynamics at different scales. But what causes these differences in the sharpness dynamics? Through a connection between the Hessian's and the NTK's spectrum, we argue that the cause lies in the presence (for $\mu$P) or progressive absence (for the NTK scaling) of feature learning. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText.
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We give an algorithm for Centroid-Linkage Hierarchical Agglomerative Clustering (HAC), which computes a $c$-approximate clustering in roughly $n^{1+O(1/c^2)}$ time. We obtain our result by combining a new centroid-linkage HAC algorithm with a novel fully dynamic data structure for nearest neighbor search which works under adaptive updates. We also evaluate our algorithm empirically. By leveraging a state-of-the-art nearest-neighbor search library, we obtain a fast and accurate centroid-linkage HAC algorithm. Compared to an existing state-of-the-art exact baseline, our implementation maintains the clustering quality while delivering up to a $36\times$ speedup due to performing fewer distance comparisons.
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Machine learning models can often fail on subgroups that are underrepresented during training. While dataset balancing can improve performance on underperforming groups, it requires access to training group annotations and can end up removing large portions of the dataset. In this paper, we introduce Data Debiasing with Datamodels (D3M), a debiasing approach which isolates and removes specific training examples that drive the model's failures on minority groups. Our approach enables us to efficiently train debiased classifiers while removing only a small number of examples, and does not require training group annotations or additional hyperparameter tuning.
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Spike Timing-Dependent Plasticity (STDP) is a promising substitute to backpropagation for local training of Spiking Neural Networks (SNNs) on neuromorphic hardware. STDP allows SNNs to address classification tasks by combining unsupervised STDP for feature extraction and supervised STDP for classification. Unsupervised STDP is usually employed with Winner-Takes-All (WTA) competition to learn distinct patterns. However, WTA for supervised STDP classification faces unbalanced competition challenges. In this paper, we propose a method to effectively implement WTA competition in a spiking classification layer employing first-spike coding and supervised STDP training. We introduce the Neuronal Competition Group (NCG), an architecture that improves classification capabilities by promoting the learning of various patterns per class. An NCG is a group of neurons mapped to a specific class, implementing intra-class WTA and a novel competition regulation mechanism based on two-compartment thresholds. We incorporate our proposed architecture into spiking classification layers trained with state-of-the-art supervised STDP rules. On top of two different unsupervised feature extractors, we obtain significant accuracy improvements on image recognition datasets such as CIFAR-10 and CIFAR-100. We show that our competition regulation mechanism is crucial for ensuring balanced competition and improved class separation.
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Most real-world datasets consist of a natural hierarchy between classes or an inherent label structure that is either already available or can be constructed cheaply. However, most existing representation learning methods ignore this hierarchy, treating labels as permutation invariant. Recent work [Zeng et al., 2022] proposes using this structured information explicitly, but the use of Euclidean distance may distort the underlying semantic context [Chen et al., 2013]. In this work, motivated by the advantage of hyperbolic spaces in modeling hierarchical relationships, we propose a novel approach HypStructure: a Hyperbolic Structured regularization approach to accurately embed the label hierarchy into the learned representations. HypStructure is a simple-yet-effective regularizer that consists of a hyperbolic tree-based representation loss along with a centering loss, and can be combined with any standard task loss to learn hierarchy-informed features. Extensive experiments on several large-scale vision benchmarks demonstrate the efficacy of HypStructure in reducing distortion and boosting generalization performance especially under low dimensional scenarios. For a better understanding of structured representation, we perform eigenvalue analysis that links the representation geometry to improved Out-of-Distribution (OOD) detection performance seen empirically.
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We introduce a mathematically rigorous framework based on rough path theory to model stochastic spiking neural networks (SSNNs) as stochastic differential equations with event discontinuities (Event SDEs) and driven by càdlàg rough paths. Our formalism is general enough to allow for potential jumps to be present both in the solution trajectories as well as in the driving noise. We then identify a set of sufficient conditions ensuring the existence of pathwise gradients of solution trajectories and event times with respect to the network's parameters and show how these gradients satisfy a recursive relation. Furthermore, we introduce a general-purpose loss function defined by means of a new class of signature kernels indexed on càdlàg rough paths and use it to train SSNNs as generative models. We provide an end-to-end autodifferentiable solver for Event SDEs and make its implementation available as part of the $\texttt{diffrax}$ library. Our framework is, to our knowledge, the first enabling gradient-based training of SSNNs with noise affecting both the spike timing and the network's dynamics.
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In this paper, we study a class of non-smooth non-convex problems in the form of $\min_{x}[\max_{y\in\mathcal Y}\phi(x, y) - \max_{z\in\mathcal Z}\psi(x, z)]$, where both $\Phi(x) = \max_{y\in\mathcal Y}\phi(x, y)$ and $\Psi(x)=\max_{z\in\mathcal Z}\psi(x, z)$ are weakly convex functions, and $\phi(x, y), \psi(x, z)$ are strongly concave functions in terms of $y$ and $z$, respectively. It covers two families of problems that have been studied but are missing single-loop stochastic algorithms, i.e., difference of weakly convex functions and weakly convex strongly-concave min-max problems. We propose a stochastic Moreau envelope approximate gradient method dubbed SMAG, the first single-loop algorithm for solving these problems, and provide a state-of-the-art non-asymptotic convergence rate. The key idea of the design is to compute an approximate gradient of the Moreau envelopes of $\Phi, \Psi$ using only one step of stochastic gradient update of the primal and dual variables. Empirically, we conduct experiments on positive-unlabeled (PU) learning and partial area under ROC curve (pAUC) optimization with an adversarial fairness regularizer to validate the effectiveness of our proposed algorithms.
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We focus on developing a theoretical understanding of meta-learning. Given multiple tasks drawn i.i.d. from some (unknown) task distribution, the goal is to find a good pre-trained model that can be adapted to a new, previously unseen, task with little computational and statistical overhead. We introduce a novel notion of stability for meta-learning algorithms, namely *uniform meta-stability*. We instantiate two uniformly meta-stable learning algorithms based on regularized empirical risk minimization and gradient descent and give explicit generalization bounds for convex learning problems with smooth losses and for weakly convex learning problems with non-smooth losses. Finally, we extend our results to stochastic and adversarially robust variants of our meta-learning algorithm.
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Dynamic scenes rendering is an intriguing yet challenging problem. Although current methods based on NeRF have achieved satisfactory performance, they still can not reach real-time levels. Recently, 3D Gaussian Splatting (3DGS) has garnered researchers' attention due to their outstanding rendering quality and real-time speed. Therefore, a new paradigm has been proposed: defining a canonical 3D gaussians and deforming it to individual frames in deformable fields. However, since the coordinates of canonical 3D gaussians are filled with noise, which can transfer noise into the deformable fields, and there is currently no method that adequately considers the aggregation of 4D information. Therefore, we propose Denoised Deformable Network with Temporal-Spatial Aggregation for Dynamic Scene Rendering (DN-4DGS). Specifically, a Noise Suppression Strategy is introduced to change the distribution of the coordinates of the canonical 3D gaussians and suppress noise. Additionally, a Decoupled Temporal-Spatial Aggregation Module is designed to aggregate information from adjacent points and frames. Extensive experiments on various real-world datasets demonstrate that our method achieves state-of-the-art rendering quality under a real-time level. Code is available at https://github.com/peoplelu/DN-4DGS.
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We study the geometry of conditional optimal transport (COT) and prove a dynamic formulation which generalizes the Benamou-Brenier Theorem. Equipped with these tools, we propose a simulation-free flow-based method for conditional generative modeling. Our method couples an arbitrary source distribution to a specified target distribution through a triangular COT plan, and a conditional generative model is obtained by approximating the geodesic path of measures induced by this COT plan. Our theory and methods are applicable in infinite-dimensional settings, making them well suited for a wide class of Bayesian inverse problems. Empirically, we demonstrate that our method is competitive on several challenging conditional generation tasks, including an infinite-dimensional inverse problem.
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Semi-supervised continual learning (SSCL) has attracted significant attention for addressing catastrophic forgetting in semi-supervised data. Knowledge distillation, which leverages data representation and pair-wise similarity, has shown significant potential in preserving information in SSCL. However, traditional distillation strategies often fail in unlabeled data with inaccurate or noisy information, limiting their efficiency in feature spaces undergoing substantial changes during continual learning. To address these limitations, we propose Persistence Homology Distillation (PsHD) to preserve intrinsic structural information that is insensitive to noise in semi-supervised continual learning. First, we capture the structural features using persistence homology by homological evolution across different scales in vision data, where the multi-scale characteristic established its stability under noise interference. Next, we propose a persistence homology distillation loss in SSCL and design an acceleration algorithm to reduce the computational cost of persistence homology in our module. Furthermore, we demonstrate the superior stability of PsHD compared to sample representation and pair-wise similarity distillation methods theoretically and experimentally. Finally, experimental results on three widely used datasets validate that the new PsHD outperforms state-of-the-art with 3.9% improvements on average, and also achieves 1.5% improvements while reducing 60% memory buffer size, highlighting the potential of utilizing unlabeled data in SSCL. Our code is available: https://github.com/fanyan0411/PsHD.
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Recent advancements utilizing large-scale video data for learning video generation models demonstrate significant potential in understanding complex physical dynamics. It suggests the feasibility of leveraging diverse robot trajectory data to develop a unified, dynamics-aware model to enhance robot manipulation. However, given the relatively small amount of available robot data, directly fitting data without considering the relationship between visual observations and actions could lead to suboptimal data utilization. To this end, we propose \textbf{VidMan} (\textbf{Vid}eo Diffusion for Robot \textbf{Man}ipulation), a novel framework that employs a two-stage training mechanism inspired by dual-process theory from neuroscience to enhance stability and improve data utilization efficiency. Specifically, in the first stage, VidMan is pre-trained on the Open X-Embodiment dataset (OXE) for predicting future visual trajectories in a video denoising diffusion manner, enabling the model to develop a long horizontal awareness of the environment's dynamics. In the second stage, a flexible yet effective layer-wise self-attention adapter is introduced to transform VidMan into an efficient inverse dynamics model that predicts action modulated by the implicit dynamics knowledge via parameter sharing. Our VidMan framework outperforms state-of-the-art baseline model GR-1 on the CALVIN benchmark, achieving a 11.7\% relative improvement, and demonstrates over 9\% precision gains on the OXE small-scale dataset. These results provide compelling evidence that world models can significantly enhance the precision of robot action prediction. Codes and models will be public.
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As illustrated by the success of integer linear programming, linear integer arithmetics is a powerful tool for modelling combinatorial problems. Furthermore, the probabilistic extension of linear programming has been used to formulate problems in neurosymbolic AI. However, two key problems persist that prevent the adoption of neurosymbolic techniques beyond toy problems. First, probabilistic inference is inherently hard, #P-hard to be precise. Second, the discrete nature of integers renders the construction of meaningful gradients challenging, which is problematic for learning. In order to mitigate these issues, we formulate linear arithmetics over integer-valued random variables as tensor manipulations that can be implemented in a straightforward fashion using modern deep learning libraries. At the core of our formulation lies the observation that the addition of two integer-valued random variables can be performed by adapting the fast Fourier transform to probabilities in the log-domain. By relying on tensor operations we obtain a differentiable data structure, which unlocks, virtually for free, gradient-based learning. In our experimental validation we show that tensorising probabilistic integer linear arithmetics and leveraging the fast Fourier transform allows us to push the state of the art by several orders of magnitude in terms of inference and learning times.
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In this paper, we question if well pre-trained vision transformer (ViT) models could be used as teachers that exhibit scalable properties to advance cross architecture knowledge distillation research, in the context of adopting mainstream large-scale visual recognition datasets for evaluation. To make this possible, our analysis underlines the importance of seeking effective strategies to align (1) feature computing paradigm differences, (2) model scale differences, and (3) knowledge density differences. By combining three closely coupled components namely *cross attention projector*, *dual-view feature mimicking* and *teacher parameter perception* tailored to address the alignment problems stated above, we present a simple and effective knowledge distillation method, called *ScaleKD*. Our method can train student backbones that span across a variety of convolutional neural network (CNN), multi-layer perceptron (MLP), and ViT architectures on image classification datasets, achieving state-of-the-art knowledge distillation performance. For instance, taking a well pre-trained Swin-L as the teacher model, our method gets 75.15\%|82.03\%|84.16\%|78.63\%|81.96\%|83.93\%|83.80\%|85.53\% top-1 accuracies for MobileNet-V1|ResNet-50|ConvNeXt-T|Mixer-S/16|Mixer-B/16|ViT-S/16|Swin-T|ViT-B/16 models trained on ImageNet-1K dataset from scratch, showing 3.05\%|3.39\%|2.02\%|4.61\%|5.52\%|4.03\%|2.62\%|3.73\% absolute gains to the individually trained counterparts. Intriguingly, when scaling up the size of teacher models or their pre-training datasets, our method showcases the desired scalable properties, bringing increasingly larger gains to student models. We also empirically show that the student backbones trained by our method transfer well on downstream MS-COCO and ADE20K datasets. More importantly, our method could be used as a more efficient alternative to the time-intensive pre-training paradigm for any target student model on large-scale datasets if a strong pre-trained ViT is available, reducing the amount of viewed training samples up to 195$\times$. The code is available at *https://github.com/deep-optimization/ScaleKD*.
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The recent emergence of powerful Vision-Language models (VLMs) has significantly improved image captioning. Some of these models are extended to caption videos as well. However, their capabilities to understand complex scenes are limited, and the descriptions they provide for scenes tend to be overly verbose and focused on the superficial appearance of objects. Scene descriptions, especially in movies, require a deeper contextual understanding, unlike general-purpose video captioning. To address this challenge, we propose a model, CALVIN, a specialized video LLM that leverages previous movie context to generate fully "contextual" scene descriptions. To achieve this, we train our model on a suite of tasks that integrate both image-based question-answering and video captioning within a unified framework, before applying instruction tuning to refine the model's ability to provide scene captions. Lastly, we observe that our model responds well to prompt engineering and few-shot in-context learning techniques, enabling the user to adapt it to any new movie with very little additional annotation.
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Machine Learning and AI have the potential to transform data-driven scientific discovery, enabling accurate predictions for several scientific phenomena. As many scientific questions are inherently causal, this paper looks at the causal inference task of treatment effect estimation, where the outcome of interest is recorded in high-dimensional observations in a Randomized Controlled Trial (RCT). Despite being the simplest possible causal setting and a perfect fit for deep learning, we theoretically find that many common choices in the literature may lead to biased estimates. To test the practical impact of these considerations, we recorded ISTAnt, the first real-world benchmark for causal inference downstream tasks on high-dimensional observations as an RCT studying how garden ants (Lasius neglectus) respond to microparticles applied onto their colony members by hygienic grooming. Comparing 6 480 models fine-tuned from state-of-the-art visual backbones, we find that the sampling and modeling choices significantly affect the accuracy of the causal estimate, and that classification accuracy is not a proxy thereof. We further validated the analysis, repeating it on a synthetically generated visual data set controlling the causal model. Our results suggest that future benchmarks should carefully consider real downstream scientific questions, especially causal ones. Further, we highlight guidelines for representation learning methods to help answer causal questions in the sciences.
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Sparsity is a central aspect of interpretability in machine learning. Typically, sparsity is measured in terms of the size of a model globally, such as the number of variables it uses. However, this notion of sparsity is not particularly relevant for decision making; someone subjected to a decision does not care about variables that do not contribute to the decision. In this work, we dramatically expand a notion of *decision sparsity* called the *Sparse Explanation Value* (SEV) so that its explanations are more meaningful. SEV considers movement along a hypercube towards a reference point. By allowing flexibility in that reference and by considering how distances along the hypercube translate to distances in feature space, we can derive sparser and more meaningful explanations for various types of function classes. We present cluster-based SEV and its variant tree-based SEV, introduce a method that improves credibility of explanations, and propose algorithms that optimize decision sparsity in machine learning models.
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We introduce Poseidon, a foundation model for learning the solution operators of PDEs. It is based on a multiscale operator transformer, with time-conditioned layer norms that enable continuous-in-time evaluations. A novel training strategy leveraging the semi-group property of time-dependent PDEs to allow for significant scaling-up of the training data is also proposed. Poseidon is pretrained on a diverse, large scale dataset for the governing equations of fluid dynamics. It is then evaluated on a suite of 15 challenging downstream tasks that include a wide variety of PDE types and operators. We show that Poseidon exhibits excellent performance across the board by outperforming baselines significantly, both in terms of sample efficiency and accuracy. Poseidon also generalizes very well to new physics that is not seen during pretraining. Moreover, Poseidon scales with respect to model and data size, both for pretraining and for downstream tasks. Taken together, our results showcase the surprising ability of Poseidon to learn effective representations from a very small set of PDEs during pretraining in order to generalize well to unseen and unrelated PDEs downstream, demonstrating its potential as an effective, general purpose PDE foundation model. Finally, the Poseidon model as well as underlying pretraining and downstream datasets are open sourced, with code being available at https://github.com/camlab-ethz/poseidon and pretrained models and datasets at https://huggingface.co/camlab-ethz.
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Zero-shot (ZS) 3D anomaly detection is a crucial yet unexplored field that addresses scenarios where target 3D training samples are unavailable due to practical concerns like privacy protection. This paper introduces PointAD, a novel approach that transfers the strong generalization capabilities of CLIP for recognizing 3D anomalies on unseen objects. PointAD provides a unified framework to comprehend 3D anomalies from both points and pixels. In this framework, PointAD renders 3D anomalies into multiple 2D renderings and projects them back into 3D space. To capture the generic anomaly semantics into PointAD, we propose hybrid representation learning that optimizes the learnable text prompts from 3D and 2D through auxiliary point clouds. The collaboration optimization between point and pixel representations jointly facilitates our model to grasp underlying 3D anomaly patterns, contributing to detecting and segmenting anomalies of unseen diverse 3D objects. Through the alignment of 3D and 2D space, our model can directly integrate RGB information, further enhancing the understanding of 3D anomalies in a plug-and-play manner. Extensive experiments show the superiority of PointAD in ZS 3D anomaly detection across diverse unseen objects.
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Atmospheric turbulence, caused by random fluctuations in the atmosphere's refractive index, introduces complex spatio-temporal distortions in imagery captured at long range. Video Atmospheric Turbulence Mitigation (ATM) aims to restore videos affected by these distortions. However, existing video ATM methods, both supervised and self-supervised, struggle to maintain temporally consistent mitigation across frames, leading to visually incoherent results. This limitation arises from the stochastic nature of atmospheric turbulence, which varies across space and time. Inspired by the observation that atmospheric turbulence induces high-frequency temporal variations, we propose ConVRT, a novel framework for consistent video restoration through turbulence. ConVRT introduces a neural video representation that explicitly decouples spatial and temporal information into a spatial content field and a temporal deformation field, enabling targeted regularization of the network's temporal representation capability. By leveraging the low-pass filtering properties of the regularized temporal representations, ConVRT effectively mitigates turbulence-induced temporal frequency variations and promotes temporal consistency. Furthermore, our training framework seamlessly integrates supervised pre-training on synthetic turbulence data with self-supervised learning on real-world videos, significantly improving the temporally consistent mitigation of ATM methods on diverse real-world data. More information can be found on our project page: https://convrt-2024.github.io/
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We study the problem of learning a single neuron with respect to the $L_2^2$-loss in the presence of adversarial distribution shifts, where the labels can be arbitrary, and the goal is to find a "best-fit" function. More precisely, given training samples from a reference distribution $p_0$, the goal is to approximate the vector $\mathbf{w}^*$ which minimizes the squared loss with respect to the worst-case distribution that is close in $\chi^2$-divergence to $p_{0}$. We design a computationally efficient algorithm that recovers a vector $ \hat{\mathbf{w}}$ satisfying $\mathbb{E}\_{p^*} (\sigma(\hat{\mathbf{w}} \cdot \mathbf{x}) - y)^2 \leq C \hspace{0.2em} \mathbb{E}\_{p^*} (\sigma(\mathbf{w}^* \cdot \mathbf{x}) - y)^2 + \epsilon$, where $C>1$ is a dimension-independent constant and $(\mathbf{w}^*, p^*)$ is the witness attaining the min-max risk $\min_{\mathbf{w}:\|\mathbf{w}\| \leq W} \max\_{p} \mathbb{E}\_{(\mathbf{x}, y) \sim p} (\sigma(\mathbf{w} \cdot \mathbf{x}) - y)^2 - \nu \chi^2(p, p_0)$. Our algorithm follows the primal-dual framework and is designed by directly bounding the risk with respect to the original, nonconvex $L_2^2$ loss. From an optimization standpoint, our work opens new avenues for the design of primal-dual algorithms under structured nonconvexity.
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We study the preference-based pure exploration problem for bandits with vector-valued rewards and a set of preferences imposed over them. Specifically, we aim to identify the most preferred policy over a set of arms according to the preferences induced on the reward vectors by an ordering cone $C$. First, to quantify the impact of preferences, we derive a novel lower bound on the sample complexity for identifying the most preferred arm with confidence level $1-\delta$. Our lower bound shows that how the geometry of the preferences and reward vectors changes the hardness of this problem. We further explicate this geometry for Gaussian distributions of rewards, and provide a convex reformulation of the lower bound solvable with linear programming. Then, we leverage this convex reformulation of the lower bound to design the Track and Stop with Preferences (TSwP) algorithm that identifies the most preferred policy. Finally, we derive a new concentration result for vector-valued rewards, and show that TSwP achieves a matching sample complexity upper bound.
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Evaluating alignment between humans and neural network representations in image-based learning tasks
Humans represent scenes and objects in rich feature spaces, carrying information that allows us to generalise about category memberships and abstract functions with few examples. What determines whether a neural network model generalises like a human? We tested how well the representations of $86$ pretrained neural network models mapped to human learning trajectories across two tasks where humans had to learn continuous relationships and categories of natural images. In these tasks, both human participants and neural networks successfully identified the relevant stimulus features within a few trials, demonstrating effective generalisation. We found that while training dataset size was a core determinant of alignment with human choices, contrastive training with multi-modal data (text and imagery) was a common feature of currently publicly available models that predicted human generalisation. Intrinsic dimensionality of representations had different effects on alignment for different model types. Lastly, we tested three sets of human-aligned representations and found no consistent improvements in predictive accuracy compared to the baselines. In conclusion, pretrained neural networks can serve to extract representations for cognitive models, as they appear to capture some fundamental aspects of cognition that are transferable across tasks. Both our paradigms and modelling approach offer a novel way to quantify alignment between neural networks and humans and extend cognitive science into more naturalistic domains.
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We provide the first useful and rigorous analysis of ensemble sampling for the stochastic linear bandit setting. In particular, we show that, under standard assumptions, for a $d$-dimensional stochastic linear bandit with an interaction horizon $T$, ensemble sampling with an ensemble of size of order $\smash{d \log T}$ incurs regret at most of the order $\smash{(d \log T)^{5/2} \sqrt{T}}$. Ours is the first result in any structured setting not to require the size of the ensemble to scale linearly with $T$---which defeats the purpose of ensemble sampling---while obtaining near $\smash{\sqrt{T}}$ order regret. Our result is also the first to allow for infinite action sets.
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Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs). However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions, and we pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging a similarity-based method that learns in-context examples, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models. We provide our code at https://github.com/delta-lab-ai/data_efficient_nopt.
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While image-to-text models have demonstrated significant advancements in various vision-language tasks, they remain susceptible to adversarial attacks. Existing white-box attacks on image-to-text models require access to the architecture, gradients, and parameters of the target model, resulting in low practicality. Although the recently proposed gray-box attacks have improved practicality, they suffer from semantic loss during the training process, which limits their targeted attack performance. To advance adversarial attacks of image-to-text models, this paper focuses on a challenging scenario: decision-based black-box targeted attacks where the attackers only have access to the final output text and aim to perform targeted attacks. Specifically, we formulate the decision-based black-box targeted attack as a large-scale optimization problem. To efficiently solve the optimization problem, a three-stage process \textit{Ask, Attend, Attack}, called \textit{AAA}, is proposed to coordinate with the solver. \textit{Ask} guides attackers to create target texts that satisfy the specific semantics. \textit{Attend} identifies the crucial regions of the image for attacking, thus reducing the search space for the subsequent \textit{Attack}. \textit{Attack} uses an evolutionary algorithm to attack the crucial regions, where the attacks are semantically related to the target texts of \textit{Ask}, thus achieving targeted attacks without semantic loss. Experimental results on transformer-based and CNN+RNN-based image-to-text models confirmed the effectiveness of our proposed \textit{AAA}.
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The predominant *de facto* paradigm of testing ML models relies on either using only held-out data to compute aggregate evaluation metrics or by assessing the performance on different subgroups. However, such *data-only testing* methods operate under the restrictive assumption that the available empirical data is the sole input for testing ML models, disregarding valuable contextual information that could guide model testing. In this paper, we challenge the go-to approach of *data-only testing* and introduce *Context-Aware Testing* (CAT) which uses context as an inductive bias to guide the search for meaningful model failures. We instantiate the first CAT system, *SMART Testing*, which employs large language models to hypothesize relevant and likely failures, which are evaluated on data using a *self-falsification mechanism*. Through empirical evaluations in diverse settings, we show that SMART automatically identifies more relevant and impactful failures than alternatives, demonstrating the potential of CAT as a testing paradigm.
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Federated learning (FL) allows multiple devices to train a model collaboratively without sharing their data. Despite its benefits, FL is vulnerable to privacy leakage and poisoning attacks. To address the privacy concern, secure aggregation (SecAgg) is often used to obtain the aggregation of gradients on sever without inspecting individual user updates. Unfortunately, existing defense strategies against poisoning attacks rely on the analysis of local updates in plaintext, making them incompatible with SecAgg. To reconcile the conflicts, we propose a robust federated learning framework against poisoning attacks (RFLPA) based on SecAgg protocol. Our framework computes the cosine similarity between local updates and server updates to conduct robust aggregation. Furthermore, we leverage verifiable packed Shamir secret sharing to achieve reduced communication cost of $O(M+N)$ per user, and design a novel dot product aggregation algorithm to resolve the issue of increased information leakage. Our experimental results show that RFLPA significantly reduces communication and computation overhead by over $75\%$ compared to the state-of-the-art secret sharing method, BREA, while maintaining competitive accuracy.
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In this paper, we address the challenge of speech enhancement in real-world recordings, which often contain various forms of distortion, such as background noise, reverberation, and microphone artifacts. We revisit the use of Generative Adversarial Networks (GANs) for speech enhancement and theoretically show that GANs are naturally inclined to seek the point of maximum density within the conditional clean speech distribution, which, as we argue, is essential for speech enhancement task. We study various feature extractors for perceptual loss to facilitate the stability of adversarial training, developing a methodology for probing the structure of the feature space. This leads us to integrate WavLM-based perceptual loss into MS-STFT adversarial training pipeline, creating an effective and stable training procedure for the speech enhancement model. The resulting speech enhancement model, which we refer to as FINALLY, builds upon the HiFi++ architecture, augmented with a WavLM encoder and a novel training pipeline. Empirical results on various datasets confirm our model's ability to produce clear, high-quality speech at 48 kHz, achieving state-of-the-art performance in the field of speech enhancement. Demo page: https://samsunglabs.github.io/FINALLY-page/
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With the widespread application of Large Language Models (LLMs) to various domains, concerns regarding the trustworthiness of LLMs in safety-critical scenarios have been raised, due to their unpredictable tendency to hallucinate and generate misinformation. Existing LLMs do not have an inherent functionality to provide the users with an uncertainty/confidence metric for each response it generates, making it difficult to evaluate trustworthiness. Although several studies aim to develop uncertainty quantification methods for LLMs, they have fundamental limitations, such as being restricted to classification tasks, requiring additional training and data, considering only lexical instead of semantic information, and being prompt-wise but not response-wise. A new framework is proposed in this paper to address these issues. Semantic density extracts uncertainty/confidence information for each response from a probability distribution perspective in semantic space. It has no restriction on task types and is "off-the-shelf" for new models and tasks. Experiments on seven state-of-the-art LLMs, including the latest Llama 3 and Mixtral-8x22B models, on four free-form question-answering benchmarks demonstrate the superior performance and robustness of semantic density compared to prior approaches.
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Cech Persistence diagrams (PDs) are topological descriptors routinely used to capture the geometry of complex datasets. They are commonly compared using the Wasserstein distances $\mathrm{OT}_p$; however, the extent to which PDs are stable with respect to these metrics remains poorly understood. We partially close this gap by focusing on the case where datasets are sampled on an $m$-dimensional submanifold of $\mathbb{R}^d$. Under this manifold hypothesis, we show that convergence with respect to the $\mathrm{OT}_p$ metric happens exactly when $p>m$. We also provide improvements upon the bottleneck stability theorem in this case and prove new laws of large numbers for the total $\alpha$-persistence of PDs. Finally, we show how these theoretical findings shed new light on the behavior of the feature maps on the space of PDs that are used in ML-oriented applications of Topological Data Analysis.
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Species range maps (SRMs) are essential tools for research and policy-making in ecology, conservation, and environmental management. However, traditional SRMs rely on the availability of environmental covariates and high-quality observational data, both of which can be challenging to obtain due to geographic inaccessibility and resource constraints. We propose a novel approach combining millions of citizen science species observations with textual descriptions from Wikipedia, covering habitat preferences and range descriptions for tens of thousands of species. Our framework maps location, species, and text descriptions into a common space, facilitating the learning of rich spatial covariates at a global scale and enabling zero-shot range estimation from textual descriptions. Evaluated on held-out species, our zero-shot SRMs significantly outperform baselines and match the performance of SRMs obtained using tens of observations. Our approach also acts as a strong prior when combined with observational data, resulting in more accurate range estimation with less data. We present extensive quantitative and qualitative analyses of the learned representations in the context of range estimation and other spatial tasks, demonstrating the effectiveness of our approach.
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We present a new angle on the expressive power of graph neural networks (GNNs) by studying how the predictions of real-valued GNN classifiers, such as those classifying graphs probabilistically, evolve as we apply them on larger graphs drawn from some random graph model. We show that the output converges to a constant function, which upper-bounds what these classifiers can uniformly express. This strong convergence phenomenon applies to a very wide class of GNNs, including state of the art models, with aggregates including mean and the attention-based mechanism of graph transformers. Our results apply to a broad class of random graph models, including sparse and dense variants of the Erdős-Rényi model, the stochastic block model, and the Barabási-Albert model. We empirically validate these findings, observing that the convergence phenomenon appears not only on random graphs but also on some real-world graphs.
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The spatio-temporal relations of impacts of extreme events and their drivers in climate data are not fully understood and there is a need of machine learning approaches to identify such spatio-temporal relations from data. The task, however, is very challenging since there are time delays between extremes and their drivers, and the spatial response of such drivers is inhomogeneous. In this work, we propose a first approach and benchmarks to tackle this challenge. Our approach is trained end-to-end to predict spatio-temporally extremes and spatio-temporally drivers in the physical input variables jointly. By enforcing the network to predict extremes from spatio-temporal binary masks of identified drivers, the network successfully identifies drivers that are correlated with extremes. We evaluate our approach on three newly created synthetic benchmarks, where two of them are based on remote sensing or reanalysis climate data, and on two real-world reanalysis datasets. The source code and datasets are publicly available at the project page https://hakamshams.github.io/IDE.
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Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is particularly important in real-world scenarios, where invalid generated graphs hinder deployment in practical applications. Unconstrained and conditioned graph diffusion models fail to guarantee such domain-specific structural properties. We present ConStruct, a novel framework that enables graph diffusion models to incorporate hard constraints on specific properties, such as planarity or acyclicity. Our approach ensures that the sampled graphs remain within the domain of graphs that satisfy the specified property throughout the entire trajectory in both the forward and reverse processes. This is achieved by introducing an edge-absorbing noise model and a new projector operator. ConStruct demonstrates versatility across several structural and edge-deletion invariant constraints and achieves state-of-the-art performance for both synthetic benchmarks and attributed real-world datasets. For example, by incorporating planarity constraints in digital pathology graph datasets, the proposed method outperforms existing baselines, improving data validity by up to 71.1 percentage points.
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Bayesian coresets speed up posterior inference in the large-scale data regime by approximating the full-data log-likelihood function with a surrogate log-likelihood based on a small, weighted subset of the data. But while Bayesian coresets and methods for construction are applicable in a wide range of models, existing theoretical analysis of the posterior inferential error incurred by coreset approximations only apply in restrictive settings---i.e., exponential family models, or models with strong log-concavity and smoothness assumptions. This work presents general upper and lower bounds on the Kullback-Leibler (KL) divergence of coreset approximations that reflect the full range of applicability of Bayesian coresets. The lower bounds require only mild model assumptions typical of Bayesian asymptotic analyses, while the upper bounds require the log-likelihood functions to satisfy a generalized subexponentiality criterion that is weaker than conditions used in earlier work. The lower bounds are applied to obtain fundamental limitations on the quality of coreset approximations, and to provide a theoretical explanation for the previously-observed poor empirical performance of importance sampling-based construction methods. The upper bounds are used to analyze the performance of recent subsample-optimize methods. The flexibility of the theory is demonstrated in validation experiments involving multimodal, unidentifiable, heavy-tailed Bayesian posterior distributions.
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When matching parts of a surface to its whole, a fundamental question arises: Which points should be included in the matching process? The issue is intensified when using isometry to measure similarity, as it requires the validation of whether distances measured between pairs of surface points should influence the matching process. The approach we propose treats surfaces as manifolds equipped with geodesic distances, and addresses the partial shape matching challenge by introducing a novel criterion to meticulously search for consistent distances between pairs of points. The new criterion explores the relation between intrinsic geodesic distances between the points, geodesic distances between the points and surface boundaries, and extrinsic distances between boundary points measured in the embedding space. It is shown to be less restrictive compared to previous measures and achieves state-of-the-art results when used as a loss function in training networks for partial shape matching.
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Generative Flow Networks (GFlowNets; GFNs) are a family of energy-based generative methods for combinatorial objects, capable of generating diverse and high-utility samples. However, consistently biasing GFNs towards producing high-utility samples is non-trivial. In this work, we leverage connections between GFNs and reinforcement learning (RL) and propose to combine the GFN policy with an action-value estimate, $Q$, to create greedier sampling policies which can be controlled by a mixing parameter. We show that several variants of the proposed method, QGFN, are able to improve on the number of high-reward samples generated in a variety of tasks without sacrificing diversity.
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Positional encoding plays a crucial role in transformers, significantly impact- ing model performance and length generalization. Prior research has introduced absolute positional encoding (APE) and relative positional encoding (RPE) to distinguish token positions in given sequences. However, both APE and RPE remain fixed after model training regardless of input data, limiting their adaptability and flexibility. Hence, we expect that the desired positional encoding should be data-adaptive and can be dynamically adjusted with the given attention. In this paper, we propose a Data-Adaptive Positional Encoding (DAPE) method, which dynamically and semantically adjusts based on input context and learned fixed priors. Experimental validation on real-world datasets (Arxiv, Books3, and CHE) demonstrates that DAPE enhances model performances in terms of trained length and length generalization, where the improvements are statistically significant. The model visualization suggests that our model can keep both local and anti-local information. Finally, we successfully train the model on sequence length 128 and achieve better performance at evaluation sequence length 8192, compared with other static positional encoding methods, revealing the benefit of the adaptive positional encoding method.
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Diffusion models face significant challenges when employed for large-scale medical image reconstruction in real practice such as 3D Computed Tomography (CT). Due to the demanding memory, time, and data requirements, it is difficult to train a diffusion model directly on the entire volume of high-dimensional data to obtain an efficient 3D diffusion prior. Existing works utilizing diffusion priors on single 2D image slice with hand-crafted cross-slice regularization would sacrifice the z-axis consistency, which results in severe artifacts along the z-axis. In this work, we propose a novel framework that enables learning the 3D image prior through position-aware 3D-patch diffusion score blending for reconstructing large-scale 3D medical images. To the best of our knowledge, we are the first to utilize a 3D-patch diffusion prior for 3D medical image reconstruction. Extensive experiments on sparse view and limited angle CT reconstruction show that our DiffusionBlend method significantly outperforms previous methods and achieves state-of-the-art performance on real-world CT reconstruction problems with high-dimensional 3D image (i.e., $256 \times 256 \times 500$). Our algorithm also comes with better or comparable computational efficiency than previous state-of-the-art methods. Code is available at https://github.com/efzero/DiffusionBlend.
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Identifying causal effects is a key problem of interest across many disciplines. The two long-standing approaches to estimate causal effects are observational and experimental (randomized) studies. Observational studies can suffer from unmeasured confounding, which may render the causal effects unidentifiable. On the other hand, direct experiments on the target variable may be too costly or even infeasible to conduct. A middle ground between these two approaches is to estimate the causal effect of interest through proxy experiments, which are conducted on variables with a lower cost to intervene on compared to the main target. In an earlier work, we studied this setting and demonstrated that the problem of designing the optimal (minimum-cost) experiment for causal effect identification is NP-complete and provided a naive algorithm that may require solving exponentially many NP-hard problems as a sub-routine in the worst case. In this work, we provide a few reformulations of the problem that allow for designing significantly more efficient algorithms to solve it as witnessed by our extensive simulations. Additionally, we study the closely-related problem of designing experiments that enable us to identify a given effect through valid adjustments sets.
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Natural behaviors, even stereotyped ones, exhibit variability. Despite its role in exploring and learning, the function and neural basis of this variability is still not well understood. Given the coupling between neural activity and behavior, we ask what type of neural variability does not compromise behavioral performance. While previous studies typically curtail variability to allow for high task performance in neural networks, our approach takes the reversed perspective. We investigate how to generate maximal neural variability while at the same time having high network performance. To do so, we extend to neural activity the maximum occupancy principle (MOP) developed for behavior, and refer to this new neural principle as NeuroMOP. NeuroMOP posits that the goal of the nervous system is to maximize future action-state entropy, a reward-free, intrinsic motivation that entails creating all possible activity patterns while avoiding terminal or dangerous ones. We show that this goal can be achieved through a neural network controller that injects currents (actions) into a recurrent neural network of fixed random weights to maximize future cumulative action-state entropy. High activity variability can be induced while adhering to an energy constraint or while avoiding terminal states defined by specific neurons' activities, also in a context-dependent manner. The network solves these tasks by flexibly switching between stochastic and deterministic modes as needed and projecting noise onto a null space. Based on future maximum entropy production, NeuroMOP contributes to a novel theory of neural variability that reconciles stochastic and deterministic behaviors within a single framework.
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Ensuring that the outputs of neural networks satisfy specific constraints is crucial for applying neural networks to real-life decision-making problems. In this paper, we consider making a batch of neural network outputs satisfy bounded and general linear constraints. We first reformulate the neural network output projection problem as an entropy-regularized linear programming problem. We show that such a problem can be equivalently transformed into an unconstrained convex optimization problem with Lipschitz continuous gradient according to the duality theorem. Then, based on an accelerated gradient descent algorithm with numerical performance enhancement, we present our architecture, GLinSAT, to solve the problem. To the best of our knowledge, this is the first general linear satisfiability layer in which all the operations are differentiable and matrix-factorization-free. Despite the fact that we can explicitly perform backpropagation based on automatic differentiation mechanism, we also provide an alternative approach in GLinSAT to calculate the derivatives based on implicit differentiation of the optimality condition. Experimental results on constrained traveling salesman problems, partial graph matching with outliers, predictive portfolio allocation and power system unit commitment demonstrate the advantages of GLinSAT over existing satisfiability layers. Our implementation is available at https://github.com/HunterTracer/GLinSAT.
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Fine-tuned vision-language models (VLMs) often capture spurious correlations between image features and textual attributes, resulting in degraded zero-shot performance at test time. Existing approaches for addressing spurious correlations (i) primarily operate at the global image-level rather than intervening directly on fine-grained image features and (ii) are predominantly designed for unimodal settings. In this work, we present RaVL, which takes a fine-grained perspective on VLM robustness by discovering and mitigating spurious correlations using local image features rather than operating at the global image level. Given a fine-tuned VLM, RaVL first discovers spurious correlations by leveraging a region-level clustering approach to identify precise image features contributing to zero-shot classification errors. Then, RaVL mitigates the identified spurious correlation with a novel region-aware loss function that enables the VLM to focus on relevant regions and ignore spurious relationships during fine-tuning. We evaluate RaVL on 654 VLMs with various model architectures, data domains, and learned spurious correlations. Our results show that RaVL accurately discovers (191% improvement over the closest baseline) and mitigates (8.2% improvement on worst-group image classification accuracy) spurious correlations. Qualitative evaluations on general-domain and medical-domain VLMs confirm our findings.
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Multiple clustering aims to discover various latent structures of data from different aspects. Deep multiple clustering methods have achieved remarkable performance by exploiting complex patterns and relationships in data. However, existing works struggle to flexibly adapt to diverse user-specific needs in data grouping, which may require manual understanding of each clustering. To address these limitations, we introduce Multi-Sub, a novel end-to-end multiple clustering approach that incorporates a multi-modal subspace proxy learning framework in this work. Utilizing the synergistic capabilities of CLIP and GPT-4, Multi-Sub aligns textual prompts expressing user preferences with their corresponding visual representations. This is achieved by automatically generating proxy words from large language models that act as subspace bases, thus allowing for the customized representation of data in terms specific to the user’s interests. Our method consistently outperforms existing baselines across a broad set of datasets in visual multiple clustering tasks. Our code is available at https://github.com/Alexander-Yao/Multi-Sub.
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In the domain of code generation, self-debugging is crucial. It allows LLMs to refine their generated code based on execution feedback. This is particularly important because generating correct solutions in one attempt proves challenging for complex tasks. Prior works on self-debugging mostly focus on prompting methods by providing LLMs with few-shot examples, which work poorly on small open-sourced LLMs. In this work, we propose LeDex, a training framework that significantly improves the self-debugging capability of LLMs. Intuitively, we observe that a chain of explanations on the wrong code followed by code refinement helps LLMs better analyze the wrong code and do refinement. We thus propose an automated pipeline to collect a high-quality dataset for code explanation and refinement by generating a number of explanations and refinement trajectories from the LLM itself or a larger teacher model and filtering via execution verification. We perform supervised fine-tuning (SFT) and further reinforcement learning (RL) on both success and failure trajectories with a novel reward design considering code explanation and refinement quality. SFT improves the pass@1 by up to 15.92\% and pass@10 by 9.30\% over four benchmarks. RL training brings additional up to 3.54\% improvement on pass@1 and 2.55\% improvement on pass@10. The trained LLMs show iterative refinement ability and can keep refining code continuously. Lastly, our human evaluation shows that the LLMs trained with our framework generate more useful code explanations and help developers better understand bugs in source code.
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Offboard perception aims to automatically generate high-quality 3D labels for autonomous driving (AD) scenes. Existing offboard methods focus on 3D object detection with closed-set taxonomy and fail to match human-level recognition capability on the rapidly evolving perception tasks. Due to heavy reliance on human labels and the prevalence of data imbalance and sparsity, a unified framework for offboard auto-labeling various elements in AD scenes that meets the distinct needs of perception tasks is not being fully explored. In this paper, we propose a novel multi-modal Zero-shot Offboard Panoptic Perception (ZOPP) framework for autonomous driving scenes. ZOPP integrates the powerful zero-shot recognition capabilities of vision foundation models and 3D representations derived from point clouds. To the best of our knowledge, ZOPP represents a pioneering effort in the domain of multi-modal panoptic perception and auto labeling for autonomous driving scenes. We conduct comprehensive empirical studies and evaluations on Waymo open dataset to validate the proposed ZOPP on various perception tasks. To further explore the usability and extensibility of our proposed ZOPP, we also conduct experiments in downstream applications. The results further demonstrate the great potential of our ZOPP for real-world scenarios. Code will be released at \url{https://github.com/PJLab-ADG/ZOPP}.
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The online bipartite matching problem, extensively studied in the literature, deals with the allocation of online arriving vertices (items) to a predetermined set of offline vertices (agents). However, little attention has been given to the concept of class fairness, where agents are categorized into different classes, and the matching algorithm must ensure equitable distribution across these classes. We here focus on randomized algorithms for the fair matching of indivisible items, subject to various definitions of fairness. Our main contribution is the first (randomized) non-wasteful algorithm that simultaneously achieves a $1/2$ approximation to class envy-freeness (CEF) while simultaneously ensuring an equivalent approximation to the class proportionality (CPROP) and utilitarian social welfare (USW) objectives. We supplement this result by demonstrating that no non-wasteful algorithm can achieve an $\alpha$-CEF guarantee for $\alpha > 0.761$. In a similar vein, we provide a novel input instance for deterministic divisible matching that demonstrates a nearly tight CEF approximation. Lastly, we define the ``price of fairness," which represents the trade-off between optimal and fair matching. We demonstrate that increasing the level of fairness in the approximation of the solution leads to a decrease in the objective of maximizing USW, following an inverse proportionality relationship.
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We introduce AlphaTablets, a novel and generic representation of 3D planes that features continuous 3D surface and precise boundary delineation. By representing 3D planes as rectangles with alpha channels, AlphaTablets combine the advantages of current 2D and 3D plane representations, enabling accurate, consistent and flexible modeling of 3D planes. We derive differentiable rasterization on top of AlphaTablets to efficiently render 3D planes into images, and propose a novel bottom-up pipeline for 3D planar reconstruction from monocular videos. Starting with 2D superpixels and geometric cues from pre-trained models, we initialize 3D planes as AlphaTablets and optimize them via differentiable rendering. An effective merging scheme is introduced to facilitate the growth and refinement of AlphaTablets. Through iterative optimization and merging, we reconstruct complete and accurate 3D planes with solid surfaces and clear boundaries. Extensive experiments on the ScanNet dataset demonstrate state-of-the-art performance in 3D planar reconstruction, underscoring the great potential of AlphaTablets as a generic 3D plane representation for various applications.
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Recent advances in automated theorem proving leverages language models to explore expanded search spaces by step-by-step proof generation. However, such approaches are usually based on short-sighted heuristics (e.g., log probability or value function scores) that potentially lead to suboptimal or even distracting subgoals, preventing us from finding longer proofs. To address this challenge, we propose POETRY (PrOvE Theorems RecursivelY), which proves theorems in a recursive, level-by-level manner in the Isabelle theorem prover. Unlike previous step-by-step methods, POETRY searches for a verifiable sketch of the proof at each level and focuses on solving the current level's theorem or conjecture. Detailed proofs of intermediate conjectures within the sketch are temporarily replaced by a placeholder tactic called sorry, deferring their proofs to subsequent levels. This approach allows the theorem to be tackled incrementally by outlining the overall theorem at the first level and then solving the intermediate conjectures at deeper levels. Experiments are conducted on the miniF2F and PISA datasets and significant performance gains are observed in our POETRY approach over state-of-the-art methods. POETRY on miniF2F achieves an average proving success rate improvement of 5.1%. Moreover, we observe a substantial increase in the maximum proof length found by POETRY, from 10 to 26.
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Understanding treatment effect heterogeneity is vital for scientific and policy research. However, identifying and evaluating heterogeneous treatment effects pose significant challenges due to the typically unknown subgroup structure. Recently, a novel approach, causal k-means clustering, has emerged to assess heterogeneity of treatment effect by applying the k-means algorithm to unknown counterfactual regression functions. In this paper, we expand upon this framework by integrating hierarchical and density-based clustering algorithms. We propose plug-in estimators which are simple and readily implementable using off-the-shelf algorithms. Unlike k-means clustering, which requires the margin condition, our proposed estimators do not rely on strong structural assumptions on the outcome process. We go on to study their rate of convergence, and show that under the minimal regularity conditions, the additional cost of causal clustering is essentially the estimation error of the outcome regression functions. Our findings significantly extend the capabilities of the causal clustering framework, thereby contributing to the progression of methodologies for identifying homogeneous subgroups in treatment response, consequently facilitating more nuanced and targeted interventions. The proposed methods also open up new avenues for clustering with generic pseudo-outcomes. We explore finite sample properties via simulation, and illustrate the proposed methods in voting and employment projection datasets.
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We address the issue of physical implausibility in multi-view neural reconstruction. While implicit representations have gained popularity in multi-view 3D reconstruction, previous work struggles to yield physically plausible results, limiting their utility in domains requiring rigorous physical accuracy. This lack of plausibility stems from the absence of physics modeling in existing methods and their inability to recover intricate geometrical structures. In this paper, we introduce PHYRECON, the first approach to leverage both differentiable rendering and differentiable physics simulation to learn implicit surface representations. PHYRECON features a novel differentiable particle-based physical simulator built on neural implicit representations. Central to this design is an efficient transformation between SDF-based implicit representations and explicit surface points via our proposed Surface Points Marching Cubes (SP-MC), enabling differentiable learning with both rendering and physical losses. Additionally, PHYRECON models both rendering and physical uncertainty to identify and compensate for inconsistent and inaccurate monocular geometric priors. The physical uncertainty further facilitates physics-guided pixel sampling to enhance the learning of slender structures. By integrating these techniques, our model supports differentiable joint modeling of appearance, geometry, and physics. Extensive experiments demonstrate that PHYRECON significantly improves the reconstruction quality. Our results also exhibit superior physical stability in physical simulators, with at least a 40% improvement across all datasets, paving the way for future physics-based applications.
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The Procrustes-Wasserstein problem consists in matching two high-dimensional point clouds in an unsupervised setting, and has many applications in natural language processing and computer vision. We consider a planted model with two datasets $X,Y$ that consist of $n$ datapoints in $\mathbb{R}^d$, where $Y$ is a noisy version of $X$, up to an orthogonal transformation and a relabeling of the data points. This setting is related to the graph alignment problem in geometric models. In this work, we focus on the euclidean transport cost between the point clouds as a measure of performance for the alignment. We first establish information-theoretic results, in the high ($d \gg \log n$) and low ($d \ll \log n$) dimensional regimes. We then study computational aspects and propose the ‘Ping-Pong algorithm', alternatively estimating the orthogonal transformation and the relabeling, initialized via a Franke-Wolfe convex relaxation. We give sufficient conditions for the method to retrieve the planted signal after one single step. We provide experimental results to compare the proposed approach with the state-of-the-art method of Grave et al. (2019).
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The joint prediction of continuous fields and statistical estimation of the underlying discrete parameters is a common problem for many physical systems, governed by PDEs. Hitherto, it has been separately addressed by employing operator learning surrogates for field prediction while using simulation-based inference (and its variants) for statistical parameter determination. Here, we argue that solving both problems within the same framework can lead to consistent gains in accuracy and robustness. To this end, we propose a novel and flexible formulation of the operator learning problem that jointly predicts continuous quantities and infers distributions of discrete parameters, thereby amortizing the cost of both the inverse and the surrogate models to a joint pre-training step. We present the capabilities of the proposed methodology for predicting continuous and discrete biomarkers in full-body haemodynamics simulations under different levels of missing information. We also consider a test case for atmospheric large-eddy simulation of a two-dimensional dry cold bubble, where we infer both continuous time-series and information about the system's conditions. We present comparisons against different baselines to showcase significantly increased accuracy in both the inverse and the surrogate tasks.
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Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current molecular diffusion models are tailored towards a specific downstream task and lack adaptability. We introduce UniGuide, a framework for controlled geometric guidance of unconditional diffusion models that allows flexible conditioning during inference without the requirement of extra training or networks. We show how applications such as structure-based, fragment-based, and ligand-based drug design are formulated in the UniGuide framework and demonstrate on-par or superior performance compared to specialised models. Offering a more versatile approach, UniGuide has the potential to streamline the development of molecular generative models, allowing them to be readily used in diverse application scenarios.
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Determining the 3D orientations of an object in an image, known as single-image pose estimation, is a crucial task in 3D vision applications. Existing methods typically learn 3D rotations parametrized in the spatial domain using Euler angles or quaternions, but these representations often introduce discontinuities and singularities. SO(3)-equivariant networks enable the structured capture of pose patterns with data-efficient learning, but the parametrizations in spatial domain are incompatible with their architecture, particularly spherical CNNs, which operate in the frequency domain to enhance computational efficiency. To overcome these issues, we propose a frequency-domain approach that directly predicts Wigner-D coefficients for 3D rotation regression, aligning with the operations of spherical CNNs. Our SO(3)-equivariant pose harmonics predictor overcomes the limitations of spatial parameterizations, ensuring consistent pose estimation under arbitrary rotations. Trained with a frequency-domain regression loss, our method achieves state-of-the-art results on benchmarks such as ModelNet10-SO(3) and PASCAL3D+, with significant improvements in accuracy, robustness, and data efficiency.
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We study the complexity of heavy-tailed sampling and present a separation result in terms of obtaining high-accuracy versus low-accuracy guarantees i.e., samplers that require only $\mathcal{O}(\log(1/\varepsilon))$ versus $\Omega(\text{poly}(1/\varepsilon))$ iterations to output a sample which is $\varepsilon$-close to the target in $\chi^2$-divergence. Our results are presented for proximal samplers that are based on Gaussian versus stable oracles. We show that proximal samplers based on the Gaussian oracle have a fundamental barrier in that they necessarily achieve only low-accuracy guarantees when sampling from a class of heavy-tailed targets. In contrast, proximal samplers based on the stable oracle exhibit high-accuracy guarantees, thereby overcoming the aforementioned limitation. We also prove lower bounds for samplers under the stable oracle and show that our upper bounds cannot be fundamentally improved.
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The brain prepares for learning even before interacting with the environment, by refining and optimizing its structures through spontaneous neural activity that resembles random noise. However, the mechanism of such a process has yet to be understood, and it is unclear whether this process can benefit the algorithm of machine learning. Here, we study this issue using a neural network with a feedback alignment algorithm, demonstrating that pretraining neural networks with random noise increases the learning efficiency as well as generalization abilities without weight transport. First, we found that random noise training modifies forward weights to match backward synaptic feedback, which is necessary for teaching errors by feedback alignment. As a result, a network with pre-aligned weights learns notably faster and reaches higher accuracy than a network without random noise training, even comparable to the backpropagation algorithm. We also found that the effective dimensionality of weights decreases in a network pretrained with random noise. This pre-regularization allows the network to learn simple solutions of a low rank, reducing the generalization loss during subsequent training. This also enables the network robustly to generalize a novel, out-of-distribution dataset. Lastly, we confirmed that random noise pretraining reduces the amount of meta-loss, enhancing the network ability to adapt to various tasks. Overall, our results suggest that random noise training with feedback alignment offers a straightforward yet effective method of pretraining that facilitates quick and reliable learning without weight transport.
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Brain stimulation has the potential to create desired neural population activity states. However, it is challenging to search the large space of stimulation parameters, for example, selecting which subset of electrodes to be used for stimulation. In this scenario, creating a model that maps the configuration of stimulation parameters to the brain’s response can be beneficial. Training such an expansive model usually requires more stimulation-response samples than can be collected in a given experimental session. Furthermore, changes in the properties of the recorded activity over time can make it challenging to merge stimulation-response samples across sessions. To address these challenges, we propose MiSO (MicroStimulation Optimization), a closed-loop stimulation framework to drive neural population activity toward specified states by optimizing over a large stimulation parameter space. MiSO consists of three key components: 1) a neural activity alignment method to merge stimulation-response samples across sessions, 2) a statistical model trained on the merged samples to predict the brain's response to untested stimulation parameter configurations, and 3) an online optimization algorithm to adaptively update the stimulation parameter configuration based on the model's predictions. In this study, we implemented MiSO with a factor analysis (FA) based alignment method, a convolutional neural network (CNN), and an epsilon greedy optimization algorithm. We tested MiSO in closed-loop experiments using electrical microstimulation in the prefrontal cortex of a non-human primate. Guided by the CNN predictions, MiSO successfully searched amongst thousands of stimulation parameter configurations to drive the neural population activity toward specified states. More broadly, MiSO increases the clinical viability of neuromodulation technologies by enabling the use of many-fold larger stimulation parameter spaces.
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We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui et al., 2023] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.
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Diffusion models have obtained substantial progress in image-to-video generation. However, in this paper, we find that these models tend to generate videos with less motion than expected. We attribute this to the issue called conditional image leakage, where the image-to-video diffusion models (I2V-DMs) tend to over-rely on the conditional image at large time steps. We further address this challenge from both inference and training aspects. First, we propose to start the generation process from an earlier time step to avoid the unreliable large-time steps of I2V-DMs, as well as an initial noise distribution with optimal analytic expressions (Analytic-Init) by minimizing the KL divergence between it and the actual marginal distribution to bridge the training-inference gap. Second, we design a time-dependent noise distribution (TimeNoise) for the conditional image during training, applying higher noise levels at larger time steps to disrupt it and reduce the model's dependency on it. We validate these general strategies on various I2V-DMs on our collected open-domain image benchmark and the UCF101 dataset. Extensive results show that our methods outperform baselines by producing higher motion scores with lower errors while maintaining image alignment and temporal consistency, thereby yielding superior overall performance and enabling more accurate motion control. The project page: \url{https://cond-image-leak.github.io/}.
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A partial label (PL) specifies a set of candidate labels for an instance and partial-label learning (PLL) trains multi-class classifiers with PLs. Recently, many methods that incorporate techniques from other domains have shown strong potential. The expectation that stronger techniques would enhance performance has resulted in prominent PLL methods becoming not only highly complicated but also quite different from one another, making it challenging to choose the best direction for future algorithm design. While it is exciting to see higher performance, this leaves open a fundamental question: what makes a PLL method effective? We present a comprehensive empirical analysis of this question and summarize the success of PLL so far into some minimal algorithm design principles. Our findings reveal that high accuracy on benchmark-simulated datasets with PLs can misleadingly amplify the perceived effectiveness of some general techniques, which may improve representation learning but have limited impact on addressing the inherent challenges of PLs. We further identify the common behavior among successful PLL methods as a progressive transition from uniform to one-hot pseudo-labels, highlighting the critical role of mini-batch PL purification in achieving top performance. Based on our findings, we introduce a minimal working algorithm that is surprisingly simple yet effective, and propose an improved strategy to implement the design principles, suggesting a promising direction for improvements in PLL.
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Diffusion models generate new samples by progressively decreasing the noise from the initially provided random distribution. This inference procedure generally utilizes a trained neural network numerous times to obtain the final output, creating significant latency and energy consumption on digital electronic hardware such as GPUs. In this study, we demonstrate that the propagation of a light beam through a transparent medium can be programmed to implement a denoising diffusion model on image samples. This framework projects noisy image patterns through passive diffractive optical layers, which collectively only transmit the predicted noise term in the image. The optical transparent layers, which are trained with an online training approach, backpropagating the error to the analytical model of the system, are passive and kept the same across different steps of denoising. Hence this method enables high-speed image generation with minimal power consumption, benefiting from the bandwidth and energy efficiency of optical information processing.
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In federated learning (FL), accommodating clients' varied computational capacities poses a challenge, often limiting the participation of those with constrained resources in global model training. To address this issue, the concept of model heterogeneity through submodel extraction has emerged, offering a tailored solution that aligns the model's complexity with each client's computational capacity. In this work, we propose Federated Importance-Aware Submodel Extraction (FIARSE), a novel approach that dynamically adjusts submodels based on the importance of model parameters, thereby overcoming the limitations of previous static and dynamic submodel extraction methods. Compared to existing works, the proposed method offers a theoretical foundation for the submodel extraction and eliminates the need for additional information beyond the model parameters themselves to determine parameter importance, significantly reducing the overhead on clients. Extensive experiments are conducted on various datasets to showcase the superior performance of the proposed FIARSE.
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We consider the problem of recovering the ground truth ordering (ranking, top-$k$, or others) over a large number of alternatives. The wisdom of crowd is a heuristic approach based on Condorcet's Jury theorem to address this problem through collective opinions. This approach fails to recover the ground truth when the majority of the crowd is misinformed. The \emph{surprisingly popular} (SP) algorithm~\citep{prelec2017solution} is an alternative approach that is able to recover the ground truth even when experts are in minority. The SP algorithm requires the voters to predict other voters' report in the form of a full probability distribution over all rankings of alternatives. However, when the number of alternatives, $m$, is large, eliciting the prediction report or even the vote over $m$ alternatives might be too costly. In this paper, we design a scalable alternative of the SP algorithm which only requires eliciting partial preferences from the voters, and propose new variants of the SP algorithm. In particular, we propose two versions---\emph{Aggregated-SP} and \emph{Partial-SP}---that ask voters to report vote and prediction on a subset of size $k$ ($\ll m$) in terms of top alternative, partial rank, or an approval set. Through a large-scale crowdsourcing experiment on MTurk, we show that both of our approaches outperform conventional preference aggregation algorithms for the recovery of ground truth rankings, when measured in terms of Kendall-Tau distance and Spearman's $\rho$. We further analyze the collected data and demonstrate that voters' behavior in the experiment, including the minority of the experts, and the SP phenomenon, can be correctly simulated by a concentric mixtures of Mallows model. Finally, we provide theoretical bounds on the sample complexity of SP algorithms with partial rankings to demonstrate the theoretical guarantees of the proposed methods.
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Privacy issue is a main concern in developing face recognition techniques. Although synthetic face images can partially mitigate potential legal risks while maintaining effective face recognition (FR) performance, FR models trained by face images synthesized by existing generative approaches frequently suffer from performance degradation problems due to the insufficient discriminative quality of these synthesized samples. In this paper, we systematically investigate what contributes to solid face recognition model training, and reveal that face images with certain degree of similarities to their identity centers show great effectiveness in the performance of trained FR models. Inspired by this, we propose a novel diffusion-based approach (namely **Ce**nter-based Se**mi**-hard Synthetic Face Generation (**CemiFace**) which produces facial samples with various levels of similarity to the subject center, thus allowing to generate face datasets containing effective discriminative samples for training face recognition. Experimental results show that with a modest degree of similarity, training on the generated dataset can produce competitive performance compared to previous generation methods. The code will be available at:https://github.com/szlbiubiubiu/CemiFace
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Boosting is a highly successful ML-born optimization setting in which one is required to computationally efficiently learn arbitrarily good models based on the access to a weak learner oracle, providing classifiers performing at least slightly differently from random guessing. A key difference with gradient-based optimization is that boosting's original model does not requires access to first order information about a loss, yet the decades long history of boosting has quickly evolved it into a first order optimization setting -- sometimes even wrongfully *defining* it as such. Owing to recent progress extending gradient-based optimization to use only a loss' zeroth ($0^{th}$) order information to learn, this begs the question: what loss functions be efficiently optimized with boosting and what is the information really needed for boosting to meet the *original* boosting blueprint's requirements ? We provide a constructive formal answer essentially showing that *any* loss function can be optimized with boosting and thus boosting can achieve a feat not yet known to be possible in the classical $0^{th}$ order setting, since loss functions are not required to be be convex, nor differentiable or Lipschitz -- and in fact not required to be continuous either. Some tools we use are rooted in quantum calculus, the mathematical field -- not to be confounded with quantum computation -- that studies calculus without passing to the limit, and thus without using first order information.
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Curriculum Reinforcement Learning (CRL) is an approach to facilitate the learning process of agents by structuring tasks in a sequence of increasing complexity. Despite its potential, many existing CRL methods struggle to efficiently guide agents toward desired outcomes, particularly in the absence of domain knowledge. This paper introduces DiCuRL (Diffusion Curriculum Reinforcement Learning), a novel method that leverages conditional diffusion models to generate curriculum goals. To estimate how close an agent is to achieving its goal, our method uniquely incorporates a $Q$-function and a trainable reward function based on Adversarial Intrinsic Motivation within the diffusion model. Furthermore, it promotes exploration through the inherent noising and denoising mechanism present in the diffusion models and is environment-agnostic. This combination allows for the generation of challenging yet achievable goals, enabling agents to learn effectively without relying on domain knowledge. We demonstrate the effectiveness of DiCuRL in three different maze environments and two robotic manipulation tasks simulated in MuJoCo, where it outperforms or matches nine state-of-the-art CRL algorithms from the literature.
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Diffusion-based video generation models have demonstrated remarkable success in obtaining high-fidelity videos through the iterative denoising process. However, these models require multiple denoising steps during sampling, resulting in high computational costs. In this work, we propose a novel approach to obtain single-step video generation models by leveraging adversarial training to fine-tune pre-trained video diffusion models. We show that, through the adversarial training, the multi-steps video diffusion model, i.e., Stable Video Diffusion (SVD), can be trained to perform single forward pass to synthesize high-quality videos, capturing both temporal and spatial dependencies in the video data. Extensive experiments demonstrate that our method achieves competitive generation quality of synthesized videos with significantly reduced computational overhead for the denoising process (i.e., around $23\times$ speedup compared with SVD and $6\times$ speedup compared with existing works, with even better generation quality), paving the way for real-time video synthesis and editing.
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Learning generalist embodied agents, able to solve multitudes of tasks in different domains is a long-standing problem. Reinforcement learning (RL) is hard to scale up as it requires a complex reward design for each task. In contrast, language can specify tasks in a more natural way. Current foundation vision-language models (VLMs) generally require fine-tuning or other adaptations to be adopted in embodied contexts, due to the significant domain gap. However, the lack of multimodal data in such domains represents an obstacle to developing foundation models for embodied applications. In this work, we overcome these problems by presenting multimodal-foundation world models, able to connect and align the representation of foundation VLMs with the latent space of generative world models for RL, without any language annotations. The resulting agent learning framework, GenRL, allows one to specify tasks through vision and/or language prompts, ground them in the embodied domain’s dynamics, and learn the corresponding behaviors in imagination. As assessed through large-scale multi-task benchmarking in locomotion and manipulation domains, GenRL enables multi-task generalization from language and visual prompts. Furthermore, by introducing a data-free policy learning strategy, our approach lays the groundwork for foundational policy learning using generative world models. Website, code and data: https://mazpie.github.io/genrl/
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Recent research has underscored the efficacy of Graph Neural Networks (GNNs) in modeling diverse geometric structures within graph data. However, real-world graphs typically exhibit geometrically heterogeneous characteristics, rendering the confinement to a single geometric paradigm insufficient for capturing their intricate structural complexities. To address this limitation, we examine the performance of GNNs across various geometries through the lens of knowledge distillation (KD) and introduce a novel cross-geometric framework. This framework encodes graphs by integrating both Euclidean and hyperbolic geometries in a space-mixing fashion. Our approach employs multiple teacher models, each generating hint embeddings that encapsulate distinct geometric properties. We then implement a structure-wise knowledge transfer module that optimally leverages these embeddings within their respective geometric contexts, thereby enhancing the training efficacy of the student model. Additionally, our framework incorporates a geometric optimization network designed to bridge the distributional disparities among these embeddings. Experimental results demonstrate that our model-agnostic framework more effectively captures topological graph knowledge, resulting in superior performance of the student models when compared to traditional KD methodologies.
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This paper introduces SICSM, a novel structural inference framework that integrates Selective State Space Models (selective SSMs) with Generative Flow Networks (GFNs) to handle the challenges posed by dynamical systems with irregularly sampled trajectories and partial observations. By utilizing the robust temporal modeling capabilities of selective SSMs, our approach learns input-dependent transition functions that adapt to non-uniform time intervals, thereby enhancing the accuracy of structural inference. By aggregating dynamics across diverse temporal dependencies and channeling them into the GFN, the SICSM adeptly approximates the posterior distribution of the system's structure. This process not only enables precise inference of complex interactions within partially observed systems but also ensures the seamless integration of prior knowledge, enhancing the model’s accuracy and robustness. Extensive evaluations on sixteen diverse datasets demonstrate that SICSM outperforms existing methods, particularly in scenarios characterized by irregular sampling and incomplete observations, which highlight its potential as a reliable tool for scientific discovery and system diagnostics in disciplines that demand precise modeling of complex interactions.
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Tree ensembles are one of the most widely used model classes. However, these models are susceptible to adversarial examples, i.e., slightly perturbed examples that elicit a misprediction. There has been significant research on designing approaches to construct such examples for tree ensembles. But this is a computationally challenging problem that often must be solved a large number of times (e.g., for all examples in a training set). This is compounded by the fact that current approaches attempt to find such examples from scratch. In contrast, we exploit the fact that multiple similar problems are being solved. Specifically, our approach exploits the insight that adversarial examples for tree ensembles tend to perturb a consistent but relatively small set of features. We show that we can quickly identify this set of features and use this knowledge to speedup constructing adversarial examples.
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Recent advances in out-of-distribution (OOD) detection on image data show that pre-trained neural network classifiers can separate in-distribution (ID) from OOD data well, leveraging the class-discriminative ability of the model itself. Methods have been proposed that either use logit information directly or that process the model's penultimate layer activations. With "WeiPer", we introduce perturbations of the class projections in the final fully connected layer which creates a richer representation of the input. We show that this simple trick can improve the OOD detection performance of a variety of methods and additionally propose a distance-based method that leverages the properties of the augmented WeiPer space. We achieve state-of-the-art OOD detection results across multiple benchmarks of the OpenOOD framework, especially pronounced in difficult settings in which OOD samples are positioned close to the training set distribution. We support our findings with theoretical motivations and empirical observations, and run extensive ablations to provide insights into why WeiPer works. Our code is available at: https://github.com/mgranz/weiper.
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Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.
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Concept Bottleneck Models (CBMs) have emerged as a promising interpretable method whose final prediction is based on intermediate, human-understandable concepts rather than the raw input. Through time-consuming manual interventions, a user can correct wrongly predicted concept values to enhance the model's downstream performance. We propose *Stochastic Concept Bottleneck Models* (SCBMs), a novel approach that models concept dependencies. In SCBMs, a single-concept intervention affects all correlated concepts, thereby improving intervention effectiveness. Unlike previous approaches that model the concept relations via an autoregressive structure, we introduce an explicit, distributional parameterization that allows SCBMs to retain the CBMs' efficient training and inference procedure. Additionally, we leverage the parameterization to derive an effective intervention strategy based on the confidence region. We show empirically on synthetic tabular and natural image datasets that our approach improves intervention effectiveness significantly. Notably, we showcase the versatility and usability of SCBMs by examining a setting with CLIP-inferred concepts, alleviating the need for manual concept annotations.
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Complex logical query answering (CLQA) in knowledge graphs (KGs) goes beyond simple KG completion and aims at answering compositional queries comprised of multiple projections and logical operations. Existing CLQA methods that learn parameters bound to certain entity or relation vocabularies can only be applied to the graph they are trained on which requires substantial training time before being deployed on a new graph. Here we present UltraQuery, the first foundation model for inductive reasoning that can zero-shot answer logical queries on any KG. The core idea of UltraQuery is to derive both projections and logical operations as vocabulary-independent functions which generalize to new entities and relations in any KG. With the projection operation initialized from a pre-trained inductive KG completion model, UltraQuery can solve CLQA on any KG after finetuning on a single dataset. Experimenting on 23 datasets, UltraQuery in the zero-shot inference mode shows competitive or better query answering performance than best available baselines and sets a new state of the art on 15 of them.
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Image coding for multi-task applications, catering to both human perception and machine vision, has been extensively investigated. Existing methods often rely on multiple task-specific encoder-decoder pairs, leading to high overhead of parameter and bitrate usage, or face challenges in multi-objective optimization under a unified representation, failing to achieve both performance and efficiency. To this end, we propose Multi-Path Aggregation (MPA) integrated into existing coding models for joint human-machine vision, unifying the feature representation with an all-in-one architecture. MPA employs a predictor to allocate latent features among task-specific paths based on feature importance varied across tasks, maximizing the utility of shared features while preserving task-specific features for subsequent refinement. Leveraging feature correlations, we develop a two-stage optimization strategy to alleviate multi-task performance degradation. Upon the reuse of shared features, as low as 1.89\% parameters are further augmented and fine-tuned for a specific task, which completely avoids extensive optimization of the entire model. Experimental results show that MPA achieves performance comparable to state-of-the-art methods in both task-specific and multi-objective optimization across human viewing and machine analysis tasks. Moreover, our all-in-one design supports seamless transitions between human- and machine-oriented reconstruction, enabling task-controllable interpretation without altering the unified model. Code is available at https://github.com/NJUVISION/MPA.
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In this paper, we focus on simple bilevel optimization problems, where we minimize a convex smooth objective function over the optimal solution set of another convex smooth constrained optimization problem. We present a novel bilevel optimization method that locally approximates the solution set of the lower-level problem using a cutting plane approach and employs an accelerated gradient-based update to reduce the upper-level objective function over the approximated solution set. We measure the performance of our method in terms of suboptimality and infeasibility errors and provide non-asymptotic convergence guarantees for both error criteria. Specifically, when the feasible set is compact, we show that our method requires at most $\mathcal{O}(\max\\{1/\sqrt{\epsilon_{f}}, 1/\epsilon_g\\})$ iterations to find a solution that is $\epsilon_f$-suboptimal and $\epsilon_g$-infeasible. Moreover, under the additional assumption that the lower-level objective satisfies the $r$-th Hölderian error bound, we show that our method achieves an iteration complexity of $\mathcal{O}(\max\\{\epsilon_{f}^{-\frac{2r-1}{2r}},\epsilon_{g}^{-\frac{2r-1}{2r}}\\})$, which matches the optimal complexity of single-level convex constrained optimization when $r=1$.
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Variational Autoencoders for multimodal data hold promise for many tasks in data analysis, such as representation learning, conditional generation, and imputation. Current architectures either share the encoder output, decoder input, or both across modalities to learn a shared representation. Such architectures impose hard constraints on the model. In this work, we show that a better latent representation can be obtained by replacing these hard constraints with a soft constraint. We propose a new mixture-of-experts prior, softly guiding each modality's latent representation towards a shared aggregate posterior. This approach results in a superior latent representation and allows each encoding to preserve information better from its uncompressed original features. In extensive experiments on multiple benchmark datasets and two challenging real-world datasets, we show improved learned latent representations and imputation of missing data modalities compared to existing methods.
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In this paper, we introduce a novel variation of multi-armed bandits called bandits with ranking feedback. Unlike traditional bandits, this variation provides feedback to the learner that allows them to rank the arms based on previous pulls, without quantifying numerically the difference in performance. This type of feedback is well-suited for scenarios where the arms' values cannot be precisely measured using metrics such as monetary scores, probabilities, or occurrences. Common examples include human preferences in matchmaking problems. Furthermore, its investigation answers the theoretical question on how numerical rewards are crucial in bandit settings. In particular, we study the problem of designing no-regret algorithms with ranking feedback both in the stochastic and adversarial settings. We show that, with stochastic rewards, differently from what happens with non-ranking feedback, no algorithm can suffer a logarithmic regret in the time horizon $T$ in the instance-dependent case. Furthermore, we provide two algorithms. The first, namely DREE, guarantees a superlogarithmic regret in $T$ in the instance-dependent case thus matching our lower bound, while the second, namely R-LPE, guarantees a regret of $\mathcal{\widetilde O}(\sqrt{T})$ in the instance-independent case. Remarkably, we show that no algorithm can have an optimal regret bound in both instance-dependent and instance-independent cases. Finally, we prove that no algorithm can achieve a sublinear regret when the rewards are adversarial.
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Synthesizing time series data is pivotal in modern society, aiding effective decision making and ensuring privacy preservation in various scenarios. Time series are associated with various attributes, including trends, seasonality, and external information such as location. Recent research has predominantly focused on random unconditional synthesis or conditional synthesis. Nonetheless, these paradigms generate time series from scratch and are incapable of manipulating existing time series samples. This paper introduces a novel task, called Time Series Editing (TSE), to synthesize time series by manipulating existing time series. The objective is to modify the given time series according to the specified attributes while preserving other properties unchanged. This task is not trivial due to the inadequacy of data coverage and the intricate relationships between time series and their attributes. To address these issues, we introduce a novel diffusion model, called TEdit. The proposed TEdit is trained using a novel bootstrap learning algorithm that effectively enhances the coverage of the original data. It is also equipped with an innovative multi-resolution modeling and generation paradigm to capture the complex relationships between time series and their attributes. Experimental results demonstrate the efficacy of TEdit for editing specified attributes upon the existing time series data. The project page is at https://seqml.github.io/tse.
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Finetuning large language models (LLMs) in federated learning (FL) settings has become increasingly important as it allows resource-constrained devices to finetune a model using private data. However, finetuning LLMs using backpropagation requires excessive memory (especially from intermediate activations) for resource-constrained devices. While Forward-mode Auto-Differentiation (AD) can significantly reduce memory footprint from activations, we observe that directly applying it to LLM finetuning results in slow convergence and poor accuracy. In this paper, we introduce Spry, an FL algorithm that splits trainable weights of an LLM among participating clients, such that each client computes gradients using forward-mode AD that are closer estimations of the true gradients. Spry achieves a low memory footprint, high accuracy, and fast convergence. We formally prove that the global gradients in Spry are unbiased estimators of true global gradients for homogeneous data distributions across clients, while heterogeneity increases bias of the estimates. We also derive Spry's convergence rate, showing that the gradients decrease inversely proportional to the number of FL rounds, indicating the convergence up to the limits of heterogeneity. Empirically, Spry reduces the memory footprint during training by 1.4-7.1$\times$ in contrast to backpropagation, while reaching comparable accuracy, across a wide range of language tasks, models, and FL settings. Spry reduces the convergence time by 1.2-20.3$\times$ and achieves 5.2-13.5\% higher accuracy against state-of-the-art zero-order methods. When finetuning Llama2-7B with LoRA, compared to the peak memory consumption of 33.9GB of backpropagation, Spry only consumes 6.2GB of peak memory. For OPT13B, the reduction is from 76.5GB to 10.8GB. Spry makes feasible previously impossible FL deployments on commodity mobile and edge devices. Our source code is available for replication at https://github.com/Astuary/Spry.
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Neural 3D scene representations have shown great potential for 3D reconstruction from 2D images. However, reconstructing real-world captures of complex scenes still remains a challenge. Existing generic 3D reconstruction methods often struggle to represent fine geometric details and do not adequately model reflective surfaces of large-scale scenes. Techniques that explicitly focus on reflective surfaces can model complex and detailed reflections by exploiting better reflection parameterizations. However, we observe that these methods are often not robust in real scenarios where non-reflective as well as reflective components are present. In this work, we propose UniSDF, a general purpose 3D reconstruction method that can reconstruct large complex scenes with reflections. We investigate both camera view as well as reflected view-based color parameterization techniques and find that explicitly blending these representations in 3D space enables reconstruction of surfaces that are more geometrically accurate, especially for reflective surfaces. We further combine this representation with a multi-resolution grid backbone that is trained in a coarse-to-fine manner, enabling faster reconstructions than prior methods. Extensive experiments on object-level datasets DTU, Shiny Blender as well as unbounded datasets Mip-NeRF 360 and Ref-NeRF real demonstrate that our method is able to robustly reconstruct complex large-scale scenes with fine details and reflective surfaces, leading to the best overall performance. Project page: https://fangjinhuawang.github.io/UniSDF.
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We present a novel set of rigorous and computationally efficient topology-based complexity notions that exhibit a strong correlation with the generalization gap in modern deep neural networks (DNNs). DNNs show remarkable generalization properties, yet the source of these capabilities remains elusive, defying the established statistical learning theory. Recent studies have revealed that properties of training trajectories can be indicative of generalization. Building on this insight, state-of-the-art methods have leveraged the topology of these trajectories, particularly their fractal dimension, to quantify generalization. Most existing works compute this quantity by assuming continuous- or infinite-time training dynamics, complicating the development of practical estimators capable of accurately predicting generalization without access to test data. In this paper, we respect the discrete-time nature of training trajectories and investigate the underlying topological quantities that can be amenable to topological data analysis tools. This leads to a new family of reliable topological complexity measures that provably bound the generalization error, eliminating the need for restrictive geometric assumptions. These measures are computationally friendly, enabling us to propose simple yet effective algorithms for computing generalization indices. Moreover, our flexible framework can be extended to different domains, tasks, and architectures. Our experimental results demonstrate that our new complexity measures exhibit a strong correlation with generalization error in industry-standard architectures such as transformers and deep graph networks. Our approach consistently outperforms existing topological bounds across a wide range of datasets, models, and optimizers, highlighting the practical relevance and effectiveness of our complexity measures.
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Large-scale foundation models have demonstrated exceptional performance in language and vision tasks. However, the numerous dense matrix-vector operations involved in these large networks pose significant computational challenges during inference. To address these challenges, we introduce the Block-Level Adaptive STructured (BLAST) matrix, designed to learn and leverage efficient structures prevalent in the weight matrices of linear layers within deep learning models. Compared to existing structured matrices, the BLAST matrix offers substantial flexibility, as it can represent various types of structures that are either learned from data or computed from pre-existing weight matrices. We demonstrate the efficiency of using the BLAST matrix for compressing both language and vision tasks, showing that (i) for medium-sized models such as ViT and GPT-2, training with BLAST weights boosts performance while reducing complexity by 70\% and 40\%, respectively; and (ii) for large foundation models such as Llama-7B and DiT-XL, the BLAST matrix achieves a 2x compression while exhibiting the lowest performance degradation among all tested structured matrices. Our code is available at https://github.com/changwoolee/BLAST.
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Vision transformers (ViTs) perform exceptionally well in various computer vision tasks but remain vulnerable to adversarial attacks. Recent studies have shown that the transferability of adversarial examples exists for CNNs, and the same holds true for ViTs. However, existing ViT attacks aggressively regularize the largest token gradients to exact zero within each layer of the surrogate model, overlooking the interactions between layers, which limits their transferability in attacking black-box models. Therefore, in this paper, we focus on boosting the transferability of adversarial attacks on ViTs through adaptive token tuning (ATT). Specifically, we propose three optimization strategies: an adaptive gradient re-scaling strategy to reduce the overall variance of token gradients, a self-paced patch out strategy to enhance the diversity of input tokens, and a hybrid token gradient truncation strategy to weaken the effectiveness of attention mechanism. We demonstrate that scaling correction of gradient changes using gradient variance across different layers can produce highly transferable adversarial examples. In addition, introducing attentional truncation can mitigate the overfitting over complex interactions between tokens in deep ViT layers to further improve the transferability. On the other hand, using feature importance as a guidance to discard a subset of perturbation patches in each iteration, along with combining self-paced learning and progressively more sampled attacks, significantly enhances the transferability over attacks that use all perturbation patches. Extensive experiments conducted on ViTs, undefended CNNs, and defended CNNs validate the superiority of our proposed ATT attack method. On average, our approach improves the attack performance by 10.1% compared to state-of-the-art transfer-based attacks. Notably, we achieve the best attack performance with an average of 58.3% on three defended CNNs. Code is available at https://github.com/MisterRpeng/ATT.
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We study the implicit regularization effects induced by (observation) weighting of pretrained features. For weight and feature matrices of bounded operator norms that are infinitesimally free with respect to (normalized) trace functionals, we derive equivalence paths connecting different weighting matrices and ridge regularization levels. Specifically, we show that ridge estimators trained on weighted features along the same path are asymptotically equivalent when evaluated against test vectors of bounded norms. These paths can be interpreted as matching the effective degrees of freedom of ridge estimators fitted with weighted features. For the special case of subsampling without replacement, our results apply to independently sampled random features and kernel features and confirm recent conjectures (Conjectures 7 and 8) of the authors on the existence of such paths in Patil and Du (2023). We also present an additive risk decomposition for ensembles of weighted estimators and show that the risks are equivalent along the paths when the ensemble size goes to infinity. As a practical consequence of the path equivalences, we develop an efficient cross-validation method for tuning and apply it to subsampled pretrained representations across several models (e.g., ResNet-50) and datasets (e.g., CIFAR-100).
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Current studies on adversarial robustness mainly focus on aggregating \textit{local} robustness results from a set of data samples to evaluate and rank different models. However, the local statistics may not well represent the true \textit{global} robustness of the underlying unknown data distribution. To address this challenge, this paper makes the first attempt to present a new framework, called \textit{GREAT Score}, for global robustness evaluation of adversarial perturbation using generative models. Formally, GREAT Score carries the physical meaning of a global statistic capturing a mean certified attack-proof perturbation level over all samples drawn from a generative model. For finite-sample evaluation, we also derive a probabilistic guarantee on the sample complexity and the difference between the sample mean and the true mean. GREAT Score has several advantages: (1) Robustness evaluations using GREAT Score are efficient and scalable to large models, by sparing the need of running adversarial attacks. In particular, we show high correlation and significantly reduced computation cost of GREAT Score when compared to the attack-based model ranking on RobustBench \cite{croce2021robustbench}. (2) The use of generative models facilitates the approximation of the unknown data distribution. In our ablation study with different generative adversarial networks (GANs), we observe consistency between global robustness evaluation and the quality of GANs. (3) GREAT Score can be used for remote auditing of privacy-sensitive black-box models, as demonstrated by our robustness evaluation on several online facial recognition services.
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In multi-sequence Magnetic Resonance Imaging (MRI), the accurate segmentation of the kidney and tumor based on traditional supervised methods typically necessitates detailed annotation for each sequence, which is both time-consuming and labor-intensive. Unsupervised Domain Adaptation (UDA) methods can effectively mitigate inter-domain differences by aligning cross-modal features, thereby reducing the annotation burden. However, most existing UDA methods are limited to one-to-one domain adaptation, which tends to be inefficient and resource-intensive when faced with multi-target domain transfer tasks. To address this challenge, we propose a novel and efficient One-to-Multiple Progressive Style Transfer Unsupervised Domain-Adaptive (PSTUDA) framework for kidney and tumor segmentation in multi-sequence MRI. Specifically, we develop a multi-level style dictionary to explicitly store the style information of each target domain at various stages, which alleviates the burden of a single generator in a multi-target transfer task and enables effective decoupling of content and style. Concurrently, we employ multiple cascading style fusion modules that utilize point-wise instance normalization to progressively recombine content and style features, which enhances cross-modal alignment and structural consistency. Experiments conducted on the private MSKT and public KiTS19 datasets demonstrate the superiority of the proposed PSTUDA over comparative methods in multi-sequence kidney and tumor segmentation. The average Dice Similarity Coefficients are increased by at least 1.8% and 3.9%, respectively. Impressively, our PSTUDA not only significantly reduces the floating-point computation by approximately 72% but also reduces the number of model parameters by about 50%, bringing higher efficiency and feasibility to practical clinical applications.
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While Distributed Machine Learning (DML) has been widely used to achieve decent performance, it is still challenging to take full advantage of data and devices distributed at multiple vantage points to adapt and learn, especially it is non-trivial to address dynamic and divergence challenges based on the linear aggregation framework as follows: (1) heterogeneous learning data at different devices (i.e., non-IID data) resulting in model divergence and (2) in the case of time-varying communication links, the limited ability for devices to reconcile model divergence. In this paper, we contribute a non-linear class aggregation framework HyperPrism that leverages distributed mirror descent with averaging done in the mirror descent dual space and adapts the degree of Weighted Power Mean (WPM) used in each round. Moreover, HyperPrism could adaptively choose different mapping for different layers of the local model with a dedicated hypernetwork per device, achieving automatic optimization of DML in high divergence settings. We perform rigorous analysis and experimental evaluations to demonstrate the effectiveness of adaptive, mirror-mapping DML. In particular, we extend the generalizability of existing related works and position them as special cases within HyperPrism. Our experimental results show that HyperPrism can improve the convergence speed up to 98.63% and scale well to more devices compared with the state-of-the-art, all with little additional computation overhead compared to traditional linear aggregation.
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Querying complex models for precise information (e.g. traffic models, database systems, large ML models) often entails intense computations and results in long response times. Thus, weaker models which give imprecise results quickly can be advantageous, provided inaccuracies can be resolved using few queries to a stronger model. In the fundamental problem of computing a maximum-weight basis of a matroid, a well-known generalization of many combinatorial optimization problems, algorithms have access to a clean oracle to query matroid information. We additionally equip algorithms with a fast but dirty oracle. We design and analyze practical algorithms which only use few clean queries w.r.t. the quality of the dirty oracle, while maintaining robustness against arbitrarily poor dirty oracles, approaching the performance of classic algorithms for the given problem. Notably, we prove that our algorithms are, in many respects, best-possible. Further, we outline extensions to other matroid oracle types, non-free dirty oracles and other matroid problems.
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Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existing works build the model in the original geometric space, leading to high computational costs when the number of sample points is large. We present the Latent Neural Operator (LNO) solving PDEs in the latent space. In particular, we first propose Physics-Cross-Attention (PhCA) transforming representation from the geometric space to the latent space, then learn the operator in the latent space, and finally recover the real-world geometric space via the inverse PhCA map. Our model retains flexibility that can decode values in any position not limited to locations defined in the training set, and therefore can naturally perform interpolation and extrapolation tasks particularly useful for inverse problems. Moreover, the proposed LNO improves both prediction accuracy and computational efficiency. Experiments show that LNO reduces the GPU memory by 50%, speeds up training 1.8 times, and reaches state-of-the-art accuracy on four out of six benchmarks for forward problems and a benchmark for inverse problem. Code is available at https://github.com/L-I-M-I-T/LatentNeuralOperator.
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In this work, we offer a theoretical analysis of two modern optimization techniques for training large and complex models: (i) adaptive optimization algorithms, such as Adam, and (ii) the model exponential moving average (EMA). Specifically, we demonstrate that a clipped version of Adam with model EMA achieves the optimal convergence rates in various nonconvex optimization settings, both smooth and nonsmooth. Moreover, when the scale varies significantly across different coordinates, we demonstrate that the coordinate-wise adaptivity of Adam is provably advantageous. Notably, unlike previous analyses of Adam, our analysis crucially relies on its core elements---momentum and discounting factors---as well as model EMA, motivating their wide applications in practice.
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Multi-modal large language models (MLLMs) have shown impressive capabilities as a general-purpose interface for various visual and linguistic tasks. However, building a unified MLLM for multi-task learning in the medical field remains a thorny challenge. To mitigate the tug-of-war problem of multi-modal multi-task optimization in MLLMs, recent advances primarily focus on improving the LLM components, while neglecting the connector that bridges the gap between modalities. In this paper, we introduce Uni-Med, a novel medical generalist foundation model which consists of a universal visual feature extraction module, a connector mixture-of-experts (CMoE) module, and an LLM. Benefiting from the proposed CMoE that leverages a well-designed router with a mixture of projection experts at the connector, Uni-Med achieves efficient solution to the tug-of-war problem and can perform six different medical tasks including question answering, visual question answering, report generation, referring expression comprehension, referring expression generation and image classification. To the best of our knowledge, Uni-Med is the first effort to tackle multi-task interference at the connector in MLLMs. Extensive ablation experiments validate the effectiveness of introducing CMoE under any configuration, with up to an average 8% performance gains. We further provide interpretation analysis of the tug-of-war problem from the perspective of gradient optimization and parameter statistics. Compared to previous state-of-the-art medical MLLMs, Uni-Med achieves competitive or superior evaluation metrics on diverse tasks. Code and resources are available at https://github.com/MSIIP/Uni-Med.
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This paper introduces AMT, an \textbf{A}dversarial \textbf{M}eta-\textbf{T}uning methodology, to boost the robust generalization of pre-trained models in the out-of-domain (OOD) few-shot learning. To address the challenge of transferring knowledge from source domains to unseen target domains, we construct the robust LoRAPool by meta-tuning LoRAs with dual perturbations applied to not only the inputs but also singular values and vectors of the weight matrices at various robustness levels. On top of that, we introduce a simple yet effective test-time merging mechanism to dynamically merge discriminative LoRAs for test-time task customization. Extensive evaluations demonstrate that AMT yields significant improvements, up to 12.92\% in clean generalization and up to 49.72\% in adversarial generalization, over previous state-of-the-art methods across a diverse range of OOD few-shot image classification tasks on three benchmarks, confirming the effectiveness of our approach to boost the robust generalization of pre-trained models. Our code is available at \href{https://github.com/xyang583/AMT}{https://github.com/xyang583/AMT}.
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A Random Utility Model (RUM) is a classical model of user behavior defined by a distribution over $\mathbb{R}^n$. A user, presented with a subset of $\\{1,\ldots,n\\}$, will select the item of the subset with the highest utility, according to a utility vector drawn from the specified distribution. In practical settings, the subset is often of small size, as in the ``ten blue links'' of web search. In this paper, we consider a learning setting with complete information on user choices from subsets of size at most $k$. We show that $k=\Theta(\sqrt{n})$ is both necessary and sufficient to predict the distribution of all user choices with an arbitrarily small, constant error. Based on the upper bound, we obtain new algorithms for approximate RUM learning and variations thereof. Furthermore, we employ our lower bound for approximate RUM learning to derive lower bounds to fractional extensions of the well-studied $k$-deck and trace reconstruction problems.
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Web-scale visual entity recognition, the task of associating images with their corresponding entities within vast knowledge bases like Wikipedia, presents significant challenges due to the lack of clean, large-scale training data. In this paper, we propose a novel methodology to curate such a dataset, leveraging a multimodal large language model (LLM) for label verification, metadata generation, and rationale explanation. Instead of relying on the multimodal LLM to directly annotate data, which we found to be suboptimal, we prompt it to reason about potential candidate entity labels by accessing additional contextually relevant information (such as Wikipedia), resulting in more accurate annotations. We further use the multimodal LLM to enrich the dataset by generating question-answer pairs and a grounded fine-grained textual description (referred to as "rationale") that explains the connection between images and their assigned entities. Experiments demonstrate that models trained on this automatically curated data achieve state-of-the-art performance on web-scale visual entity recognition tasks (e.g. +6.9% improvement in OVEN entity task), underscoring the importance of high-quality training data in this domain.
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Self-Supervised learning (SSL) with Joint-Embedding Architectures (JEA) has led to outstanding performances. All instantiations of this paradigm were trained using strong and well-established hand-crafted data augmentations, leading to the general belief that they are required for the proper training and performance of such models. On the other hand, generative reconstruction-based models such as BEIT and MAE or Joint-Embedding Predictive Architectures such as I-JEPA have shown strong performance without using data augmentations except masking. In this work, we challenge the importance of invariance and data-augmentation in JEAs at scale. By running a case-study on a recent SSL foundation model -- DINOv2 -- we show that strong image representations can be obtained with JEAs and only cropping without resizing provided the training data is large enough, reaching state-of-the-art results and using the least amount of augmentation in the literature. Through this study, we also discuss the impact of compute constraints on the outcomes of experimental deep learning research, showing that they can lead to very different conclusions.
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We present the first algorithm for testing equivalence between two continuous distributions using differential privacy (DP). Our algorithm is a private version of the algorithm of Diakonikolas et al. The algorithm of Diakonikolas et al uses the data itself to repeatedly discretize the real line so that --- when the two distributions are far apart in ${\cal A}_k$-norm --- one of the discretized distributions exhibits large $L_2$-norm difference; and upon repeated sampling such large gap would be detected. Designing its private analogue poses two difficulties. First, our DP algorithm can not resample new datapoints as a change to a single datapoint may lead to a very large change in the descretization of the real line. In contrast, the (sorted) index of the discretization point changes only by $1$ between neighboring instances, and so we use a novel algorithm that set the discretization points using random Bernoulli noise, resulting in only a few buckets being affected under the right coupling. Second, our algorithm, which doesn't resample data, requires we also revisit the utility analysis of the original algorithm and prove its correctness w.r.t. the original sorted data; a problem we tackle using sampling a subset of Poisson-drawn size from each discretized bin. Lastly, since any distribution can be reduced to a continuous distribution, our algorithm is successfully carried to multiple other families of distributions and thus has numerous applications.
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The accurate identification of active sites in proteins is essential for the advancement of life sciences and pharmaceutical development, as these sites are of critical importance for enzyme activity and drug design. Recent advancements in protein language models (PLMs), trained on extensive datasets of amino acid sequences, have significantly improved our understanding of proteins. However, compared to the abundant protein sequence data, functional annotations, especially precise per-residue annotations, are scarce, which limits the performance of PLMs. On the other hand, textual descriptions of proteins, which could be annotated by human experts or a pretrained protein sequence-to-text model, provide meaningful context that could assist in the functional annotations, such as the localization of active sites. This motivates us to construct a $\textbf{ProT}$ein-$\textbf{A}$ttribute text $\textbf{D}$ataset ($\textbf{ProTAD}$), comprising over 570,000 pairs of protein sequences and multi-attribute textual descriptions. Based on this dataset, we propose $\textbf{MMSite}$, a multi-modal framework that improves the performance of PLMs to identify active sites by leveraging biomedical language models (BLMs). In particular, we incorporate manual prompting and design a MACross module to deal with the multi-attribute characteristics of textual descriptions. MMSite is a two-stage ("First Align, Then Fuse") framework: first aligns the textual modality with the sequential modality through soft-label alignment, and then identifies active sites via multi-modal fusion. Experimental results demonstrate that MMSite achieves state-of-the-art performance compared to existing protein representation learning methods. The dataset and code implementation are available at https://github.com/Gift-OYS/MMSite.
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When solving long-horizon tasks, it is intriguing to decompose the high-level task into subtasks. Decomposing experiences into reusable subtasks can improve data efficiency, accelerate policy generalization, and in general provide promising solutions to multi-task reinforcement learning and imitation learning problems. However, the concept of subtasks is not sufficiently understood and modeled yet, and existing works often overlook the true structure of the data generation process: subtasks are the results of a *selection* mechanism on actions, rather than possible underlying confounders or intermediates. Specifically, we provide a theory to identify, and experiments to verify the existence of selection variables in such data. These selections serve as subgoals that indicate subtasks and guide policy. In light of this idea, we develop a sequential non-negative matrix factorization (seq- NMF) method to learn these subgoals and extract meaningful behavior patterns as subtasks. Our empirical results on a challenging Kitchen environment demonstrate that the learned subtasks effectively enhance the generalization to new tasks in multi-task imitation learning scenarios. The codes are provided at this [*link*](https://anonymous.4open.science/r/Identifying\_Selections\_for\_Unsupervised\_Subtask\_Discovery/README.md).
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In this work, we study the dormant neuron phenomenon in multi-agent reinforcement learning value factorization, where the mixing network suffers from reduced network expressivity caused by an increasing number of inactive neurons. We demonstrate the presence of the dormant neuron phenomenon across multiple environments and algorithms, and show that this phenomenon negatively affects the learning process. We show that dormant neurons correlates with the existence of over-active neurons, which have large activation scores. To address the dormant neuron issue, we propose ReBorn, a simple but effective method that transfers the weights from over-active neurons to dormant neurons. We theoretically show that this method can ensure the learned action preferences are not forgotten after the weight-transferring procedure, which increases learning effectiveness. Our extensive experiments reveal that ReBorn achieves promising results across various environments and improves the performance of multiple popular value factorization approaches. The source code of ReBorn is available in \url{https://github.com/xmu-rl-3dv/ReBorn}.
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Node centralities play a pivotal role in network science, social network analysis, and recommender systems. In temporal data, static path-based centralities like closeness or betweenness can give misleading results about the true importance of nodes in a temporal graph. To address this issue, temporal generalizations of betweenness and closeness have been defined that are based on the shortest time-respecting paths between pairs of nodes. However, a major issue of those generalizations is that the calculation of such paths is computationally expensive. Addressing this issue, we study the application of De Bruijn Graph Neural Networks (DBGNN), a time-aware graph neural network architecture, to predict temporal path-based centralities in time series data. We experimentally evaluate our approach in 13 temporal graphs from biological and social systems and show that it considerably improves the prediction of betweenness and closeness centrality compared to (i) a static Graph Convolutional Neural Network, (ii) an efficient sampling-based approximation technique for temporal betweenness, and (iii) two state-of-the-art time-aware graph learning techniques for dynamic graphs.
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Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on self-supervised models trained on vast, unlabeled protein sequence or structure datasets. While initial protein representation learning studies solely focused on either sequence or structural features, recent hybrid architectures have sought to merge these modalities to harness their respective strengths. However, these sequence-structure models have so far achieved only incremental improvements when compared to the leading sequence-only approaches, highlighting unresolved challenges effectively leveraging these modalities together. Moreover, the function of certain proteins is highly dependent on the granular aspects of their surface topology, which have been overlooked by prior models. To address these limitations, we introduce the Sequence-Structure-Surface Fitness (**S3F**) model — a novel multimodal representation learning framework that integrates protein features across several scales. Our approach combines sequence representations from a protein language model with Geometric Vector Perceptron networks encoding protein backbone and detailed surface topology. The proposed method achieves state-of-the-art fitness prediction on the ProteinGym benchmark encompassing 217 substitution deep mutational scanning assays, and provides insights into the determinants of protein function. Our code is at https://github.com/DeepGraphLearning/S3F.
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We present an novel framework for efficiently and effectively extending the powerful continuous diffusion processes to discrete modeling. Previous approaches have suffered from the discrepancy between discrete data and continuous modeling. Our study reveals that the absence of guidance from discrete boundaries in learning probability contours is one of the main reasons. To address this issue, we propose a two-step forward process that first estimates the boundary as a prior distribution and then rescales the forward trajectory to construct a boundary conditional diffusion model. The reverse process is proportionally adjusted to guarantee that the learned contours yield more precise discrete data. Experimental results indicate that our approach achieves strong performance in both language modeling and discrete image generation tasks. In language modeling, our approach surpasses previous state-of-the-art continuous diffusion language models in three translation tasks and a summarization task, while also demonstrating competitive performance compared to auto-regressive transformers. Moreover, our method achieves comparable results to continuous diffusion models when using discrete ordinal pixels and establishes a new state-of-the-art for categorical image generation on the Cifar-10 dataset.
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Correspondences in point cloud registration are prone to outliers, significantly reducing registration accuracy and highlighting the need for precise inlier identification. In this paper, we propose a robust inlier identification algorithm for point cloud registration by reformulating the conventional registration problem as an alignment error $\ell_0$-minimization problem. The $\ell_0$-minimization problem is formulated for each local set, where those local sets are built on a compatibility graph of input correspondences. To resolve the $\ell_0$-minimization, we develop a novel two-stage decoupling strategy, which first decouples the alignment error into a rotation fitting error and a translation fitting error. Second, null-space matrices are employed to decouple inlier identification from the estimation of rotation and translation respectively, thereby applying Bayesian theory to $\ell_0$-minimization problems and solving for fitting errors. Correspondences with the smallest errors are identified as inliers to generate a transformation hypothesis for each local set. The best hypothesis is selected to perform registration. We demonstrate that the proposed inlier identification algorithm is robust under high outlier ratios and noise through experiments. Extensive results on the KITTI, 3DMatch, and 3DLoMatch datasets demonstrate that our method achieves state-of-the-art performance compared to both traditional and learning-based methods in various indoor and outdoor scenes.
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Advances in latent diffusion models (LDMs) have revolutionized high-resolution image generation, but the design space of the autoencoder that is central to these systems remains underexplored. In this paper, we introduce LiteVAE, a new autoencoder design for LDMs, which leverages the 2D discrete wavelet transform to enhance scalability and computational efficiency over standard variational autoencoders (VAEs) with no sacrifice in output quality. We investigate the training methodologies and the decoder architecture of LiteVAE and propose several enhancements that improve the training dynamics and reconstruction quality. Our base LiteVAE model matches the quality of the established VAEs in current LDMs with a six-fold reduction in encoder parameters, leading to faster training and lower GPU memory requirements, while our larger model outperforms VAEs of comparable complexity across all evaluated metrics (rFID, LPIPS, PSNR, and SSIM).
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We present a novel method for symbolic regression (SR), the task of searching for compact programmatic hypotheses that best explain a dataset. The problem is commonly solved using genetic algorithms; we show that we can enhance such methods by inducing a library of abstract textual concepts. Our algorithm, called LaSR, uses zero-shot queries to a large language model (LLM) to discover and evolve concepts occurring in known high-performing hypotheses. We discover new hypotheses using a mix of standard evolutionary steps and LLM-guided steps (obtained through zero-shot LLM queries) conditioned on discovered concepts. Once discovered, hypotheses are used in a new round of concept abstraction and evolution. We validate LaSR on the Feynman equations, a popular SR benchmark, as well as a set of synthetic tasks. On these benchmarks, LaSR substantially outperforms a variety of state-of-the-art SR approaches based on deep learning and evolutionary algorithms. Moreover, we show that LASR can be used to discover a new and powerful scaling law for LLMs.
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In this paper, we propose a provably efficient natural policy gradient algorithm called Spectral Dynamic Embedding Policy Optimization (\SDEPO) for two-player zero-sum stochastic Markov games with continuous state space and finite action space. In the policy evaluation procedure of our algorithm, a novel kernel embedding method is employed to construct a finite-dimensional linear approximations to the state-action value function. We explicitly analyze the approximation error in policy evaluation, and show that \SDEPO\ achieves an $\tilde{O}(\frac{1}{(1-\gamma)^3\epsilon})$ last-iterate convergence to the $\epsilon-$optimal Nash equilibrium, which is independent of the cardinality of the state space. The complexity result matches the best-known results for global convergence of policy gradient algorithms for single agent setting. Moreover, we also propose a practical variant of \SDEPO\ to deal with continuous action space and empirical results demonstrate the practical superiority of the proposed method.
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Deep neural networks have been known to be vulnerable to adversarial examples, which are inputs that are modified slightly to fool the network into making incorrect predictions. This has led to a significant amount of research on evaluating the robustness of these networks against such perturbations. One particularly important robustness metric is the robustness to minimal $\ell_{2}$ adversarial perturbations. However, existing methods for evaluating this robustness metric are either computationally expensive or not very accurate. In this paper, we introduce a new family of adversarial attacks that strike a balance between effectiveness and computational efficiency. Our proposed attacks are generalizations of the well-known DeepFool (DF) attack, while they remain simple to understand and implement. We demonstrate that our attacks outperform existing methods in terms of both effectiveness and computational efficiency. Our proposed attacks are also suitable for evaluating the robustness of large models and can be used to perform adversarial training (AT) to achieve state-of-the-art robustness to minimal $\ell_{2}$ adversarial perturbations.
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In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian. Ablation studies of DEQHNet further elucidate the network's effectiveness, offering insights into the potential of DEQ-integrated networks for Hamiltonian learning. We open source our implementation at https://github.com/Zun-Wang/DEQHNet.
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The widespread success of deep learning models today is owed to the curation of extensive datasets significant in size and complexity. However, such models frequently pick up inherent biases in the data during the training process, leading to unreliable predictions. Diagnosing and debiasing datasets is thus a necessity to ensure reliable model performance. In this paper, we present ConBias, a novel framework for diagnosing and mitigating Concept co-occurrence Biases in visual datasets. ConBias represents visual datasets as knowledge graphs of concepts, enabling meticulous analysis of spurious concept co-occurrences to uncover concept imbalances across the whole dataset. Moreover, we show that by employing a novel clique-based concept balancing strategy, we can mitigate these imbalances, leading to enhanced performance on downstream tasks. Extensive experiments show that data augmentation based on a balanced concept distribution augmented by ConBias improves generalization performance across multiple datasets compared to state-of-the-art methods.
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With the rapid development of deep learning, the increasing complexity and scale of parameters make training a new model increasingly resource-intensive. In this paper, we start from the classic convolutional neural network (CNN) and explore a paradigm that does not require training to obtain new models. Similar to the birth of CNN inspired by receptive fields in the biological visual system, we draw inspiration from the information subsystem pathways in the biological visual system and propose Model Disassembling and Assembling (MDA). During model disassembling, we introduce the concept of relative contribution and propose a component locating technique to extract task-aware components from trained CNN classifiers. For model assembling, we present the alignment padding strategy and parameter scaling strategy to construct a new model tailored for a specific task, utilizing the disassembled task-aware components. The entire process is akin to playing with LEGO bricks, enabling arbitrary assembly of new models, and providing a novel perspective for model creation and reuse. Extensive experiments showcase that task-aware components disassembled from CNN classifiers or new models assembled using these components closely match or even surpass the performance of the baseline, demonstrating its promising results for model reuse. Furthermore, MDA exhibits diverse potential applications, with comprehensive experiments exploring model decision route analysis, model compression, knowledge distillation, and more.
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Generalization remains a central challenge in machine learning. In this work, we propose *Learning from Teaching* (**LoT**), a novel regularization technique for deep neural networks to enhance generalization. Inspired by the human ability to capture concise and abstract patterns, we hypothesize that generalizable correlations are expected to be easier to imitate. LoT operationalizes this concept to improve the generalization of the main model with auxiliary student learners. The student learners are trained by the main model and, in turn, provide feedback to help the main model capture more generalizable and imitable correlations. Our experimental results across several domains, including Computer Vision, Natural Language Processing, and methodologies like Reinforcement Learning, demonstrate that the introduction of LoT brings significant benefits compared to training models on the original dataset. The results suggest the effectiveness and efficiency of LoT in identifying generalizable information at the right scales while discarding spurious data correlations, thus making LoT a valuable addition to current machine learning. Code is available at https://github.com/jincan333/LoT.
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While fine-tuning pretrained models has become common practice, these models often underperform outside their specific domains. Recently developed model merging techniques enable the direct integration of multiple models, each fine-tuned for distinct tasks, into a single model. This strategy promotes multitasking capabilities without requiring retraining on the original datasets. However, existing methods fall short in addressing potential conflicts and complex correlations between tasks, especially in parameter-level adjustments, posing a challenge in effectively balancing parameter competition across various tasks. This paper introduces an innovative technique named **PCB-Merging** (Parameter Competition Balancing), a *lightweight* and *training-free* technique that adjusts the coefficients of each parameter for effective model merging. PCB-Merging employs intra-balancing to gauge parameter significance within individual tasks and inter-balancing to assess parameter similarities across different tasks. Parameters with low importance scores are dropped, and the remaining ones are rescaled to form the final merged model. We assessed our approach in diverse merging scenarios, including cross-task, cross-domain, and cross-training configurations, as well as out-of-domain generalization. The experimental results reveal that our approach achieves substantial performance enhancements across multiple modalities, domains, model sizes, number of tasks, fine-tuning forms, and large language models, outperforming existing model merging methods.
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Learners sharing similar implicit cognitive states often display comparable observable problem-solving performances. Leveraging collaborative connections among such similar learners proves valuable in comprehending human learning. Motivated by the success of collaborative modeling in various domains, such as recommender systems, we aim to investigate how collaborative signals among learners contribute to the diagnosis of human cognitive states (i.e., knowledge proficiency) in the context of intelligent education. The primary challenges lie in identifying implicit collaborative connections and disentangling the entangled cognitive factors of learners for improved explainability and controllability in learner Cognitive Diagnosis (CD). However, there has been no work on CD capable of simultaneously modeling collaborative and disentangled cognitive states. To address this gap, we present Coral, a $\underline{Co}$llabo$\underline{ra}$tive cognitive diagnosis model with disentang$\underline{l}$ed representation learning. Specifically, Coral first introduces a disentangled state encoder to achieve the initial disentanglement of learners' states. Subsequently, a meticulously designed collaborative representation learning procedure captures collaborative signals. It dynamically constructs a collaborative graph of learners by iteratively searching for optimal neighbors in a context-aware manner. Using the constructed graph, collaborative information is extracted through node representation learning. Finally, a decoding process aligns the initial cognitive states and collaborative states, achieving co-disentanglement with practice performance reconstructions. Extensive experiments demonstrate the superior performance of Coral, showcasing significant improvements over state-of-the-art methods across several real-world datasets. Our code is available at https://github.com/bigdata-ustc/Coral.
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We propose an unsupervised adaptation framework, Self-TAught Recognizer (STAR), which leverages unlabeled data to enhance the robustness of automatic speech recognition (ASR) systems in diverse target domains, such as noise and accents. STAR is developed for prevalent speech foundation models based on Transformer-related architecture with auto-regressive decoding (e.g., Whisper, Canary). Specifically, we propose a novel indicator that empirically integrates step-wise information during decoding to assess the token-level quality of pseudo labels without ground truth, thereby guiding model updates for effective unsupervised adaptation. Experimental results show that STAR achieves an average of 13.5% relative reduction in word error rate across 14 target domains, and it sometimes even approaches the upper-bound performance of supervised adaptation. Surprisingly, we also observe that STAR prevents the adapted model from the common catastrophic forgetting problem without recalling source-domain data. Furthermore, STAR exhibits high data efficiency that only requires less than one-hour unlabeled data, and seamless generality to alternative large speech models and speech translation tasks. Our code aims to open source to the research communities.
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Deep neural networks (DNNs) often suffer from the overconfidence issue, where incorrect predictions are made with high confidence scores, hindering the applications in critical systems. In this paper, we propose a novel approach called Typicalness-Aware Learning (TAL) to address this issue and improve failure detection performance. We observe that, with the cross-entropy loss, model predictions are optimized to align with the corresponding labels via increasing logit magnitude or refining logit direction. However, regarding atypical samples, the image content and their labels may exhibit disparities. This discrepancy can lead to overfitting on atypical samples, ultimately resulting in the overconfidence issue that we aim to address. To address this issue, we have devised a metric that quantifies the typicalness of each sample, enabling the dynamic adjustment of the logit magnitude during the training process. By allowing relatively atypical samples to be adequately fitted while preserving reliable logit direction, the problem of overconfidence can be mitigated. TAL has been extensively evaluated on benchmark datasets, and the results demonstrate its superiority over existing failure detection methods. Specifically, TAL achieves a more than 5\% improvement on CIFAR100 in terms of the Area Under the Risk-Coverage Curve (AURC) compared to the state-of-the-art. Code is available at https://github.com/liuyijungoon/TAL.
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Unsupervised skill discovery is a learning paradigm that aims to acquire diverse behaviors without explicit rewards. However, it faces challenges in learning complex behaviors and often leads to learning unsafe or undesirable behaviors. For instance, in various continuous control tasks, current unsupervised skill discovery methods succeed in learning basic locomotions like standing but struggle with learning more complex movements such as walking and running. Moreover, they may acquire unsafe behaviors like tripping and rolling or navigate to undesirable locations such as pitfalls or hazardous areas. In response, we present **DoDont** (Do’s and Dont’s), an instruction-based skill discovery algorithm composed of two stages. First, in instruction learning stage, DoDont leverages action-free instruction videos to train an instruction network to distinguish desirable transitions from undesirable ones. Then, in the skill learning stage, the instruction network adjusts the reward function of the skill discovery algorithm to weight the desired behaviors. Specifically, we integrate the instruction network into a distance-maximizing skill discovery algorithm, where the instruction network serves as the distance function. Empirically, with less than 8 instruction videos, DoDont effectively learns desirable behaviors and avoids undesirable ones across complex continuous control tasks. Code and videos are available at https://mynsng.github.io/dodont/
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We consider the task of minimizing the sum of convex functions stored in a decentralized manner across the nodes of a communication network. This problem is relatively well-studied in the scenario when the objective functions are smooth, or the links of the network are fixed in time, or both. In particular, lower bounds on the number of decentralized communications and (sub)gradient computations required to solve the problem have been established, along with matching optimal algorithms. However, the remaining and most challenging setting of non-smooth decentralized optimization over time-varying networks is largely underexplored, as neither lower bounds nor optimal algorithms are known in the literature. We resolve this fundamental gap with the following contributions: (i) we establish the first lower bounds on the communication and subgradient computation complexities of solving non-smooth convex decentralized optimization problems over time-varying networks; (ii) we develop the first optimal algorithm that matches these lower bounds and offers substantially improved theoretical performance compared to the existing state of the art.
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When machine learning systems face dataset shift, model calibration plays a pivotal role in ensuring their reliability. Calibration error (CE) provides insights into the alignment between the predicted confidence scores and the classifier accuracy. While prior works have delved into the implications of dataset shift on calibration, existing CE estimators either (i) assume access to labeled data from the target domain, often unavailable in practice, or (ii) are derived under a covariate shift assumption. In this work we propose a novel, label-free, consistent CE estimator under label shift. Label shift is characterized by changes in the marginal label distribution p(Y), with a constant conditional p(X|Y) distribution between the source and target. We introduce a novel calibration method, called LaSCal, which uses the estimator in conjunction with a post-hoc calibration strategy, to perform unsupervised calibration on the target distribution. Our thorough empirical analysis demonstrates the effectiveness and reliability of the proposed approach across different modalities, model architectures and label shift intensities.
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Diffusion models have demonstrated great success in text-to-video (T2V) generation. However, existing methods may face challenges when handling complex (long) video generation scenarios that involve multiple objects or dynamic changes in object numbers. To address these limitations, we propose VideoTetris, a novel framework that enables compositional T2V generation. Specifically, we propose spatio-temporal compositional diffusion to precisely follow complex textual semantics by manipulating and composing the attention maps of denoising networks spatially and temporally. Moreover, we propose a new dynamic-aware data processing pipeline and a consistency regularization method to enhance the consistency of auto-regressive video generation. Extensive experiments demonstrate that our VideoTetris achieves impressive qualitative and quantitative results in compositional T2V generation. Code is available at: https://github.com/YangLing0818/VideoTetris
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Graph Neural Networks have achieved remarkable accuracy in semi-supervised node classification tasks. However, these results lack reliable uncertainty estimates. Conformal prediction methods provide a theoretical guarantee for node classification tasks, ensuring that the conformal prediction set contains the ground-truth label with a desired probability (e.g., 95\%). In this paper, we empirically show that for each node, aggregating the non-conformity scores of nodes with the same label can improve the efficiency of conformal prediction sets while maintaining valid marginal coverage. This observation motivates us to propose a novel algorithm named $\textit{Similarity-Navigated Adaptive Prediction Sets}$ (SNAPS), which aggregates the non-conformity scores based on feature similarity and structural neighborhood. The key idea behind SNAPS is that nodes with high feature similarity or direct connections tend to have the same label. By incorporating adaptive similar nodes information, SNAPS can generate compact prediction sets and increase the singleton hit ratio (correct prediction sets of size one). Moreover, we theoretically provide a finite-sample coverage guarantee of SNAPS. Extensive experiments demonstrate the superiority of SNAPS, improving the efficiency of prediction sets and singleton hit ratio while maintaining valid coverage.
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We study theoretical properties of a broad class of regularized algorithms with vector-valued output. These spectral algorithms include kernel ridge regression, kernel principal component regression and various implementations of gradient descent. Our contributions are twofold. First, we rigorously confirm the so-called saturation effect for ridge regression with vector-valued output by deriving a novel lower bound on learning rates; this bound is shown to be suboptimal when the smoothness of the regression function exceeds a certain level. Second, we present an upper bound on the finite sample risk for general vector-valued spectral algorithms, applicable to both well-specified and misspecified scenarios (where the true regression function lies outside of the hypothesis space), and show that this bound is minimax optimal in various regimes. All of our results explicitly allow the case of infinite-dimensional output variables, proving consistency of recent practical applications.
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Scientific hypotheses typically concern specific aspects of complex, imperfectly understood or entirely unknown mechanisms, such as the effect of gene expression levels on phenotypes or how microbial communities influence environmental health. Such queries are inherently causal (rather than purely associational), but in many settings, experiments can not be conducted directly on the target variables of interest, but are indirect. Therefore, they perturb the target variable, but do not remove potential confounding factors. If, additionally, the resulting experimental measurements are high-dimensional and the studied mechanisms nonlinear, the query of interest is generally not identified. We develop an adaptive strategy to design indirect experiments that optimally inform a targeted query about the ground truth mechanism in terms of sequentially narrowing the gap between an upper and lower bound on the query. While the general formulation consists of a bi-level optimization procedure, we derive an efficiently estimable analytical kernel-based estimator of the bounds for the causal effect, a query of key interest, and demonstrate the efficacy of our approach in confounded, multivariate, nonlinear synthetic settings.
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The task of distinguishing individuals of interest from a vast pool of candidates using predictive models has garnered significant attention in recent years. This task can be framed as a *conformalized multiple testing* procedure, which aims at quantifying prediction uncertainty by controlling the false discovery rate (FDR) via conformal inference. In this paper, we tackle the challenge of conformalized multiple testing after data-dependent selection procedures. To guarantee the construction of valid test statistics that accurately capture the distorted distribution resulting from the selection process, we leverage a holdout labeled set to closely emulate the selective distribution. Our approach involves adaptively picking labeled data to create a calibration set based on the stability of the selection rule. This strategy ensures that the calibration data and the selected test unit are exchangeable, allowing us to develop valid conformal p-values. Implementing with the famous Benjamini-Hochberg (BH) procedure, it effectively controls the FDR over the selected subset. To handle the randomness of the selected subset and the dependence among the constructed p-values, we establish a unified theoretical framework. This framework extends the application of conformalized multiple testing to complex selective settings. Furthermore, we conduct numerical studies to showcase the effectiveness and validity of our procedures across various scenarios.
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Equivariant Graph Neural Networks (GNNs) that incorporate E(3) symmetry have achieved significant success in various scientific applications. As one of the most successful models, EGNN leverages a simple scalarization technique to perform equivariant message passing over only Cartesian vectors (i.e., 1st-degree steerable vectors), enjoying greater efficiency and efficacy compared to equivariant GNNs using higher-degree steerable vectors. This success suggests that higher-degree representations might be unnecessary. In this paper, we disprove this hypothesis by exploring the expressivity of equivariant GNNs on symmetric structures, including $k$-fold rotations and regular polyhedra. We theoretically demonstrate that equivariant GNNs will always degenerate to a zero function if the degree of the output representations is fixed to 1 or other specific values. Based on this theoretical insight, we propose HEGNN, a high-degree version of EGNN to increase the expressivity by incorporating high-degree steerable vectors while maintaining EGNN's efficiency through the scalarization trick. Our extensive experiments demonstrate that HEGNN not only aligns with our theoretical analyses on toy datasets consisting of symmetric structures, but also shows substantial improvements on more complicated datasets such as $N$-body and MD17. Our theoretical findings and empirical results potentially open up new possibilities for the research of equivariant GNNs.
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Rubinfeld \& Vasilyan recently introduced the framework of *testable learning* as an extension of the classical agnostic model. It relaxes distributional assumptions which are difficult to verify by conditions that can be checked efficiently by a *tester*. The tester has to accept whenever the data truly satisfies the original assumptions, and the learner has to succeed whenever the tester accepts. We focus on the setting where the tester has to accept standard Gaussian data. There, it is known that basic concept classes such as halfspaces can be learned testably with the same time complexity as in the (distribution-specific) agnostic model. In this work, we ask whether there is a price to pay for testably learning more complex concept classes. In particular, we consider polynomial threshold functions (PTFs), which naturally generalize halfspaces. We show that PTFs of arbitrary constant degree can be testably learned up to excess error $\varepsilon > 0$ in time $n^{\mathrm{poly}(1/\varepsilon)}$. This qualitatively matches the best known guarantees in the agnostic model. Our results build on a connection between testable learning and *fooling*. In particular, we show that distributions that approximately match at least $\mathrm{poly}(1/\varepsilon)$ moments of the standard Gaussian fool constant-degree PTFs (up to error $\varepsilon$). As a secondary result, we prove that a direct approach to show testable learning (without fooling), which was successfully used for halfspaces, cannot work for PTFs.
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Accurate estimation of human pose and the pose of interacting objects, like a hockey stick, is crucial for action recognition and performance analysis, particularly in sports. Existing methods capture the object along with the human in the bounding boxes, assuming all keypoints are visible within the bounding box. This necessitates larger bounding boxes to capture the object, introducing unnecessary visual features and hindering performance in real-world cluttered environments. We propose a simple image and text-based multimodal solution TokenCLIPose that addresses this limitation. Our approach focuses solely on human keypoints within the bounding box, treating objects as unseen. TokenCLIPose leverages the rich semantic representations endowed by language for inducing keypoint-specific context, even for occluded keypoints. We evaluate the performance of TokenCLIPose on a real-world Ice-Hockey dataset, and demonstrate its generalizability through zero-shot transfer to a smaller Lacrosse dataset. Additionally, we showcase its flexibility on CrowdPose, a popular occlusion benchmark with keypoints within the bounding box. Our method significantly improves over state-of-the-art approaches on all three datasets, with gains of 4.36\%, 2.35\%, and 3.8\%, respectively.
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Prior Unsupervised Domain Adaptation (UDA) methods often aim to train a domain-invariant feature extractor, which may hinder the model from learning sufficiently discriminative features. To tackle this, a line of works based on prompt learning leverages the power of large-scale pre-trained vision-language models to learn both domain-invariant and specific features through a set of domain-agnostic and domain-specific learnable prompts. Those studies typically enforce invariant constraints on representation, output, or prompt space to learn such prompts. Differently, we cast UDA as a multiple-objective optimization problem in which each objective is represented by a domain loss. Under this new framework, we propose aligning per-objective gradients to foster consensus between them. Additionally, to prevent potential overfitting when fine-tuning this deep learning architecture, we penalize the norm of these gradients. To achieve these goals, we devise a practical gradient update procedure that can work under both single-source and multi-source UDA. Empirically, our method consistently surpasses other vision language model adaptation methods by a large margin on a wide range of benchmarks. The implementation is available at https://github.com/VietHoang1512/PGA.
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The secretary problem is one of the fundamental problems in online decision making; a tight competitive ratio for this problem of $1/e \approx 0.368$ has been known since the 1960s. Much more recently, the study of algorithms with predictions was introduced: The algorithm is equipped with a (possibly erroneous) additional piece of information upfront which can be used to improve the algorithm's performance. Complementing previous work on secretary problems with prior knowledge, we tackle the following question: _What is the weakest piece of information that allows us to break the $1/e$ barrier?_ To this end, we introduce the secretary problem with predicted additive gap. As in the classical problem, weights are fixed by an adversary and elements appear in random order. In contrast to previous variants of predictions, our algorithm only has access to a much weaker piece of information: an _additive gap_ $c$. This gap is the difference between the highest and $k$-th highest weight in the sequence. Unlike previous pieces of advice, knowing an exact additive gap does not make the problem trivial. Our contribution is twofold. First, we show that for any index $k$ and any gap $c$, we can obtain a competitive ratio of $0.4$ when knowing the exact gap (even if we do not know $k$), hence beating the prevalent bound for the classical problem by a constant. Second, a slightly modified version of our algorithm allows to prove standard robustness-consistency properties as well as improved guarantees when knowing a range for the error of the prediction.
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Collaborative robots and machine learning-based virtual agents are increasingly entering the human workspace with the aim of increasing productivity and enhancing safety. Despite this, we show in a ubiquitous experimental domain, Overcooked-AI, that state-of-the-art techniques for human-machine teaming (HMT), which rely on imitation or reinforcement learning, are brittle and result in a machine agent that aims to decouple the machine and human’s actions to act independently rather than in a synergistic fashion. To remedy this deficiency, we develop HMT approaches that enable iterative, mixed-initiative team development allowing end-users to interactively reprogram interpretable AI teammates. Our 50-subject study provides several findings that we summarize into guidelines. While all approaches underperform a simple collaborative heuristic (a critical, negative result for learning-based methods), we find that white-box approaches supported by interactive modification can lead to significant team development, outperforming white-box approaches alone, and that black-box approaches are easier to train and result in better HMT performance highlighting a tradeoff between explainability and interactivity versus ease-of-training. Together, these findings present three important future research directions: 1) Improving the ability to generate collaborative agents with white-box models, 2) Better learning methods to facilitate collaboration rather than individualized coordination, and 3) Mixed-initiative interfaces that enable users, who may vary in ability, to improve collaboration.
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Deep neural networks (DNNs) exhibit a surprising structure in their final layer known as neural collapse (NC), and a growing body of works is currently investigated the propagation of neural collapse to earlier layers of DNNs -- a phenomenon called deep neural collapse (DNC). However, existing theoretical results are restricted to either linear models, the last two layers or binary classification. In contrast, we focus on non-linear models of arbitrary depth in multi-class classification and reveal a surprising qualitative shift. As soon as we go beyond two layers or two classes, DNC stops being optimal for the deep unconstrained features model (DUFM) -- the standard theoretical framework for the analysis of collapse. The main culprit is the low-rank bias of multi-layer regularization schemes. This bias leads to optimal solutions of even lower rank than the neural collapse. We support our theoretical findings with experiments on both DUFM and real data, which show the emergence of the low-rank structure in the solution found by gradient descent.
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While the continuous Entropic Optimal Transport (EOT) field has been actively developing in recent years, it became evident that the classic EOT problem is prone to different issues like the sensitivity to outliers and imbalance of classes in the source and target measures. This fact inspired the development of solvers that deal with the *unbalanced* EOT (UEOT) problem $-$ the generalization of EOT allowing for mitigating the mentioned issues by relaxing the marginal constraints. Surprisingly, it turns out that the existing solvers are either based on heuristic principles or heavy-weighted with complex optimization objectives involving several neural networks. We address this challenge and propose a novel theoretically-justified, lightweight, unbalanced EOT solver. Our advancement consists of developing a novel view on the optimization of the UEOT problem yielding tractable and a non-minimax optimization objective. We show that combined with a light parametrization recently proposed in the field our objective leads to a fast, simple, and effective solver which allows solving the continuous UEOT problem in minutes on CPU. We prove that our solver provides a universal approximation of UEOT solutions and obtain its generalization bounds. We give illustrative examples of the solver's performance.
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Beyond estimating parameters of interest from data, one of the key goals of statistical inference is to properly quantify uncertainty in these estimates. In Bayesian inference, this uncertainty is provided by the posterior distribution, the computation of which typically involves an intractable high-dimensional integral. Among available approximation methods, sampling-based approaches come with strong theoretical guarantees but scale poorly to large problems, while variational approaches scale well but offer few theoretical guarantees. In particular, variational methods are known to produce overconfident estimates of posterior uncertainty and are typically non-identifiable, with many latent variable configurations generating equivalent predictions. Here, we address these challenges by showing how diffusion-based models (DBMs), which have recently produced state-of-the-art performance in generative modeling tasks, can be repurposed for performing calibrated, identifiable Bayesian inference. By exploiting a previously established connection between the stochastic and probability flow ordinary differential equations (pfODEs) underlying DBMs, we derive a class of models, \emph{inflationary flows,} that uniquely and deterministically map high-dimensional data to a lower-dimensional Gaussian distribution via ODE integration. This map is both invertible and neighborhood-preserving, with controllable numerical error, with the result that uncertainties in the data are correctly propagated to the latent space. We demonstrate how such maps can be learned via standard DBM training using a novel noise schedule and are effective at both preserving and reducing intrinsic data dimensionality. The result is a class of highly expressive generative models, uniquely defined on a low-dimensional latent space, that afford principled Bayesian inference.
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Video-to-audio (V2A) generation aims to synthesize content-matching audio from silent video, and it remains challenging to build V2A models with high generation quality, efficiency, and visual-audio temporal synchrony. We propose Frieren, a V2A model based on rectified flow matching. Frieren regresses the conditional transport vector field from noise to spectrogram latent with straight paths and conducts sampling by solving ODE, outperforming autoregressive and score-based models in terms of audio quality. By employing a non-autoregressive vector field estimator based on a feed-forward transformer and channel-level cross-modal feature fusion with strong temporal alignment, our model generates audio that is highly synchronized with the input video. Furthermore, through reflow and one-step distillation with guided vector field, our model can generate decent audio in a few, or even only one sampling step. Experiments indicate that Frieren achieves state-of-the-art performance in both generation quality and temporal alignment on VGGSound, with alignment accuracy reaching 97.22\%, and 6.2\% improvement in inception score over the strong diffusion-based baseline. Audio samples and code are available at http://frieren-v2a.github.io.
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As the volume of data invested in statistical learning increases and concerns regarding privacy grow, the privacy leakage issue has drawn significant attention. Differential privacy has emerged as a widely accepted concept capable of mitigating privacy concerns, and numerous differentially private (DP) versions of machine learning algorithms have been developed. However, existing works on DP kernel learning algorithms have exhibited practical limitations, including scalability, restricted choice of kernels, or dependence on test data availability. We propose DP scalable kernel empirical risk minimization (ERM) algorithms and a DP kernel mean embedding (KME) release algorithm suitable for general kernels. Our approaches address the shortcomings of previous algorithms by employing Nyström methods, classical techniques in non-private scalable kernel learning. These methods provide data-dependent low-rank approximations of the kernel matrix for general kernels in a DP manner. We present excess empirical risk bounds and computational complexities for the scalable kernel DP ERM, KME algorithms, contrasting them with established methodologies. Furthermore, we develop a private data-generating algorithm capable of learning diverse kernel models. We conduct experiments to demonstrate the performance of our algorithms, comparing them with existing methods to highlight their superiority.
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Class-agnostic object detection (OD) can be a cornerstone or a bottleneck for many downstream vision tasks. Despite considerable advancements in bottom-up and multi-object discovery methods that leverage basic visual cues to identify salient objects, consistently achieving a high recall rate remains difficult due to the diversity of object types and their contextual complexity. In this work, we investigate using vision-language models (VLMs) to enhance object detection via a self-supervised prompt learning strategy. Our initial findings indicate that manually crafted text queries often result in undetected objects, primarily because detection confidence diminishes when the query words exhibit semantic overlap. To address this, we propose a Dispersing Prompt Expansion (DiPEx) approach. DiPEx progressively learns to expand a set of distinct, non-overlapping hyperspherical prompts to enhance recall rates, thereby improving performance in downstream tasks such as out-of-distribution OD. Specifically, DiPEx initiates the process by self-training generic parent prompts and selecting the one with the highest semantic uncertainty for further expansion. The resulting child prompts are expected to inherit semantics from their parent prompts while capturing more fine-grained semantics. We apply dispersion losses to ensure high inter-class discrepancy among child prompts while preserving semantic consistency between parent-child prompt pairs. To prevent excessive growth of the prompt sets, we utilize the maximum angular coverage (MAC) of the semantic space as a criterion for early termination. We demonstrate the effectiveness of DiPEx through extensive class-agnostic OD and OOD-OD experiments on MS-COCO and LVIS, surpassing other prompting methods by up to 20.1% in AR and achieving a 21.3% AP improvement over SAM.
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Data heterogeneity is one of the key challenges in federated learning, and many efforts have been devoted to tackling this problem. However, distributed concept drift with data heterogeneity, where clients may additionally experience different concept drifts, is a largely unexplored area. In this work, we focus on real drift, where the conditional distribution $P(\mathcal{Y}|\mathcal{X})$ changes. We first study how distributed concept drift affects the model training and find that local classifier plays a critical role in drift adaptation. Moreover, to address data heterogeneity, we study the feature alignment under distributed concept drift, and find two factors that are crucial for feature alignment: the conditional distribution $P(\mathcal{Y}|\mathcal{X})$ and the degree of data heterogeneity. Motivated by the above findings, we propose FedCCFA, a federated learning framework with classifier clustering and feature alignment. To enhance collaboration under distributed concept drift, FedCCFA clusters local classifiers at class-level and generates clustered feature anchors according to the clustering results. Assisted by these anchors, FedCCFA adaptively aligns clients' feature spaces based on the entropy of label distribution $P(\mathcal{Y})$, alleviating the inconsistency in feature space. Our results demonstrate that FedCCFA significantly outperforms existing methods under various concept drift settings. Code is available at https://github.com/Chen-Junbao/FedCCFA.
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Despite spiking neural networks (SNNs) have demonstrated notable energy efficiency across various fields, the limited firing patterns of spiking neurons within fixed time steps restrict the expression of information, which impedes further improvement of SNN performance. In addition, current implementations of SNNs typically consider the firing rate or average membrane potential of the last layer as the output, lacking exploration of other possibilities. In this paper, we identify that the limited spike patterns of spiking neurons stem from the initial membrane potential (IMP), which is set to 0. By adjusting the IMP, the spiking neurons can generate additional firing patterns and pattern mappings. Furthermore, we find that in static tasks, the accuracy of SNNs at each time step increases as the membrane potential evolves from zero. This observation inspires us to propose a learnable IMP, which can accelerate the evolution of membrane potential and enables higher performance within a limited number of time steps. Additionally, we introduce the last time step (LTS) approach to accelerate convergence in static tasks, and we propose a label smooth temporal efficient training (TET) loss to mitigate the conflicts between optimization objective and regularization term in the vanilla TET. Our methods improve the accuracy by 4.05\% on ImageNet compared to baseline and achieve state-of-the-art performance of 87.80\% on CIFAR10-DVS and 87.86\% on N-Caltech101.
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Diffusion distillation represents a highly promising direction for achieving faithful text-to-image generation in a few sampling steps. However, despite recent successes, existing distilled models still do not provide the full spectrum of diffusion abilities, such as real image inversion, which enables many precise image manipulation methods. This work aims to enrich distilled text-to-image diffusion models with the ability to effectively encode real images into their latent space. To this end, we introduce invertible Consistency Distillation (iCD), a generalized consistency distillation framework that facilitates both high-quality image synthesis and accurate image encoding in only 3-4 inference steps. Though the inversion problem for text-to-image diffusion models gets exacerbated by high classifier-free guidance scales, we notice that dynamic guidance significantly reduces reconstruction errors without noticeable degradation in generation performance. As a result, we demonstrate that iCD equipped with dynamic guidance may serve as a highly effective tool for zero-shot text-guided image editing, competing with more expensive state-of-the-art alternatives.
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The ability to promptly respond to environmental changes is crucial for the perception system of autonomous driving. Recently, a new task called streaming perception was proposed. It jointly evaluate the latency and accuracy into a single metric for video online perception. In this work, we introduce StreamDSGN, the first real-time stereo-based 3D object detection framework designed for streaming perception. StreamDSGN is an end-to-end framework that directly predicts the 3D properties of objects in the next moment by leveraging historical information, thereby alleviating the accuracy degradation of streaming perception. Further, StreamDSGN applies three strategies to enhance the perception accuracy: (1) A feature-flow-based fusion method, which generates a pseudo-next feature at the current moment to address the misalignment issue between feature and ground truth. (2) An extra regression loss for explicit supervision of object motion consistency in consecutive frames. (3) A large kernel backbone with a large receptive field for effectively capturing long-range spatial contextual features caused by changes in object positions. Experiments on the KITTI Tracking dataset show that, compared with the strong baseline, StreamDSGN significantly improves the streaming average precision by up to 4.33%. Our code is available at https://github.com/weiyangdaren/streamDSGN-pytorch.
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Transformer-based Diffusion Probabilistic Models (DPMs) have shown more potential than CNN-based DPMs, yet their extensive computational requirements hinder widespread practical applications. To reduce the computation budget of transformer-based DPMs, this work proposes the Efficient Diffusion Transformer (EDT) framework. This framework includes a lightweight-design diffusion model architecture, and a training-free Attention Modulation Matrix and its alternation arrangement in EDT inspired by human-like sketching. Additionally, we propose a token relation-enhanced masking training strategy tailored explicitly for EDT to augment its token relation learning capability. Our extensive experiments demonstrate the efficacy of EDT. The EDT framework reduces training and inference costs and surpasses existing transformer-based diffusion models in image synthesis performance, thereby achieving a significant overall enhancement. With lower FID, EDT-S, EDT-B, and EDT-XL attained speed-ups of 3.93x, 2.84x, and 1.92x respectively in the training phase, and 2.29x, 2.29x, and 2.22x respectively in inference, compared to the corresponding sizes of MDTv2. Our code is available at https://github.com/xinwangChen/EDT.
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The increased adoption of Internet of Things (IoT) devices has led to the generation of large data streams with applications in healthcare, sustainability, and robotics. In some cases, deep neural networks have been deployed directly on these resource-constrained units to limit communication overhead, increase efficiency and privacy, and enable real-time applications. However, a common challenge in this setting is the continuous adaptation of models necessary to accommodate changing environments, i.e., data distribution shifts. Test-time adaptation (TTA) has emerged as one potential solution, but its validity has yet to be explored in resource-constrained hardware settings, such as those involving microcontroller units (MCUs). TTA on constrained devices generally suffers from i) memory overhead due to the full backpropagation of a large pre-trained network, ii) lack of support for normalization layers on MCUs, and iii) either memory exhaustion with large batch sizes required for updating or poor performance with small batch sizes. In this paper, we propose TinyTTA, to enable, for the first time, efficient TTA on constrained devices with limited memory. To address the limited memory constraints, we introduce a novel self-ensemble and batch-agnostic early-exit strategy for TTA, which enables continuous adaptation with small batch sizes for reduced memory usage, handles distribution shifts, and improves latency efficiency. Moreover, we develop the TinyTTA Engine, a first-of-its-kind MCU library that enables on-device TTA. We validate TinyTTA on a Raspberry Pi Zero 2W and an STM32H747 MCU. Experimental results demonstrate that TinyTTA improves TTA accuracy by up to 57.6\%, reduces memory usage by up to six times, and achieves faster and more energy-efficient TTA. Notably, TinyTTA is the only framework able to run TTA on MCU STM32H747 with a 512 KB memory constraint while maintaining high performance.
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We present variational inference with sequential sample-average approximations (VISA), a method for approximate inference in computationally intensive models, such as those based on numerical simulations. VISA extends importance-weighted forward-KL variational inference by employing a sequence of sample-average approximations, which are considered valid inside a trust region. This makes it possible to reuse model evaluations across multiple gradient steps, thereby reducing computational cost. We perform experiments on high-dimensional Gaussians, Lotka-Volterra dynamics, and a Pickover attractor, which demonstrate that VISA can achieve comparable approximation accuracy to standard importance-weighted forward-KL variational inference with computational savings of a factor two or more for conservatively chosen learning rates.
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Knowing the learning dynamics of policy is significant to unveiling the mysteries of Reinforcement Learning (RL). It is especially crucial yet challenging to Deep RL, from which the remedies to notorious issues like sample inefficiency and learning instability could be obtained. In this paper, we study how the policy networks of typical DRL agents evolve during the learning process by empirically investigating several kinds of temporal change for each policy parameter. In popular MuJoCo and DeepMind Control Suite (DMC) environments, we find common phenomena for TD3 and RAD agents: (1) the activity of policy network parameters is highly asymmetric and policy networks advance monotonically along a very limited number of major parameter directions; (2) severe detours occur in parameter update and harmonic-like changes are observed for all minor parameter directions. By performing a novel temporal SVD along the policy learning path, the major and minor parameter directions are identified as the columns of the right unitary matrix associated with dominant and insignificant singular values respectively. Driven by the discoveries above, we propose a simple and effective method, called Policy Path Trimming and Boosting (PPTB), as a general plug-in improvement to DRL algorithms. The key idea of PPTB is to trim the policy learning path by canceling the policy updates in minor parameter directions, and boost the learning path by encouraging the advance in major directions. In experiments, we demonstrate that our method improves the learning performance of TD3, RAD, and DoubleDQN regarding scores and efficiency in MuJoCo, DMC, and MinAtar tasks respectively.
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Allocation tasks represent a class of problems where a limited amount of resources must be allocated to a set of entities at each time step. Prominent examples of this task include portfolio optimization or distributing computational workloads across servers. Allocation tasks are typically bound by linear constraints describing practical requirements that have to be strictly fulfilled at all times. In portfolio optimization, for example, investors may be obligated to allocate less than 30\% of the funds into a certain industrial sector in any investment period. Such constraints restrict the action space of allowed allocations in intricate ways, which makes learning a policy that avoids constraint violations difficult. In this paper, we propose a new method for constrained allocation tasks based on an autoregressive process to sequentially sample allocations for each entity. In addition, we introduce a novel de-biasing mechanism to counter the initial bias caused by sequential sampling. We demonstrate the superior performance of our approach compared to a variety of Constrained Reinforcement Learning (CRL) methods on three distinct constrained allocation tasks: portfolio optimization, computational workload distribution, and a synthetic allocation benchmark. Our code is available at: https://github.com/niklasdbs/paspo
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Learning a generalist embodied agent capable of completing multiple tasks poses challenges, primarily stemming from the scarcity of action-labeled robotic datasets. In contrast, a vast amount of human videos exist, capturing intricate tasks and interactions with the physical world. Promising prospects arise for utilizing actionless human videos for pre-training and transferring the knowledge to facilitate robot policy learning through limited robot demonstrations. However, it remains a challenge due to the domain gap between humans and robots. Moreover, it is difficult to extract useful information representing the dynamic world from human videos, because of its noisy and multimodal data structure. In this paper, we introduce a novel framework to tackle these challenges, which leverages a unified discrete diffusion to combine generative pre-training on human videos and policy fine-tuning on a small number of action-labeled robot videos. We start by compressing both human and robot videos into unified video tokens. In the pre-training stage, we employ a discrete diffusion model with a mask-and-replace diffusion strategy to predict future video tokens in the latent space. In the fine-tuning stage, we harness the imagined future videos to guide low-level action learning with a limited set of robot data. Experiments demonstrate that our method generates high-fidelity future videos for planning and enhances the fine-tuned policies compared to previous state-of-the-art approaches with superior performance.
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Diffusion models have shown great promise for image and video generation, but sampling from state-of-the-art models requires expensive numerical integration of a generative ODE. One approach for tackling this problem is rectified flows, which iteratively learn smooth ODE paths that are less susceptible to truncation error. However, rectified flows still require a relatively large number of function evaluations (NFEs). In this work, we propose improved techniques for training rectified flows, allowing them to compete with knowledge distillation methods even in the low NFE setting. Our main insight is that under realistic settings, a single iteration of the Reflow algorithm for training rectified flows is sufficient to learn nearly straight trajectories; hence, the current practice of using multiple Reflow iterations is unnecessary. We thus propose techniques to improve one-round training of rectified flows, including a U-shaped timestep distribution and LPIPS-Huber premetric. With these techniques, we improve the FID of the previous 2-rectified flow by up to 75\% in the 1 NFE setting on CIFAR-10. On ImageNet 64$\times$64, our improved rectified flow outperforms the state-of-the-art distillation methods such as consistency distillation and progressive distillation in both one-step and two-step settings and rivals the performance of improved consistency training (iCT) in FID. Code is available at https://github.com/sangyun884/rfpp.
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The challenge in object-based visual reasoning lies in generating concept representations that are both descriptive and distinct. Achieving this in an unsupervised manner requires human users to understand the model's learned concepts and, if necessary, revise incorrect ones. To address this challenge, we introduce the Neural Concept Binder (NCB), a novel framework for deriving both discrete and continuous concept representations, which we refer to as "concept-slot encodings". NCB employs two types of binding: "soft binding", which leverages the recent SysBinder mechanism to obtain object-factor encodings, and subsequent "hard binding", achieved through hierarchical clustering and retrieval-based inference. This enables obtaining expressive, discrete representations from unlabeled images. Moreover, the structured nature of NCB's concept representations allows for intuitive inspection and the straightforward integration of external knowledge, such as human input or insights from other AI models like GPT-4. Additionally, we demonstrate that incorporating the hard binding mechanism preserves model performance while enabling seamless integration into both neural and symbolic modules for complex reasoning tasks. We validate the effectiveness of NCB through evaluations on our newly introduced CLEVR-Sudoku dataset.
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Stochastic second-order methods are known to achieve fast local convergence in strongly convex optimization by relying on noisy Hessian estimates to precondition the gradient. Yet, most of these methods achieve superlinear convergence only when the stochastic Hessian noise diminishes, requiring an increase in the per-iteration cost as time progresses. Recent work in \cite{na2022hessian} addressed this issue via a Hessian averaging scheme that achieves a superlinear convergence rate without increasing the per-iteration cost. However, the considered method exhibits a slow global convergence rate, requiring up to $\tilde{\mathcal{O}}(\kappa^2)$ iterations to reach the superlinear rate of $\tilde{\mathcal{O}}((1/t)^{t/2})$, where $\kappa$ is the problem's condition number. In this paper, we propose a novel stochastic Newton proximal extragradient method that significantly improves these bounds, achieving a faster global linear rate and reaching the same fast superlinear rate in $\tilde{\mathcal{O}}(\kappa)$ iterations. We achieve this by developing a novel extension of the Hybrid Proximal Extragradient (HPE) framework, which simultaneously achieves fast global and local convergence rates for strongly convex functions with access to a noisy Hessian oracle.
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Molecular property prediction (MPP) is integral to drug discovery and material science, but often faces the challenge of data scarcity in real-world scenarios. Addressing this, few-shot molecular property prediction (FSMPP) has been developed. Unlike other few-shot tasks, FSMPP typically employs a pre-trained molecular encoder and a context-aware classifier, benefiting from molecular pre-training and molecular context information. Despite these advancements, existing methods struggle with the ineffective fine-tuning of pre-trained encoders. We attribute this issue to the imbalance between the abundance of tunable parameters and the scarcity of labeled molecules, and the lack of contextual perceptiveness in the encoders. To overcome this hurdle, we propose a parameter-efficient in-context tuning method, named Pin-Tuning. Specifically, we propose a lightweight adapter for pre-trained message passing layers (MP-Adapter) and Bayesian weight consolidation for pre-trained atom/bond embedding layers (Emb-BWC), to achieve parameter-efficient tuning while preventing over-fitting and catastrophic forgetting. Additionally, we enhance the MP-Adapters with contextual perceptiveness. This innovation allows for in-context tuning of the pre-trained encoder, thereby improving its adaptability for specific FSMPP tasks. When evaluated on public datasets, our method demonstrates superior tuning with fewer trainable parameters, improving few-shot predictive performance.
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Feint behaviors refer to a set of deceptive behaviors in a nuanced manner, which enable players to obtain temporal and spatial advantages over opponents in competitive games. Such behaviors are crucial tactics in most competitive multi-player games (e.g., boxing, fencing, basketball, motor racing, etc.). However, existing literature does not provide a comprehensive (and/or concrete) formalization for Feint behaviors, and their implications on game strategies. In this work, we introduce the first comprehensive formalization of Feint behaviors at both action-level and strategy-level, and provide concrete implementation and quantitative evaluation of them in multi-player games. The key idea of our work is to (1) allow automatic generation of Feint behaviors via Palindrome-directed templates, combine them into meaningful behavior sequences via a Dual-Behavior Model; (2) concertize the implications from our formalization of Feint on game strategies, in terms of temporal, spatial, and their collective impacts respectively; and (3) provide a unified implementation scheme of Feint behaviors in existing MARL frameworks. The experimental results show that our design of Feint behaviors can (1) greatly improve the game reward gains; (2) significantly improve the diversity of Multi-Player Games; and (3) only incur negligible overheads in terms of time consumption.
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Symmetries are prevalent in deep learning and can significantly influence the learning dynamics of neural networks. In this paper, we examine how exponential symmetries -- a broad subclass of continuous symmetries present in the model architecture or loss function -- interplay with stochastic gradient descent (SGD). We first prove that gradient noise creates a systematic motion (a ``Noether flow") of the parameters $\theta$ along the degenerate direction to a unique initialization-independent fixed point $\theta^*$. These points are referred to as the noise equilibria because, at these points, noise contributions from different directions are balanced and aligned. Then, we show that the balance and alignment of gradient noise can serve as a novel alternative mechanism for explaining important phenomena such as progressive sharpening/flattening and representation formation within neural networks and have practical implications for understanding techniques like representation normalization and warmup.
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Diffusion models have recently advanced Combinatorial Optimization (CO) as a powerful backbone for neural solvers. However, their iterative sampling process requiring denoising across multiple noise levels incurs substantial overhead. We propose to learn direct mappings from different noise levels to the optimal solution for a given instance, facilitating high-quality generation with minimal shots. This is achieved through an optimization consistency training protocol, which, for a given instance, minimizes the difference among samples originating from varying generative trajectories and time steps relative to the optimal solution. The proposed model enables fast single-step solution generation while retaining the option of multi-step sampling to trade for sampling quality, which offers a more effective and efficient alternative backbone for neural solvers. In addition, within the training-to-testing (T2T) framework, to bridge the gap between training on historical instances and solving new instances, we introduce a novel consistency-based gradient search scheme during the test stage, enabling more effective exploration of the solution space learned during training. It is achieved by updating the latent solution probabilities under objective gradient guidance during the alternation of noise injection and denoising steps. We refer to this model as Fast T2T. Extensive experiments on two popular tasks, the Traveling Salesman Problem (TSP) and Maximal Independent Set (MIS), demonstrate the superiority of Fast T2T regarding both solution quality and efficiency, even outperforming LKH given limited time budgets. Notably, Fast T2T with merely one-step generation and one-step gradient search can mostly outperform the SOTA diffusion-based counterparts that require hundreds of steps, while achieving tens of times speedup.
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Geometric graph neural networks (GNNs) have emerged as powerful tools for modeling molecular geometry. However, they encounter limitations in effectively capturing long-range interactions in large molecular systems. To address this challenge, we introduce **Neural P$^3$M**, a versatile enhancer of geometric GNNs to expand the scope of their capabilities by incorporating mesh points alongside atoms and reimaging traditional mathematical operations in a trainable manner. Neural P$^3$M exhibits flexibility across a wide range of molecular systems and demonstrates remarkable accuracy in predicting energies and forces, outperforming on benchmarks such as the MD22 dataset. It also achieves an average improvement of 22% on the OE62 dataset while integrating with various architectures. Codes are available at https://github.com/OnlyLoveKFC/Neural_P3M.
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We study episodic linear mixture MDPs with the unknown transition and adversarial rewards under full-information feedback, employing *dynamic regret* as the performance measure. We start with in-depth analyses of the strengths and limitations of the two most popular methods: occupancy-measure-based and policy-based methods. We observe that while the occupancy-measure-based method is effective in addressing non-stationary environments, it encounters difficulties with the unknown transition. In contrast, the policy-based method can deal with the unknown transition effectively but faces challenges in handling non-stationary environments. Building on this, we propose a novel algorithm that combines the benefits of both methods. Specifically, it employs (i) an *occupancy-measure-based global optimization* with a two-layer structure to handle non-stationary environments; and (ii) a *policy-based variance-aware value-targeted regression* to tackle the unknown transition. We bridge these two parts by a novel conversion. Our algorithm enjoys an $\widetilde{\mathcal{O}}(d \sqrt{H^3 K} + \sqrt{HK(H + \bar{P}_K)})$ dynamic regret, where $d$ is the feature mapping dimension, $H$ is the episode length, $K$ is the number of episodes, $\bar{P}_K$ is the non-stationarity measure. We show it is minimax optimal up to logarithmic factors by establishing a matching lower bound. To the best of our knowledge, this is the **first** work that achieves **near-optimal** dynamic regret for adversarial linear mixture MDPs with the unknown transition without prior knowledge of the non-stationarity measure.
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Anomaly detection methods typically require fully observed data for model training and inference and cannot handle incomplete data, while the missing data problem is pervasive in science and engineering, leading to challenges in many important applications such as abnormal user detection in recommendation systems and novel or anomalous cell detection in bioinformatics, where the missing rates can be higher than 30\% or even 80\%. In this work, first, we construct and evaluate a straightforward strategy, ''impute-then-detect'', via combining state-of-the-art imputation methods with unsupervised anomaly detection methods, where the training data are composed of normal samples only. We observe that such two-stage methods frequently yield imputation bias from normal data, namely, the imputation methods are inclined to make incomplete samples ''normal", where the fundamental reason is that the imputation models learned only on normal data and cannot generalize well to abnormal data in the inference stage. To address this challenge, we propose an end-to-end method that integrates data imputation with anomaly detection into a unified optimization problem. The proposed model learns to generate well-designed pseudo-abnormal samples to mitigate the imputation bias and ensure the discrimination ability of both the imputation and detection processes. Furthermore, we provide theoretical guarantees for the effectiveness of the proposed method, proving that the proposed method can correctly detect anomalies with high probability. Experimental results on datasets with manually constructed missing values and inherent missing values demonstrate that our proposed method effectively mitigates the imputation bias and surpasses the baseline methods significantly. The source code of our method is available at https://github.com/jicongfan/ImAD-Anomaly-Detection-With-Missing-Data.
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We propose ManiPose, a manifold-constrained multi-hypothesis model for human-pose 2D-to-3D lifting. We provide theoretical and empirical evidence that, due to the depth ambiguity inherent to monocular 3D human pose estimation, traditional regression models suffer from pose-topology consistency issues, which standard evaluation metrics (MPJPE, P-MPJPE and PCK) fail to assess. ManiPose addresses depth ambiguity by proposing multiple candidate 3D poses for each 2D input, each with its estimated plausibility. Unlike previous multi-hypothesis approaches, ManiPose forgoes generative models, greatly facilitating its training and usage. By constraining the outputs to lie on the human pose manifold, ManiPose guarantees the consistency of all hypothetical poses, in contrast to previous works. We showcase the performance of ManiPose on real-world datasets, where it outperforms state-of-the-art models in pose consistency by a large margin while being very competitive on the MPJPE metric.
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The spurious correlation between the background features of the image and its label arises due to that the samples labeled with the same class in the training set often co-occurs with a specific background, which will cause the encoder to extract non-semantic features for classification, resulting in poor out-of-distribution generalization performance. Although many studies have been proposed to address this challenge, the semantic and spurious features are still difficult to accurately decouple from the original image and fail to achieve high performance with deep learning models. This paper proposes a novel perspective inspired by neural collapse to solve the spurious correlation problem through the alternate execution of environment partitioning and learning semantic masks. Specifically, we propose to assign an environment to each sample by learning a local model for each environment and using maximum likelihood probability. At the same time, we require that the learned semantic mask neurally collapses to the same simplex equiangular tight frame (ETF) in each environment after being applied to the original input. We conduct extensive experiments on four datasets, and the results demonstrate that our method significantly improves out-of-distribution performance.
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Open-vocabulary part segmentation (OVPS) is an emerging research area focused on segmenting fine-grained entities using diverse and previously unseen vocabularies. Our study highlights the inherent complexities of part segmentation due to intricate boundaries and diverse granularity, reflecting the knowledge-based nature of part identification. To address these challenges, we propose PartCLIPSeg, a novel framework utilizing generalized parts and object-level contexts to mitigate the lack of generalization in fine-grained parts. PartCLIPSeg integrates competitive part relationships and attention control, alleviating ambiguous boundaries and underrepresented parts. Experimental results demonstrate that PartCLIPSeg outperforms existing state-of-the-art OVPS methods, offering refined segmentation and an advanced understanding of part relationships within images. Through extensive experiments, our model demonstrated a significant improvement over the state-of-the-art models on the Pascal-Part-116, ADE20K-Part-234, and PartImageNet datasets.
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Foundation models have made significant strides in understanding the genomic language of DNA sequences. However, previous models typically adopt the tokenization methods designed for natural language, which are unsuitable for DNA sequences due to their unique characteristics. In addition, the optimal approach to tokenize DNA remains largely under-explored, and may not be intuitively understood by humans even if discovered. To address these challenges, we introduce MxDNA, a novel framework where the model autonomously learns an effective DNA tokenization strategy through gradient decent. MxDNA employs a sparse Mixture of Convolution Experts coupled with a deformable convolution to model the tokenization process, with the discontinuous, overlapping, and ambiguous nature of meaningful genomic segments explicitly considered. On Nucleotide Transformer Benchmarks and Genomic Benchmarks, MxDNA demonstrates superior performance to existing methods with less pretraining data and time, highlighting its effectiveness. Finally, we show that MxDNA learns unique tokenization strategy distinct to those of previous methods and captures genomic functionalities at a token level during self-supervised pretraining. Our MxDNA aims to provide a new perspective on DNA tokenization, potentially offering broad applications in various domains and yielding profound insights. Code is available at https://github.com/qiaoqiaoLF/MxDNA.
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Systems with variations of the underlying generating mechanism between different contexts, i.e., different environments or internal states in which the system operates, are common in the real world, such as soil moisture regimes in Earth science. Besides understanding the shared properties of the system, in practice, the question of context-specific properties, i.e., the change in causal relationships between contexts, arises. For real-world data, contexts are often driven by system variables, e.g., precipitation highly influences soil moisture. Nevertheless, this setup needs to be studied more. To account for such endogenous contexts in causal discovery, our work proposes a constraint-based method that can efficiently discover context-specific causal graphs using an adaptive testing approach. Our approach tests conditional independence on the pooled datasets to infer the dependence between system variables, including the context, to avoid introducing selection bias. To yield context-specific insights, conditional independence is tested on context-specific data. We work out the theoretical framework for this adaptive testing approach and give a detailed discussion of the connection to structural causal models, including sufficiency assumptions, which allow to prove the soundness of our algorithm and to interpret the results causally. A simulation study to evaluate numerical properties shows that our approach behaves as expected, but also leads to a further understanding of current limitations and viable extensions.
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The emergence of Large Language Models (LLMs) has significantly advanced natural language processing, but these models often generate factually incorrect information, known as "hallucination." Initial retrieval-augmented generation (RAG) methods like the "Retrieve-Read" framework was inadequate for complex reasoning tasks. Subsequent prompt-based RAG strategies and Supervised Fine-Tuning (SFT) methods improved performance but required frequent retraining and risked altering foundational LLM capabilities. To cope with these challenges, we propose Assistant-based Retrieval-Augmented Generation (AssistRAG), integrating an intelligent information assistant within LLMs. This assistant manages memory and knowledge through tool usage, action execution, memory building, and plan specification. Using a two-phase training approach—Curriculum Assistant Learning and Reinforced Preference Optimization—AssistRAG enhances information retrieval and decision-making. Experiments show AssistRAG significantly outperforms benchmarks, especially benefiting less advanced LLMs, by providing superior reasoning capabilities and accurate responses.
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Understanding Generalizability of Diffusion Models Requires Rethinking the Hidden Gaussian Structure
In this work, we study the generalizability of diffusion models by looking into the hidden properties of the learned score functions, which are essentially a series of deep denoisers trained on various noise levels. We observe that as diffusion models transition from memorization to generalization, their corresponding nonlinear diffusion denoisers exhibit increasing linearity. This discovery leads us to investigate the linear counterparts of the nonlinear diffusion models, which are a series of linear models trained to match the function mappings of the nonlinear diffusion denoisers. Surprisingly, these linear denoisers are approximately the optimal denoisers for a multivariate Gaussian distribution characterized by the empirical mean and covariance of the training dataset. This finding implies that diffusion models have the inductive bias towards capturing and utilizing the Gaussian structure (covariance information) of the training dataset for data generation. We empirically demonstrate that this inductive bias is a unique property of diffusion models in the generalization regime, which becomes increasingly evident when the model's capacity is relatively small compared to the training dataset size. In the case that the model is highly overparameterized, this inductive bias emerges during the initial training phases before the model fully memorizes its training data. Our study provides crucial insights into understanding the notable strong generalization phenomenon recently observed in real-world diffusion models.
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Tiny machine learning (TinyML) aims to run ML models on small devices and is increasingly favored for its enhanced privacy, reduced latency, and low cost. Recently, the advent of tiny AI accelerators has revolutionized the TinyML field by significantly enhancing hardware processing power. These accelerators, equipped with multiple parallel processors and dedicated per-processor memory instances, offer substantial performance improvements over traditional microcontroller units (MCUs). However, their limited data memory often necessitates downsampling input images, resulting in accuracy degradation. To address this challenge, we propose Data channel EXtension (DEX), a novel approach for efficient CNN execution on tiny AI accelerators. DEX incorporates additional spatial information from original images into input images through patch-wise even sampling and channel-wise stacking, effectively extending data across input channels. By leveraging underutilized processors and data memory for channel extension, DEX facilitates parallel execution without increasing inference latency. Our evaluation with four models and four datasets on tiny AI accelerators demonstrates that this simple idea improves accuracy on average by 3.5%p while keeping the inference latency the same on the AI accelerator. The source code is available at https://github.com/Nokia-Bell-Labs/data-channel-extension.
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Recent research has made significant strides in aligning large language models (LLMs) with helpfulness and harmlessness. In this paper, we argue for the importance of alignment for \emph{honesty}, ensuring that LLMs proactively refuse to answer questions when they lack knowledge, while still not being overly conservative. However, a pivotal aspect of alignment for honesty involves discerning an LLM's knowledge boundaries, which demands comprehensive solutions in terms of metric development, benchmark creation, and training methodologies. We address these challenges by first establishing a precise problem definition and defining ``honesty'' inspired by the Analects of Confucius. This serves as a cornerstone for developing metrics that effectively measure an LLM's honesty by quantifying its progress post-alignment. Furthermore, we introduce a flexible training framework which is further instantiated by several efficient fine-tuning techniques that emphasize honesty without sacrificing performance on other tasks. Our extensive experiments reveal that these aligned models show a marked increase in honesty, as indicated by our proposed metrics. We open-source all relevant resources to facilitate future research at \url{https://github.com/GAIR-NLP/alignment-for-honesty}.
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Counterfactual Regret Minimization (CFR) and its variants are widely recognized as effective algorithms for solving extensive-form imperfect information games. Recently, many improvements have been focused on enhancing the convergence speed of the CFR algorithm. However, most of these variants are not applicable under Monte Carlo (MC) conditions, making them unsuitable for training in large-scale games. We introduce a new MC-based algorithm for solving extensive-form imperfect information games, called MCCFVFP (Monte Carlo Counterfactual Value-Based Fictitious Play). MCCFVFP combines CFR’s counterfactual value calculations with fictitious play’s best response strategy, leveraging the strengths of fictitious play to gain significant advantages in games with a high proportion of dominated strategies. Experimental results show that MCCFVFP achieved convergence speeds approximately 20\%$\sim$50\% faster than the most advanced MCCFR variants in games like poker and other test games.
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Recently, foundation models, particularly large language models (LLMs), have demonstrated an impressive ability to adapt to various tasks by fine-tuning diverse instruction data. Notably, federated foundation models (FedFM) emerge as a privacy preservation method to fine-tune models collaboratively under federated learning (FL) settings by leveraging many distributed datasets with non-IID data. To alleviate communication and computation overhead, parameter-efficient methods are introduced for efficiency, and some research adapted personalization methods to FedFM for better user preferences alignment. However, a critical gap in existing research is the neglect of test-time distribution shifts in real-world applications, and conventional methods for test-time distribution shifts in personalized FL are less effective for FedFM due to their failure to adapt to complex distribution shift scenarios and the requirement to train all parameters. To bridge this gap, we refine the setting in FedFM, termed test-time personalization, which aims to learn personalized federated foundation models on clients while effectively handling test-time distribution shifts simultaneously. To address challenges in this setting, we explore a simple yet effective solution, a Federated Dual-Personalizing Adapter (FedDPA) architecture. By co-working with a foundation model, a global adapter and a local adapter jointly tackle the test-time distribution shifts and client-specific personalization. Additionally, we introduce an instance-wise dynamic weighting mechanism that dynamically integrates the global and local adapters for each test instance during inference, facilitating effective test-time personalization. The effectiveness of the proposed method has been evaluated on benchmark datasets across different NLP tasks.
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Natural images captured by mobile devices often suffer from multiple types of degradation, such as noise, blur, and low light. Traditional image restoration methods require manual selection of specific tasks, algorithms, and execution sequences, which is time-consuming and may yield suboptimal results. All-in-one models, though capable of handling multiple tasks, typically support only a limited range and often produce overly smooth, low-fidelity outcomes due to their broad data distribution fitting. To address these challenges, we first define a new pipeline for restoring images with multiple degradations, and then introduce RestoreAgent, an intelligent image restoration system leveraging multimodal large language models. RestoreAgent autonomously assesses the type and extent of degradation in input images and performs restoration through (1) determining the appropriate restoration tasks, (2) optimizing the task sequence, (3) selecting the most suitable models, and (4) executing the restoration. Experimental results demonstrate the superior performance of RestoreAgent in handling complex degradation, surpassing human experts. Furthermore, the system’s modular design facilitates the fast integration of new tasks and models.
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Interpreting the decisions of deep learning models, including audio classifiers, is crucial for ensuring the transparency and trustworthiness of this technology. In this paper, we introduce LMAC-ZS (Listenable Maps for Zero-Shot Audio Classifiers), which, to the best of our knowledge, is the first decoder-based post-hoc explanation method for explaining the decisions of zero-shot audio classifiers. The proposed method utilizes a novel loss function that aims to closely reproduce the original similarity patterns between text-and-audio pairs in the generated explanations. We provide an extensive evaluation using the Contrastive Language-Audio Pretraining (CLAP) model to showcase that our interpreter remains faithful to the decisions in a zero-shot classification context. Moreover, we qualitatively show that our method produces meaningful explanations that correlate well with different text prompts.
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For classification models based on neural networks, the maximum predicted class probability is often used as a confidence score. This score rarely predicts well the probability of making a correct prediction and requires a post-processing calibration step. However, many confidence calibration methods fail for problems with many classes. To address this issue, we transform the problem of calibrating a multiclass classifier into calibrating a single surrogate binary classifier. This approach allows for more efficient use of standard calibration methods. We evaluate our approach on numerous neural networks used for image or text classification and show that it significantly enhances existing calibration methods.
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Bivariate partial information decomposition (PID) has emerged as a promising tool for analyzing interactions in complex systems, particularly in neuroscience. PID achieves this by decomposing the information that two sources (e.g., different brain regions) have about a target (e.g., a stimulus) into unique, redundant, and synergistic terms. However, the computation of PID remains a challenging problem, often involving optimization over distributions. While several works have been proposed to compute PID terms numerically, there is a surprising dearth of work on computing PID terms analytically. The only known analytical PID result is for jointly Gaussian distributions. In this work, we present two theoretical advances that enable analytical calculation of the PID terms for numerous well-known distributions, including distributions relevant to neuroscience, such as Poisson, Cauchy, and binomial. Our first result generalizes the analytical Gaussian PID result to the much larger class of stable distributions. We also discover a theoretical link between PID and the emerging fields of data thinning and data fission. Our second result utilizes this link to derive analytical PID terms for two more classes of distributions: convolution-closed distributions and a sub-class of the exponential family. Furthermore, we provide an analytical upper bound for approximately calculating PID for convolution-closed distributions, whose tightness we demonstrate in simulation.
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We introduce Exo2Ego-V, a novel exocentric-to-egocentric diffusion-based video generation method for daily-life skilled human activities where sparse 4-view exocentric viewpoints are configured 360° around the scene. This task is particularly challenging due to the significant variations between exocentric and egocentric viewpoints and high complexity of dynamic motions and real-world daily-life environments. To address these challenges, we first propose a new diffusion-based multi-view exocentric encoder to extract the dense multi-scale features from multi-view exocentric videos as the appearance conditions for egocentric video generation. Then, we design an exocentric-to-egocentric view translation prior to provide spatially aligned egocentric features as a concatenation guidance for the input of egocentric video diffusion model. Finally, we introduce the temporal attention layers into our egocentric video diffusion pipeline to improve the temporal consistency cross egocentric frames. Extensive experiments demonstrate that Exo2Ego-V significantly outperforms SOTA approaches on 5 categories from the Ego-Exo4D dataset with an average of 35% in terms of LPIPS. Our code and model will be made available on https://github.com/showlab/Exo2Ego-V.
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Unsupervised Multiplex Graph Learning (UMGL) aims to learn node representations on various edge types without manual labeling. However, existing research overlooks a key factor: the reliability of the graph structure. Real-world data often exhibit a complex nature and contain abundant task-irrelevant noise, severely compromising UMGL's performance. Moreover, existing methods primarily rely on contrastive learning to maximize mutual information across different graphs, limiting them to multiplex graph redundant scenarios and failing to capture view-unique task-relevant information. In this paper, we focus on a more realistic and challenging task: to unsupervisedly learn a fused graph from multiple graphs that preserve sufficient task-relevant information while removing task-irrelevant noise. Specifically, our proposed Information-aware Unsupervised Multiplex Graph Fusion framework (InfoMGF) uses graph structure refinement to eliminate irrelevant noise and simultaneously maximizes view-shared and view-unique task-relevant information, thereby tackling the frontier of non-redundant multiplex graph. Theoretical analyses further guarantee the effectiveness of InfoMGF. Comprehensive experiments against various baselines on different downstream tasks demonstrate its superior performance and robustness. Surprisingly, our unsupervised method even beats the sophisticated supervised approaches. The source code and datasets are available at https://github.com/zxlearningdeep/InfoMGF.
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When solving partial differential equations (PDEs), classical numerical methods often require fine mesh grids and small time stepping to meet stability, consistency, and convergence conditions, leading to high computational cost. Recently, machine learning has been increasingly utilized to solve PDE problems, but they often encounter challenges related to interpretability, generalizability, and strong dependency on rich labeled data. Hence, we introduce a new PDE-Preserved Coarse Correction Network (P$^2$C$^2$Net) to efficiently solve spatiotemporal PDE problems on coarse mesh grids in small data regimes. The model consists of two synergistic modules: (1) a trainable PDE block that learns to update the coarse solution (i.e., the system state), based on a high-order numerical scheme with boundary condition encoding, and (2) a neural network block that consistently corrects the solution on the fly. In particular, we propose a learnable symmetric Conv filter, with weights shared over the entire model, to accurately estimate the spatial derivatives of PDE based on the neural-corrected system state. The resulting physics-encoded model is capable of handling limited training data (e.g., 3--5 trajectories) and accelerates the prediction of PDE solutions on coarse spatiotemporal grids while maintaining a high accuracy. P$^2$C$^2$Net achieves consistent state-of-the-art performance with over 50\% gain (e.g., in terms of relative prediction error) across four datasets covering complex reaction-diffusion processes and turbulent flows.
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This paper conducts a comprehensive study of the learning curves of kernel ridge regression (KRR) under minimal assumptions. Our contributions are three-fold: 1) we analyze the role of key properties of the kernel, such as its spectral eigen-decay, the characteristics of the eigenfunctions, and the smoothness of the kernel; 2) we demonstrate the validity of the Gaussian Equivalent Property (GEP), which states that the generalization performance of KRR remains the same when the whitened features are replaced by standard Gaussian vectors, thereby shedding light on the success of previous analyzes under the Gaussian Design Assumption; 3) we derive novel bounds that improve over existing bounds across a broad range of setting such as (in)dependent feature vectors and various combinations of eigen-decay rates in the over/underparameterized regimes.
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Continuous action spaces in reinforcement learning (RL) are commonly defined as multidimensional intervals. While intervals usually reflect the action boundaries for tasks well, they can be challenging for learning because the typically large global action space leads to frequent exploration of irrelevant actions. Yet, little task knowledge can be sufficient to identify significantly smaller state-specific sets of relevant actions. Focusing learning on these relevant actions can significantly improve training efficiency and effectiveness. In this paper, we propose to focus learning on the set of relevant actions and introduce three continuous action masking methods for exactly mapping the action space to the state-dependent set of relevant actions. Thus, our methods ensure that only relevant actions are executed, enhancing the predictability of the RL agent and enabling its use in safety-critical applications. We further derive the implications of the proposed methods on the policy gradient. Using proximal policy optimization ( PPO), we evaluate our methods on four control tasks, where the relevant action set is computed based on the system dynamics and a relevant state set. Our experiments show that the three action masking methods achieve higher final rewards and converge faster than the baseline without action masking.
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Predictive coding (PC) is an energy-based learning algorithm that performs iterative inference over network activities before updating weights. Recent work suggests that PC can converge in fewer learning steps than backpropagation thanks to its inference procedure. However, these advantages are not always observed, and the impact of PC inference on learning is not theoretically well understood. Here, we study the effective landscape on which PC learns: the PC energy function at the inference equilibrium of the network activities. For deep linear networks, we first show that the equilibrated energy is simply a rescaled mean squared error loss with a weight-dependent rescaling. We then prove that many highly degenerate (non-strict) saddles of the loss including the origin become much easier to escape (strict) in the equilibrated energy. Our theory is validated by experiments on both linear and non-linear networks. Based on these and other results, we conjecture that all the saddles of the equilibrated energy are strict. Overall, this work suggests that PC inference makes the loss landscape more benign and robust to vanishing gradients, while also highlighting the fundamental challenge of scaling PC to deeper models.
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The Schrödinger Bridge (SB) problem offers a powerful framework for combining optimal transport and diffusion models. A promising recent approach to solve the SB problem is the Iterative Markovian Fitting (IMF) procedure, which alternates between Markovian and reciprocal projections of continuous-time stochastic processes. However, the model built by the IMF procedure has a long inference time due to using many steps of numerical solvers for stochastic differential equations. To address this limitation, we propose a novel Discrete-time IMF (D-IMF) procedure in which learning of stochastic processes is replaced by learning just a few transition probabilities in discrete time. Its great advantage is that in practice it can be naturally implemented using the Denoising Diffusion GAN (DD-GAN), an already well-established adversarial generative modeling technique. We show that our D-IMF procedure can provide the same quality of unpaired domain translation as the IMF, using only several generation steps instead of hundreds.
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Large Language Models (LLMs) are increasingly used for various tasks with graph structures. Though LLMs can process graph information in a textual format, they overlook the rich vision modality, which is an intuitive way for humans to comprehend structural information and conduct general graph reasoning. The potential benefits and capabilities of representing graph structures as visual images (i.e., $\textit{visual graph}$) are still unexplored. To fill the gap, we innovatively propose an end-to-end framework, called $\textbf{G}$raph to v$\textbf{I}$sual and $\textbf{T}$extual Integr$\textbf{A}$tion (GITA), which firstly incorporates visual graphs into general graph reasoning. Besides, we establish $\textbf{G}$raph-based $\textbf{V}$ision-$\textbf{L}$anguage $\textbf{Q}$uestion $\textbf{A}$nswering (GVLQA) dataset from existing graph data, which is the first vision-language dataset for general graph reasoning purposes. Extensive experiments on the GVLQA dataset and five real-world datasets show that GITA outperforms mainstream LLMs in terms of general graph reasoning capabilities. Moreover, We highlight the effectiveness of the layout augmentation on visual graphs and pretraining on the GVLQA dataset.
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Continual learning (CL) aims to adapt to non-stationary data distributions while retaining previously acquired knowledge. However, CL models typically face a trade-off between preserving old task knowledge and excelling in new task performance. Existing approaches often sacrifice one for the other. To overcome this limitation, orthogonal to existing approaches, we propose a novel perspective that views the CL model ability in preserving old knowledge and performing well in new task as a matter of model sensitivity to parameter updates. \textit{Excessive} parameter sensitivity can lead to two drawbacks: (1) significant forgetting of previous knowledge; and (2) overfitting to new tasks. To reduce parameter sensitivity, we optimize the model's performance based on the parameter distribution, which achieves the worst-case CL performance within a distribution neighborhood. This innovative learning paradigm offers dual benefits: (1) reduced forgetting of old knowledge by mitigating drastic changes in model predictions under small parameter updates; and (2) enhanced new task performance by preventing overfitting to new tasks. Consequently, our method achieves superior ability in retaining old knowledge and achieving excellent new task performance simultaneously. Importantly, our approach is compatible with existing CL methodologies, allowing seamless integration while delivering significant improvements in effectiveness, efficiency, and versatility with both theoretical and empirical supports.
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Data assimilation is a vital component in modern global medium-range weather forecasting systems to obtain the best estimation of the atmospheric state by combining the short-term forecast and observations. Recently, AI-based data assimilation approaches have attracted increasing attention for their significant advantages over traditional techniques in terms of computational consumption. However, existing AI-based data assimilation methods can only handle observations with a specific resolution, lacking the compatibility and generalization ability to assimilate observations with other resolutions. Considering that complex real-world observations often have different resolutions, we propose the Fourier Neural Processes (FNP) for arbitrary-resolution data assimilation in this paper. Leveraging the efficiency of the designed modules and flexible structure of neural processes, FNP achieves state-of-the-art results in assimilating observations with varying resolutions, and also exhibits increasing advantages over the counterparts as the resolution and the amount of observations increase. Moreover, our FNP trained on a fixed resolution can directly handle the assimilation of observations with out-of-distribution resolutions and the observational information reconstruction task without additional fine-tuning, demonstrating its excellent generalization ability across data resolutions as well as across tasks. Code is available at https://github.com/OpenEarthLab/FNP.
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Large language models are often ranked according to their level of alignment with human preferences---a model is better than other models if its outputs are more frequently preferred by humans. One of the popular ways to elicit human preferences utilizes pairwise comparisons between the outputs provided by different models to the same inputs. However, since gathering pairwise comparisons by humans is costly and time-consuming, it has become a common practice to gather pairwise comparisons by a strong large language model---a model strongly aligned with human preferences. Surprisingly, practitioners cannot currently measure the uncertainty that any mismatch between human and model preferences may introduce in the constructed rankings. In this work, we develop a statistical framework to bridge this gap. Given a (small) set of pairwise comparisons by humans and a large set of pairwise comparisons by a model, our framework provides a rank-set---a set of possible ranking positions---for each of the models under comparison. Moreover, it guarantees that, with a probability greater than or equal to a user-specified value, the rank-sets cover the true ranking consistent with the distribution of human pairwise preferences asymptotically. Using pairwise comparisons made by humans in the LMSYS Chatbot Arena platform and pairwise comparisons made by three strong large language models, we empirically demonstrate the effectivity of our framework and show that the rank-sets constructed using only pairwise comparisons by the strong large language models are often inconsistent with (the distribution of) human pairwise preferences.
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A challenging problem in seeking to bring multi-agent reinforcement learning (MARL) techniques into real-world applications, such as autonomous driving and drone swarms, is how to control multiple agents safely and cooperatively to accomplish tasks. Most existing safe MARL methods learn the centralized value function by introducing a global state to guide safety cooperation. However, the global coupling arising from agents’ safety constraints and the exponential growth of the state-action space size limit their applicability in instant communication or computing resource-constrained systems and larger multi-agent systems. In this paper, we develop a novel scalable and theoretically-justified multi-agent constrained policy optimization method. This method utilizes the rigorous bounds of the trust region method and the bounds of the truncated advantage function to provide a new local policy optimization objective for each agent. Also, we prove that the safety constraints and the joint policy improvement can be met when each agent adopts a sequential update scheme to optimize a $\kappa$-hop policy. Then, we propose a practical algorithm called Scalable MAPPO-Lagrangian (Scal-MAPPO-L). The proposed method’s effectiveness is verified on a collection of benchmark tasks, and the results support our theory that decentralized training with local interactions can still improve reward performance and satisfy safe constraints.
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Given a pair of point clouds, the goal of assembly is to recover a rigid transformation that aligns one point cloud to the other. This task is challenging because the point clouds may be non-overlapped, and they may have arbitrary initial positions. To address these difficulties, we propose a method, called $SE(3)$-bi-equivariant transformer (BITR), based on the $SE(3)$-bi-equivariance prior of the task:it guarantees that when the inputs are rigidly perturbed, the output will transform accordingly. Due to its equivariance property, BITR can not only handle non-overlapped PCs, but also guarantee robustness against initial positions. Specifically, BITR first extracts features of the inputs using a novel $SE(3) \times SE(3)$-transformer, and then projects the learned feature to group $SE(3)$ as the output. Moreover, we theoretically show that swap and scale equivariances can be incorporated into BITR, thus it further guarantees stable performance under scaling and swapping the inputs. We experimentally show the effectiveness of BITR in practical tasks.
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Sharpness Aware Minimization (SAM) enhances performance across various neural architectures and datasets. As models are continually scaled up to improve performance, a rigorous understanding of SAM’s scaling behaviour is paramount. To this end, we study the infinite-width limit of neural networks trained with SAM, using the Tensor Programs framework. Our findings reveal that the dynamics of standard SAM effectively reduce to applying SAM solely in the last layer in wide neural networks, even with optimal hyperparameters. In contrast, we identify a stable parameterization with layerwise perturbation scaling, which we call *Maximal Update and Perturbation Parameterization* ($\mu$P$^2$), that ensures all layers are both feature learning and effectively perturbed in the limit. Through experiments with MLPs, ResNets and Vision Transformers, we empirically demonstrate that $\mu$P$^2$ is the first parameterization to achieve hyperparameter transfer of the joint optimum of learning rate and perturbation radius across model scales. Moreover, we provide an intuitive condition to derive $\mu$P$^2$ for other perturbation rules like Adaptive SAM and SAM-ON, also ensuring balanced perturbation effects across all layers.
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The cost of ranking becomes significant in the new stage of deep learning. We propose ST$_k$, a fully differentiable module with a single trainable parameter, designed to solve the Top-k problem without requiring additional time or GPU memory. Due to its fully differentiable nature, ST$_k$ can be embedded end-to-end into neural networks and optimize the Top-k problems within a unified computational graph. We apply ST$_k$ to the Average Top-k Loss (AT$_k$), which inherently faces a Top-k problem. The proposed ST$_k$ Loss outperforms AT$_k$ Loss and achieves the best average performance on multiple benchmarks, with the lowest standard deviation. With the assistance of ST$_k$ Loss, we surpass the state-of-the-art (SOTA) on both CIFAR-100-LT and Places-LT leaderboards.
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Bayesian reasoning in linear mixed-effects models (LMMs) is challenging and often requires advanced sampling techniques like Markov chain Monte Carlo (MCMC). A common approach is to write the model in a probabilistic programming language and then sample via Hamiltonian Monte Carlo (HMC). However, there are many ways a user can transform a model that make inference more or less efficient. In particular, marginalizing some variables can greatly improve inference but is difficult for users to do manually. We develop an algorithm to easily marginalize random effects in LMMs. A naive approach introduces cubic time operations within an inference algorithm like HMC, but we reduce the running time to linear using fast linear algebra techniques. We show that marginalization is always beneficial when applicable and highlight improvements in various models, especially ones from cognitive sciences.
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Multimodal physiological signals, such as EEG, EOG and EMG, provide rich and reliable physiological information for automated sleep staging (ASS). However, in the real world, the completeness of various modalities is difficult to guarantee, which seriously affects the performance of ASS based on multimodal learning. Furthermore, the exploration of temporal context information within PTSs is also a serious challenge. To this end, we propose a robust multimodal sleep staging framework named contrastive imagination modality sleep network (CIMSleepNet). Specifically, CIMSleepNet handles the issue of arbitrary modal missing through the combination of modal awareness imagination module (MAIM) and semantic & modal calibration contrastive learning (SMCCL). Among them, MAIM can capture the interaction among modalities by learning the shared representation distribution of all modalities. Meanwhile, SMCCL introduces prior information of semantics and modalities to check semantic consistency while maintaining the uniqueness of each modality. Utilizing the calibration of SMCCL, the data distribution recovered by MAIM is aligned with the real data distribution. We further design a multi-level cross-branch temporal attention mechanism, which can facilitate the mining of interactive temporal context representations at both the intra-epoch and inter-epoch levels. Extensive experiments on five multimodal sleep datasets demonstrate that CIMSleepNet remarkably outperforms other competitive methods under various missing modality patterns. The source code is available at: https://github.com/SQAIYY/CIMSleepNet.
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Lossless compression of large-scale scientific floating-point data is critical yet challenging due to the presence of high-order information and noise that arises from model truncation and discretization errors. Existing entropy coding techniques fail to effectively leverage the mechanisms underlying the data generation process. This paper introduces MeLLoC(Mechanism Learning for Lossless Compression), a novel approach that combines high-order mechanism learning with classical encoding to enhance lossless compression for scientific data. The key idea is to treat the data as discrete samples from an underlying physical field described by differential equations and solve an inverse problem to identify the governing equation coefficients exhibiting more compressible numeric representations. Periodic extension techniques are employed to accelerate the decompression. Through extensive experiments on various scientific datasets, MeLLoC consistently outperforms state-of-the-art lossless compressors while offering compelling trade-offs between compression ratios and computational costs. This work opens up new avenues for exploiting domain knowledge and high-order information to improve data compression in scientific computing.
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Rewards are a critical aspect of formulating Reinforcement Learning (RL) problems; often, one may be interested in testing multiple reward functions, or the problem may naturally involve multiple rewards. In this study, we investigate the _Multi-Reward Best Policy Identification_ (MR-BPI) problem, where the goal is to determine the best policy for all rewards in a given set $\mathcal{R}$ with minimal sample complexity and a prescribed confidence level. We derive a fundamental instance-specific lower bound on the sample complexity required by any Probably Correct (PC) algorithm in this setting. This bound guides the design of an optimal exploration policy attaining minimal sample complexity. However, this lower bound involves solving a hard non-convex optimization problem. We address this challenge by devising a convex approximation, enabling the design of sample-efficient algorithms. We propose MR-NaS, a PC algorithm with competitive performance on hard-exploration tabular environments. Extending this approach to Deep RL (DRL), we also introduce DBMR-BPI, an efficient algorithm for model-free exploration in multi-reward settings.
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We investigate Reinforcement Learning from Human Feedback (RLHF) in the context of a general preference oracle. In particular, we do not assume the existence of a reward function and an oracle preference signal drawn from the Bradley-Terry model as most of the prior works do. We consider a standard mathematical formulation, the reverse-KL regularized minimax game between two LLMs for RLHF under general preference oracle. The learning objective of this formulation is to find a policy so that it is consistently preferred by the KL-regularized preference oracle over any competing LLMs. We show that this framework is strictly more general than the reward-based one, and propose sample-efficient algorithms for both the offline learning from a pre-collected preference dataset and online learning where we can query the preference oracle along the way of training. Empirical studies verify the effectiveness of the proposed framework.
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Kernel techniques are among the most influential approaches in data science and statistics. Under mild conditions, the reproducing kernel Hilbert space associated to a kernel is capable of encoding the independence of $M\ge2$ random variables. Probably the most widespread independence measure relying on kernels is the so-called Hilbert-Schmidt independence criterion (HSIC; also referred to as distance covariance in the statistics literature). Despite various existing HSIC estimators designed since its introduction close to two decades ago, the fundamental question of the rate at which HSIC can be estimated is still open. In this work, we prove that the minimax optimal rate of HSIC estimation on $\mathbb{R}^d$ for Borel measures containing the Gaussians with continuous bounded translation-invariant characteristic kernels is $\mathcal{O}\left(n^{-1/2}\right)$. Specifically, our result implies the optimality in the minimax sense of many of the most-frequently used estimators (including the U-statistic, the V-statistic, and the Nyström-based one) on $\mathbb{R}^d$.
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We introduce a novel capacity measure 2sED for statistical models based on the effective dimension. The new quantity provably bounds the generalization error under mild assumptions on the model. Furthermore, simulations on standard data sets and popular model architectures show that 2sED correlates well with the training error. For Markovian models, we show how to efficiently approximate 2sED from below through a layerwise iterative approach, which allows us to tackle deep learning models with a large number of parameters. Simulation results suggest that the approximation is good for different prominent models and data sets.
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A well-known dilemma in large vision-language models (e.g., GPT-4, LLaVA) is that while increasing the number of vision tokens generally enhances visual understanding, it also significantly raises memory and computational costs, especially in long-term, dense video frame streaming scenarios. Although learnable approaches like Q-Former and Perceiver Resampler have been developed to reduce the vision token burden, they overlook the context causally modeled by LLMs (i.e., key-value cache), potentially leading to missed visual cues when addressing user queries. In this paper, we introduce a novel approach to reduce vision compute by leveraging redundant vision tokens ``skipping layers'' rather than decreasing the number of vision tokens. Our method, VideoLLM-MoD, is inspired by mixture-of-depths LLMs and addresses the challenge of numerous vision tokens in long-term or streaming video. Specifically, for certain transformer layer, we learn to skip the computation for a high proportion (e.g., 80\%) of vision tokens, passing them directly to the next layer. This approach significantly enhances model efficiency, achieving approximately 42% time and 30% memory savings for the entire training. Moreover, our method reduces the computation in the context and avoid decreasing the vision tokens, thus preserving or even improving performance compared to the vanilla model. We conduct extensive experiments to demonstrate the effectiveness of VideoLLM-MoD, showing its state-of-the-art results on multiple benchmarks, including narration, forecasting, and summarization tasks in COIN, Ego4D, and Ego-Exo4D datasets. The code and checkpoints will be made available at github.com/showlab/VideoLLM-online.
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While the expected calibration error (ECE), which employs binning, is widely adopted to evaluate the calibration performance of machine learning models, theoretical understanding of its estimation bias is limited. In this paper, we present the first comprehensive analysis of the estimation bias in the two common binning strategies, uniform mass and uniform width binning. Our analysis establishes upper bounds on the bias, achieving an improved convergence rate. Moreover, our bounds reveal, for the first time, the optimal number of bins to minimize the estimation bias. We further extend our bias analysis to generalization error analysis based on the information-theoretic approach, deriving upper bounds that enable the numerical evaluation of how small the ECE is for unknown data. Experiments using deep learning models show that our bounds are nonvacuous thanks to this information-theoretic generalization analysis approach.
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Recent advances in algorithmic design show how to utilize predictions obtained by machine learning models from past and present data. These approaches have demonstrated an enhancement in performance when the predictions are accurate, while also ensuring robustness by providing worst-case guarantees when predictions fail. In this paper we focus on online problems; prior research in this context was focused on a paradigm where the algorithms are oblivious of the predictors' design, treating them as a black box. In contrast, in this work, we unpack the predictor and integrate the learning problem it gives rise for within the algorithmic challenge. In particular we allow the predictor to learn as it receives larger parts of the input, with the ultimate goal of designing online learning algorithms specifically tailored for the algorithmic task at hand. Adopting this perspective, we focus on a number of fundamental problems, including caching and scheduling, which have been well-studied in the black-box setting. For each of the problems, we introduce new algorithms that take advantage of explicit and carefully designed learning rules. These pairings of online algorithms with corresponding learning rules yields improvements in the overall performance in comparison with previous work.
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As Large Language Models (LLMs) demonstrate impressive capabilities, demystifying their internal mechanisms becomes increasingly vital. Neuron attribution, which attributes LLM outputs to specific neurons to reveal the semantic properties they learn, has emerged as a key interpretability approach. However, while neuron attribution has made significant progress in deciphering text-only LLMs, its application to Multimodal LLMs (MLLMs) remains less explored. To address this gap, we propose a novel Neuron Attribution method tailored for MLLMs, termed NAM. Specifically, NAM not only reveals the modality-specific semantic knowledge learned by neurons within MLLMs, but also highlights several intriguing properties of neurons, such as cross-modal invariance and semantic sensitivity. These properties collectively elucidate the inner workings mechanism of MLLMs, providing a deeper understanding of how MLLMs process and generate multi-modal content. Through theoretical analysis and empirical validation, we demonstrate the efficacy of NAM and the valuable insights it offers. Furthermore, leveraging NAM, we introduce a multi-modal knowledge editing paradigm, underscoring the practical significance of our approach for downstream applications of MLLMs.
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Neural Radiance Fields (NeRFs) have shown remarkable performances in producing novel-view images from high-quality scene images. However, hand-held low-light photography challenges NeRFs as the captured images may simultaneously suffer from low visibility, noise, and camera shakes. While existing NeRF methods may handle either low light or motion, directly combining them or incorporating additional image-based enhancement methods does not work as these degradation factors are highly coupled. We observe that noise in low-light images is always sharp regardless of camera shakes, which implies an implicit order of these degradation factors within the image formation process. This inspires us to explore such an order to decouple and remove these degradation factors while training the NeRF. To this end, we propose in this paper a novel model, named LuSh-NeRF, which can reconstruct a clean and sharp NeRF from a group of hand-held low-light images. The key idea of LuSh-NeRF is to sequentially model noise and blur in the images via multi-view feature consistency and frequency information of NeRF, respectively. Specifically, LuSh-NeRF includes a novel Scene-Noise Decomposition (SND) module for decoupling the noise from the scene representation and a novel Camera Trajectory Prediction (CTP) module for the estimation of camera motions based on low-frequency scene information. To facilitate training and evaluations, we construct a new dataset containing both synthetic and real images. Experiments show that LuSh-NeRF outperforms existing approaches. Our code and dataset can be found here: https://github.com/quzefan/LuSh-NeRF.
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Deep learning technologies have demonstrated remarkable performance in vulnerability detection. Existing works primarily adopt a uniform and consistent feature learning pattern across the entire target set. While designed for general-purpose detection tasks, they lack sensitivity towards target code comprising multiple functional modules or diverse vulnerability subtypes. In this paper, we present a knowledge fusion-based vulnerability detection method (KF-GVD) that integrates specific vulnerability knowledge into the Graph Neural Network feature learning process. KF-GVD achieves accurate vulnerability detection across different functional modules of the Linux kernel and vulnerability subtypes without compromising general task performance. Extensive experiments demonstrate that KF-GVD outperforms SOTAs on function-level and statement-level vulnerability detection across various target tasks, with an average increase of 40.9% in precision and 26.1% in recall. Notably, KF-GVD discovered 9 undisclosed vulnerabilities when employing on C/C++ open-source projects without ground truth.
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Large Language Models (LLMs) have revolutionised natural language processing, exhibiting impressive human-like capabilities. In particular, LLMs are capable of "lying", knowingly outputting false statements. Hence, it is of interest and importance to develop methods to detect when LLMs lie. Indeed, several authors trained classifiers to detect LLM lies based on their internal model activations. However, other researchers showed that these classifiers may fail to generalise, for example to negated statements. In this work, we aim to develop a robust method to detect when an LLM is lying. To this end, we make the following key contributions: (i) We demonstrate the existence of a two-dimensional subspace, along which the activation vectors of true and false statements can be separated. Notably, this finding is universal and holds for various LLMs, including Gemma-7B, LLaMA2-13B, Mistral-7B and LLaMA3-8B. Our analysis explains the generalisation failures observed in previous studies and sets the stage for more robust lie detection; (ii) Building upon (i), we construct an accurate LLM lie detector. Empirically, our proposed classifier achieves state-of-the-art performance, attaining 94\% accuracy in both distinguishing true from false factual statements and detecting lies generated in real-world scenarios.
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Large Language Models (LLMs) are widely used for knowledge-seeking purposes yet suffer from hallucinations. The knowledge boundary of an LLM limits its factual understanding, beyond which it may begin to hallucinate. Investigating the perception of LLMs' knowledge boundary is crucial for detecting hallucinations and LLMs' reliable generation. Current studies perceive LLMs' knowledge boundary on questions with concrete answers (close-ended questions) while paying limited attention to semi-open-ended questions that correspond to many potential answers. Some researchers achieve it by judging whether the question is answerable or not. However, this paradigm is not so suitable for semi-open-ended questions, which are usually ``partially answerable questions'' containing both answerable answers and ambiguous (unanswerable) answers. Ambiguous answers are essential for knowledge-seeking, but it may go beyond the knowledge boundary of LLMs. In this paper, we perceive the LLMs' knowledge boundary with semi-open-ended questions by discovering more ambiguous answers. First, we apply an LLM-based approach to construct semi-open-ended questions and obtain answers from a target LLM. Unfortunately, the output probabilities of mainstream black-box LLMs are inaccessible to sample more low-probability ambiguous answers. Therefore, we apply an open-sourced auxiliary model to explore ambiguous answers for the target LLM. We calculate the nearest semantic representation for existing answers to estimate their probabilities, with which we reduce the generation probability of high-probability existing answers to achieve a more effective generation. Finally, we compare the results from the RAG-based evaluation and LLM self-evaluation to categorize four types of ambiguous answers that are beyond the knowledge boundary of the target LLM. Following our method, we construct a dataset to perceive the knowledge boundary for GPT-4. We find that GPT-4 performs poorly on semi-open-ended questions and is often unaware of its knowledge boundary. Besides, our auxiliary model, LLaMA-2-13B, is effective in discovering many ambiguous answers, including correct answers neglected by GPT-4 and delusive wrong answers GPT-4 struggles to identify.
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Goal misalignment, reward sparsity and difficult credit assignment are only a few of the many issues that make it difficult for deep reinforcement learning (RL) agents to learn optimal policies. Unfortunately, the black-box nature of deep neural networks impedes the inclusion of domain experts for inspecting the model and revising suboptimal policies. To this end, we introduce Successive Concept Bottleneck Agents (SCoBots), that integrate consecutive concept bottleneck (CB) layers. In contrast to current CB models, SCoBots do not just represent concepts as properties of individual objects, but also as relations between objects which is crucial for many RL tasks. Our experimental results provide evidence of SCoBots' competitive performances, but also of their potential for domain experts to understand and regularize their behavior. Among other things, SCoBots enabled us to identify a previously unknown misalignment problem in the iconic video game, Pong, and resolve it. Overall, SCoBots thus result in more human-aligned RL agents.
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Certified adversarial robustness of large-scale deep networks has progressed substantially after the introduction of randomized smoothing. Deep net classifiers are now provably robust in their predictions against a large class of threat models, including $\ell_1$, $\ell_2$, and $\ell_\infty$ norm-bounded attacks. Certified robustness analysis by randomized smoothing has not been performed for deep regression networks where the output variable is continuous and unbounded. In this paper, we extend the existing results for randomized smoothing into regression models using powerful tools from robust statistics, in particular, $\alpha$-trimming filter as the smoothing function. Adjusting the hyperparameter $\alpha$ achieves a smooth trade-off between desired certified robustness and utility. For the first time, we propose a benchmark for certified robust regression in visual positioning systems using the Cambridge Landmarks dataset where robustness analysis is essential for autonomous navigation of AI agents and self-driving cars. Code is publicly available at \url{https://github.com/arekavandi/Certified_adv_RRegression/}.
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This work considers a practical semi-supervised graph anomaly detection (GAD) scenario, where part of the nodes in a graph are known to be normal, contrasting to the extensively explored unsupervised setting with a fully unlabeled graph. We reveal that having access to the normal nodes, even just a small percentage of normal nodes, helps enhance the detection performance of existing unsupervised GAD methods when they are adapted to the semi-supervised setting. However, their utilization of these normal nodes is limited. In this paper, we propose a novel Generative GAD approach (namely GGAD) for the semi-supervised scenario to better exploit the normal nodes. The key idea is to generate pseudo anomaly nodes, referred to as 'outlier nodes', for providing effective negative node samples in training a discriminative one-class classifier. The main challenge here lies in the lack of ground truth information about real anomaly nodes. To address this challenge, GGAD is designed to leverage two important priors about the anomaly nodes -- asymmetric local affinity and egocentric closeness -- to generate reliable outlier nodes that assimilate anomaly nodes in both graph structure and feature representations. Comprehensive experiments on six real-world GAD datasets are performed to establish a benchmark for semi-supervised GAD and show that GGAD substantially outperforms state-of-the-art unsupervised and semi-supervised GAD methods with varying numbers of training normal nodes.
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One key challenge in Out-of-Distribution (OOD) detection is the absence of ground-truth OOD samples during training. One principled approach to address this issue is to use samples from external datasets as outliers ($\textit{i.e.}$, pseudo OOD samples) to train OOD detectors. However, we find empirically that the outlier samples often present a distribution shift compared to the true OOD samples, especially in Long-Tailed Recognition (LTR) scenarios, where ID classes are heavily imbalanced, $\textit{i.e.}$, the true OOD samples exhibit very different probability distribution to the head and tailed ID classes from the outliers. In this work, we propose a novel approach, namely $\textit{normalized outlier distribution adaptation}$ (AdaptOD), to tackle this distribution shift problem. One of its key components is $\textit{dynamic outlier distribution adaptation}$ that effectively adapts a vanilla outlier distribution based on the outlier samples to the true OOD distribution by utilizing the OOD knowledge in the predicted OOD samples during inference. Further, to obtain a more reliable set of predicted OOD samples on long-tailed ID data, a novel $\textit{dual-normalized energy loss}$ is introduced in AdaptOD, which leverages class- and sample-wise normalized energy to enforce a more balanced prediction energy on imbalanced ID samples. This helps avoid bias toward the head samples and learn a substantially better vanilla outlier distribution than existing energy losses during training. It also eliminates the need of manually tuning the sensitive margin hyperparameters in energy losses. Empirical results on three popular benchmarks for OOD detection in LTR show the superior performance of AdaptOD over state-of-the-art methods. Code is available at https://github.com/mala-lab/AdaptOD.
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Many algorithms for aligning LLMs with human preferences assume that human preferences are binary and deterministic. However, human preferences can vary across individuals, and therefore should be represented distributionally. In this work, we introduce the distributional soft preference labels and improve Direct Preference Optimization (DPO) with a weighted geometric average of the LLM output likelihood in the loss function. This approach adjusts the scale of learning loss based on the soft labels such that the loss would approach zero when the responses are closer to equally preferred. This simple modification can be easily applied to any DPO-based methods and mitigate over-optimization and objective mismatch, which prior works suffer from. Our experiments simulate the soft preference labels with AI feedback from LLMs and demonstrate that geometric averaging consistently improves performance on standard benchmarks for alignment research. In particular, we observe more preferable responses than binary labels and significant improvements where modestly-confident labels are in the majority.
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As reinforcement learning agents become increasingly deployed in real-world scenarios, predicting future agent actions and events during deployment is important for facilitating better human-agent interaction and preventing catastrophic outcomes. This paper experimentally evaluates and compares the effectiveness of future action and event prediction for three types of RL agents: explicitly planning, implicitly planning, and non-planning. We employ two approaches: the inner state approach, which involves predicting based on the inner computations of the agents (e.g., plans or neuron activations), and a simulation-based approach, which involves unrolling the agent in a learned world model. Our results show that the plans of explicitly planning agents are significantly more informative for prediction than the neuron activations of the other types. Furthermore, using internal plans proves more robust to model quality compared to simulation-based approaches when predicting actions, while the results for event prediction are more mixed. These findings highlight the benefits of leveraging inner states and simulations to predict future agent actions and events, thereby improving interaction and safety in real-world deployments.
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Recent token reduction methods for Vision Transformers (ViTs) incorporate token merging, which measures the similarities between token embeddings and combines the most similar pairs. However, their merging policies are directly dependent on intermediate features in ViTs, which prevents exploiting features tailored for merging and requires end-to-end training to improve token merging. In this paper, we propose Decoupled Token Embedding for Merging (DTEM) that enhances token merging through a decoupled embedding learned via a continuously relaxed token merging process. Our method introduces a lightweight embedding module decoupled from the ViT forward pass to extract dedicated features for token merging, thereby addressing the restriction from using intermediate features. The continuously relaxed token merging, applied during training, enables us to learn the decoupled embeddings in a differentiable manner. Thanks to the decoupled structure, our method can be seamlessly integrated into existing ViT backbones and trained either modularly by learning only the decoupled embeddings or end-to-end by fine-tuning. We demonstrate the applicability of DTEM on various tasks, including classification, captioning, and segmentation, with consistent improvement in token merging. Especially in the ImageNet-1k classification, DTEM achieves a 37.2\% reduction in FLOPs while maintaining a top-1 accuracy of 79.85\% with DeiT-small.
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Teaching to improve student models (e.g., knowledge distillation) is an extensively studied methodology in LLMs. However, in human education, teaching enhances not only the students but also the teachers by fostering more rigorous and clearer reasoning, as well as deeper knowledge building. We ask: Can LLMs also learn by teaching (LbT) for better reasoning? If the answer is yes, we can potentially unlock the possibility of continuously advancing the models without solely relying on human-produced data or stronger models. In this paper, we provide a preliminary exploration of this question. We show that LbT ideas can be incorporated into existing LLM training/prompting pipelines and bring improvements. Specifically, we design three methods, each mimicking one of the three levels of LbT: observing students' feedback, learning from the feedback, and learning iteratively, with the goal of improving answer accuracy without training or improving models' inherent capability with fine-tuning. We reveal some findings: (1) Teaching materials that make it easier for students to learn (via in-context learning) have clearer and more accurate logic; (2) Weak-to-strong generalization: LbT might help improve strong models by teaching weak models; (3) Diversity in students might help: teaching multiple students could be better than teaching a single student or the teacher alone. We hope that our exploration can inspire future research on LbT and, more broadly, the adoption of advanced education techniques to improve LLMs. The code and website are at https://github.com/imagination-research/lbt and https://sites.google.com/view/llm-learning-by-teaching.
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Large Language Models (LLMs) are increasingly deployed in various applications. As their usage grows, concerns regarding their safety are rising, especially in maintaining harmless responses when faced with malicious instructions. Many defense strategies have been developed to enhance the safety of LLMs. However, our research finds that existing defense strategies lead LLMs to predominantly adopt a rejection-oriented stance, thereby diminishing the usability of their responses to benign instructions. To solve this problem, we introduce the MoGU framework, designed to enhance LLMs' safety while preserving their usability. Our MoGU framework transforms the base LLM into two variants: the usable LLM and the safe LLM, and further employs dynamic routing to balance their contribution. When encountering malicious instructions, the router will assign a higher weight to the safe LLM to ensure that responses are harmless. Conversely, for benign instructions, the router prioritizes the usable LLM, facilitating usable and helpful responses. On various open-sourced LLMs, we compare multiple defense strategies to verify the superiority of our MoGU framework. Besides, our analysis provides key insights into the effectiveness of MoGU and verifies that our designed routing mechanism can effectively balance the contribution of each variant by assigning weights. Our work released the safer Llama2, Vicuna, Falcon, Dolphin, and Baichuan2.
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Graph classification is a challenging problem owing to the difficulty in quantifying the similarity between graphs or representing graphs as vectors, though there have been a few methods using graph kernels or graph neural networks (GNNs). Graph kernels often suffer from computational costs and manual feature engineering, while GNNs commonly utilize global pooling operations, risking the loss of structural or semantic information. This work introduces Graph Reference Distribution Learning (GRDL), an efficient and accurate graph classification method. GRDL treats each graph's latent node embeddings given by GNN layers as a discrete distribution, enabling direct classification without global pooling, based on maximum mean discrepancy to adaptively learned reference distributions. To fully understand this new model (the existing theories do not apply) and guide its configuration (e.g., network architecture, references' sizes, number, and regularization) for practical use, we derive generalization error bounds for GRDL and verify them numerically. More importantly, our theoretical and numerical results both show that GRDL has a stronger generalization ability than GNNs with global pooling operations. Experiments on moderate-scale and large-scale graph datasets show the superiority of GRDL over the state-of-the-art, emphasizing its remarkable efficiency, being at least 10 times faster than leading competitors in both training and inference stages.
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This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.
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Learning the unknown causal parameters of a linear structural causal model is a fundamental task in causal analysis. The task, known as the problem of identification, asks to estimate the parameters of the model from a combination of assumptions on the graphical structure of the model and observational data, represented as a non-causal covariance matrix. In this paper, we give a new sound and complete algorithm for generic identification which runs in polynomial space. By a standard simulation result, namely $\mathsf{PSPACE} \subseteq \mathsf{EXP}$, this algorithm has exponential running time which vastly improves the state-of-the-art double exponential time method using a Gröbner basis approach. The paper also presents evidence that parameter identification is computationally hard in general. In particular, we prove, that the task asking whether, for a given feasible correlation matrix, there are exactly one or two or more parameter sets explaining the observed matrix, is hard for $\forall \mathbb{R}$, the co-class of the existential theory of the reals. In particular, this problem is $\mathsf{coNP}$-hard. To our best knowledge, this is the first hardness result for some notion of identifiability.
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Open-source Large Language Models (LLMs) and their specialized variants, particularly Code LLMs, have recently delivered impressive performance. However, previous Code LLMs are typically fine-tuned on single-source data with limited quality and diversity, which may insufficiently elicit the potential of pre-trained Code LLMs. In this paper, we present AlchemistCoder, a series of Code LLMs with enhanced code generation and generalization capabilities fine-tuned on multi-source data. To achieve this, we pioneer to unveil inherent conflicts among the various styles and qualities in multi-source code corpora and introduce data-specific prompts with hindsight relabeling, termed AlchemistPrompts, to harmonize different data sources and instruction-response pairs. Additionally, we propose incorporating the data construction process into the fine-tuning data as code comprehension tasks, including instruction evolution, data filtering, and code review. Extensive experiments demonstrate that AlchemistCoder holds a clear lead among all models of the same size (6.7B/7B) and rivals or even surpasses larger models (15B/33B/70B), showcasing the efficacy of our method in refining instruction-following capabilities and advancing the boundaries of code intelligence. Source code and models are available at https://github.com/InternLM/AlchemistCoder.
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The implicit bias of gradient descent has long been considered the primary mechanism explaining the superior generalization of over-parameterized neural networks without overfitting, even when the training error is zero. However, the implicit bias toward adversarial robustness has rarely been considered in the research community, although it is crucial for the trustworthiness of machine learning models. To fill this gap, in this paper, we explore whether consecutive layers collaborate to strengthen adversarial robustness during gradient descent. By quantifying this collaboration between layers using our proposed concept, co-correlation, we demonstrate a monotonically increasing trend in co-correlation, which implies a decreasing trend in adversarial robustness during gradient descent. Additionally, we observe different behaviours between narrow and wide neural networks during gradient descent. We conducted extensive experiments that verified our proposed theorems.
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Over the several recent years, there has been a boom in development of Flow Matching (FM) methods for generative modeling. One intriguing property pursued by the community is the ability to learn flows with straight trajectories which realize the Optimal Transport (OT) displacements. Straightness is crucial for the fast integration (inference) of the learned flow's paths. Unfortunately, most existing flow straightening methods are based on non-trivial iterative FM procedures which accumulate the error during training or exploit heuristics based on minibatch OT. To address these issues, we develop and theoretically justify the novel Optimal Flow Matching approach which allows recovering the straight OT displacement for the quadratic transport in just one FM step. The main idea of our approach is the employment of vector field for FM which are parameterized by convex functions. The code of our OFM implementation and the conducted experiments is available at https://github.com/Jhomanik/Optimal-Flow-Matching
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Recent advancements in 3D perception have led to a proliferation of network architectures, particularly those involving multi-modal fusion algorithms. While these fusion algorithms improve accuracy, their complexity often impedes real-time performance. This paper introduces VeXKD, an effective and Versatile framework that integrates Cross-Modal Fusion with Knowledge Distillation. VeXKD applies knowledge distillation exclusively to the Bird's Eye View (BEV) feature maps, enabling the transfer of cross-modal insights to single-modal students without additional inference time overhead. It avoids volatile components that can vary across various 3D perception tasks and student modalities, thus improving versatility. The framework adopts a modality-general cross-modal fusion module to bridge the modality gap between the multi-modal teachers and single-modal students. Furthermore, leveraging byproducts generated during fusion, our BEV query guided mask generation network identifies crucial spatial locations across different BEV feature maps in a data-driven manner, significantly enhancing the effectiveness of knowledge distillation. Extensive experiments on the nuScenes dataset demonstrate notable improvements, with up to 6.9\%/4.2\% increase in mAP and NDS for 3D detection tasks and up to 4.3\% rise in mIoU for BEV map segmentation tasks, narrowing the performance gap with multi-modal models.
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Adam is one of the most popular optimization algorithms in deep learning. However, it is known that Adam does not converge in theory unless choosing a hyperparameter, i.e., $\beta_2$, in a problem-dependent manner. There have been many attempts to fix the non-convergence (e.g., AMSGrad), but they require an impractical assumption that the gradient noise is uniformly bounded. In this paper, we propose a new adaptive gradient method named ADOPT, which achieves the optimal convergence rate of $\mathcal{O} ( 1 / \sqrt{T} )$ with any choice of $\beta_2$ without depending on the bounded noise assumption. ADOPT addresses the non-convergence issue of Adam by removing the current gradient from the second moment estimate and changing the order of the momentum update and the normalization by the second moment estimate. We also conduct intensive numerical experiments, and verify that our ADOPT achieves superior results compared to Adam and its variants across a wide range of tasks, including image classification, generative modeling, natural language processing, and deep reinforcement learning. The implementation is available at https://github.com/iShohei220/adopt.
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Large Reconstruction Models have made significant strides in the realm of automated 3D content generation from single or multiple input images. Despite their success, these models often produce 3D meshes with geometric inaccuracies, stemming from the inherent challenges of deducing 3D shapes solely from image data. In this work, we introduce a novel framework, the Large Image and Point Cloud Alignment Model (LAM3D), which utilizes 3D point cloud data to enhance the fidelity of generated 3D meshes. Our methodology begins with the development of a point-cloud-based network that effectively generates precise and meaningful latent tri-planes, laying the groundwork for accurate 3D mesh reconstruction. Building upon this, our Image-Point-Cloud Feature Alignment technique processes a single input image, aligning to the latent tri-planes to imbue image features with robust 3D information. This process not only enriches the image features but also facilitates the production of high-fidelity 3D meshes without the need for multi-view input, significantly reducing geometric distortions. Our approach achieves state-of-the-art high-fidelity 3D mesh reconstruction from a single image in just 6 seconds, and experiments on various datasets demonstrate its effectiveness.
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Referring 3D Segmentation is a visual-language task that segments all points of the specified object from a 3D point cloud described by a sentence of query. Previous works perform a two-stage paradigm, first conducting language-agnostic instance segmentation then matching with given text query. However, the semantic concepts from text query and visual cues are separately interacted during the training, and both instance and semantic labels for each object are required, which is time consuming and human-labor intensive. To mitigate these issues, we propose a novel Referring 3D Segmentation pipeline, Label-Efficient and Single-Stage, dubbed LESS, which is only under the supervision of efficient binary mask. Specifically, we design a Point-Word Cross-Modal Alignment module for aligning the fine-grained features of points and textual embedding. Query Mask Predictor module and Query-Sentence Alignment module are introduced for coarse-grained alignment between masks and query. Furthermore, we propose an area regularization loss, which coarsely reduces irrelevant background predictions on a large scale. Besides, a point-to-point contrastive loss is proposed concentrating on distinguishing points with subtly similar features. Through extensive experiments, we achieve state-of-the-art performance on ScanRefer dataset by surpassing the previous methods about 3.7% mIoU using only binary labels. Code is available at https://github.com/mellody11/LESS.
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Neural Architecture Search (NAS) methods seek effective optimization toward performance metrics regarding model accuracy and generalization while facing challenges regarding search costs and GPU resources. Recent Neural Tangent Kernel (NTK) NAS methods achieve remarkable search efficiency based on a training-free model estimate; however, they overlook the non-convex nature of the DNNs in the search process. In this paper, we develop Multi-Objective Training-based Estimate (MOTE) for efficient NAS, retaining search effectiveness and achieving the new state-of-the-art in the accuracy and cost trade-off. To improve NTK and inspired by the Training Speed Estimation (TSE) method, MOTE is designed to model the actual performance of DNNs from macro to micro perspective by draw loss landscape and convergence speed simultaneously. Using two reduction strategies, the MOTE is generated based on a reduced architecture and a reduced dataset. Inspired by evolutionary search, our iterative ranking-based, coarse-to-fine architecture search is highly effective. Experiments on NASBench-201 show MOTE-NAS achieves 94.32% accuracy on CIFAR-10, 72.81% on CIFAR-100, and 46.38% on ImageNet-16-120, outperforming NTK-based NAS approaches. An evaluation-free (EF) version of MOTE-NAS delivers high efficiency in only 5 minutes, delivering a model more accurate than KNAS.
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In-context learning (ICL) of large language models has proven to be a surprisingly effective method of learning a new task from only a few demonstrative examples. In this paper, we shed light on the efficacy of ICL from the viewpoint of statistical learning theory. We develop approximation and generalization error analyses for a transformer model composed of a deep neural network and one linear attention layer, pretrained on nonparametric regression tasks sampled from general function spaces including the Besov space and piecewise $\gamma$-smooth class. In particular, we show that sufficiently trained transformers can achieve -- and even improve upon -- the minimax optimal estimation risk in context by encoding the most relevant basis representations during pretraining. Our analysis extends to high-dimensional or sequential data and distinguishes the \emph{pretraining} and \emph{in-context} generalization gaps, establishing upper and lower bounds w.r.t. both the number of tasks and in-context examples. These findings shed light on the effectiveness of few-shot prompting and the roles of task diversity and representation learning for ICL.
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Recently, a wide range of memory-efficient LLM training algorithms have gained substantial popularity. These methods leverage the low-rank structure of gradients to project optimizer states into a subspace using projection matrix found by singular value decomposition (SVD). However, convergence of these algorithms is highly dependent on the update rules of their projection matrix. In this work, we provide the \emph{first} convergence guarantee for arbitrary update rules of projection matrix. This guarantee is generally applicable to optimizers that can be analyzed with Hamiltonian Descent, including most common ones, such as LION, Adam. Inspired by our theoretical understanding, we propose Online Subspace Descent, a new family of subspace descent optimizer without SVD. Instead of updating projection matrix with eigenvectors, Online Subspace Descent updates projection matrix wtih online PCA. Online Subspace Descent is flexible and introduces only minimum overhead to training. We demonstrate that, for the task of pretraining LLaMA models ranging from 60M to 1B parameters on the C4 dataset, Online Subspace Descent achieves lower perplexity than state-of-the-art low-rank training methods across different settings and narrows the gap with full-rank baselines.
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Recent advances in text-to-image models have enabled high-quality personalized image synthesis based on user-provided concepts with flexible textual control. In this work, we analyze the limitations of two primary techniques in text-to-image personalization: Textual Inversion and DreamBooth. When integrating the learned concept into new prompts, Textual Inversion tends to overfit the concept, while DreamBooth often overlooks it. We attribute these issues to the incorrect learning of the embedding alignment for the concept. To address this, we introduce AttnDreamBooth, a novel approach that separately learns the embedding alignment, the attention map, and the subject identity across different training stages. We also introduce a cross-attention map regularization term to enhance the learning of the attention map. Our method demonstrates significant improvements in identity preservation and text alignment compared to the baseline methods.
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In this paper, we study learning-augmented algorithms for the Bahncard problem. The Bahncard problem is a generalization of the ski-rental problem, where a traveler needs to irrevocably and repeatedly decide between a cheap short-term solution and an expensive long-term one with an unknown future. Even though the problem is canonical, only a primal-dual-based learning-augmented algorithm was explicitly designed for it. We develop a new learning-augmented algorithm, named PFSUM, that incorporates both history and short-term future to improve online decision making. We derive the competitive ratio of PFSUM as a function of the prediction error and conduct extensive experiments to show that PFSUM outperforms the primal-dual-based algorithm.
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Decision support systems based on prediction sets help humans solve multiclass classification tasks by narrowing down the set of potential label values to a subset of them, namely a prediction set, and asking them to always predict label values from the prediction sets. While this type of systems have been proven to be effective at improving the average accuracy of the predictions made by humans, by restricting human agency, they may cause harm---a human who has succeeded at predicting the ground-truth label of an instance on their own may have failed had they used these systems. In this paper, our goal is to control how frequently a decision support system based on prediction sets may cause harm, by design. To this end, we start by characterizing the above notion of harm using the theoretical framework of structural causal models. Then, we show that, under a natural, albeit unverifiable, monotonicity assumption, we can estimate how frequently a system may cause harm using only predictions made by humans on their own. Further, we also show that, under a weaker monotonicity assumption, which can be verified experimentally, we can bound how frequently a system may cause harm again using only predictions made by humans on their own. Building upon these assumptions, we introduce a computational framework to design decision support systems based on prediction sets that are guaranteed to cause harm less frequently than a user-specified value using conformal risk control. We validate our framework using real human predictions from two different human subject studies and show that, in decision support systems based on prediction sets, there is a trade-off between accuracy and counterfactual harm.
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Single-cell RNA sequencing (scRNA-seq) technologies enable the exploration of cellular heterogeneity and facilitate the construction of cell atlases. However, scRNA-seq data often contain a large portion of missing values (false zeros) or noisy values, hindering downstream analyses. To recover these false zeros, propagation-based imputation methods have been proposed using $k$-NN graphs. However they model only associating relationships among genes within a cell, while, according to well-known genetic evidence, there are both associating and dissociating relationships among genes. To apply this genetic evidence to gene-gene relationship modeling, this paper proposes a novel imputation method that newly employs dissociating relationships in addition to associating relationships. Our method constructs a $k$-NN graph to additionally model dissociating relationships via the negation of a given cell-gene matrix. Moreover, our method standardizes the value distribution (mean and variance) of each gene to have standard distributions regardless of the gene. Through extensive experiments, we demonstrate that the proposed method achieves exceptional performance gains over state-of-the-art methods in both cell clustering and gene expression recovery across six scRNA-seq datasets, validating the significance of using complete gene-gene relationships in accordance with genetic evidence. The source code is available at https://github.com/daehoum1/scCR.
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Biological sequences encode fundamental instructions for the building blocks of life, in the form of DNA, RNA, and proteins. Modeling these sequences is key to understand disease mechanisms and is an active research area in computational biology. Recently, Large Language Models have shown great promise in solving certain biological tasks but current approaches are limited to a single sequence modality (DNA, RNA, or protein). Key problems in genomics intrinsically involve multiple modalities, but it remains unclear how to adapt general-purpose sequence models to those cases. In this work we propose a multi-modal model that connects DNA, RNA, and proteins by leveraging information from different pre-trained modality-specific encoders. We demonstrate its capabilities by applying it to the largely unsolved problem of predicting how multiple \rna transcript isoforms originate from the same gene (i.e. same DNA sequence) and map to different transcription expression levels across various human tissues. We show that our model, dubbed IsoFormer, is able to accurately predict differential transcript expression, outperforming existing methods and leveraging the use of multiple modalities. Our framework also achieves efficient transfer knowledge from the encoders pre-training as well as in between modalities. We open-source our model, paving the way for new multi-modal gene expression approaches.
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Recurrent neural networks (RNNs) notoriously struggle to learn long-term memories, primarily due to vanishing and exploding gradients. The recent success of state-space models (SSMs), a subclass of RNNs, to overcome such difficulties challenges our theoretical understanding. In this paper, we delve into the optimization challenges of RNNs and discover that, as the memory of a network increases, changes in its parameters result in increasingly large output variations, making gradient-based learning highly sensitive, even without exploding gradients. Our analysis further reveals the importance of the element-wise recurrence design pattern combined with careful parametrizations in mitigating this effect. This feature is present in SSMs, as well as in other architectures, such as LSTMs. Overall, our insights provide a new explanation for some of the difficulties in gradient-based learning of RNNs and why some architectures perform better than others.
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The discovery of dynamical systems is crucial across a range of fields, including pharmacology, epidemiology, and physical sciences. *Accurate* and *interpretable* modeling of these systems is essential for understanding complex temporal processes, optimizing interventions, and minimizing adverse effects. In pharmacology, for example, precise modeling of drug dynamics is vital to maximize therapeutic efficacy while minimizing patient harm, as in chemotherapy. However, current models, often developed by human experts, are limited by high cost, lack of scalability, and restriction to existing human knowledge. In this paper, we present the **Data-Driven Discovery (D3)** framework, a novel approach leveraging Large Language Models (LLMs) to iteratively discover and refine interpretable models of dynamical systems, demonstrated here with pharmacological applications. Unlike traditional methods, D3 enables the LLM to propose, acquire, and integrate new features, validate, and compare dynamical systems models, uncovering new insights into pharmacokinetics. Experiments on a pharmacokinetic Warfarin dataset reveal that D3 identifies a new plausible model that is well-fitting, highlighting its potential for precision dosing in clinical applications.
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While advancements in NLP have significantly improved the performance of Large Language Models (LLMs) on tasks requiring vertical thinking, their lateral thinking capabilities remain under-explored and challenging to measure due to the complexity of assessing creative thought processes and the scarcity of relevant data. To address these challenges, we introduce SPLAT, a benchmark leveraging Situation Puzzles to evaluate and elicit LAteral Thinking of LLMs. This benchmark, containing 975 graded situation puzzles across three difficulty levels, employs a new multi-turn player-judge framework instead of the traditional model-based evaluation, which often necessitates a stronger evaluation model. This framework simulates an interactive game where the model (player) asks the evaluation model (judge) questions about an incomplete story to infer the full scenario. The judge answers based on a detailed reference scenario or evaluates if the player's predictions align with the reference one. This approach lessens dependence on more robust evaluation models, enabling the assessment of state-of-the-art LLMs. The experiments demonstrate that a robust evaluation model, such as WizardLM-2, closely matches human judgements in both intermediate question-answering and final scenario accuracy, achieving over 80% agreement--similar to the agreement levels among humans. Furthermore, applying data and reasoning processes from our benchmark to other lateral thinking-related benchmarks, e.g., RiddleSense and BrainTeaser, leads to performance enhancements. This suggests that our benchmark effectively evaluates and elicits the lateral thinking abilities of LLMs.
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We aim to understand the optimal PAC sample complexity in multiclass learning. While finiteness of the Daniely-Shalev-Shwartz (DS) dimension has been shown to characterize the PAC learnability of a concept class [Brukhim, Carmon, Dinur, Moran, and Yehudayoff, 2022], there exist polylog factor gaps in the leading term of the sample complexity. In this paper, we reduce the gap in terms of the dependence on the error parameter to a single log factor and also propose two possible routes towards completely resolving the optimal sample complexity, each based on a key open question we formulate: one concerning list learning with bounded list size, the other concerning a new type of shifting for multiclass concept classes. We prove that a positive answer to either of the two questions would completely resolve the optimal sample complexity up to log factors of the DS dimension.
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Topic models have been evolving rapidly over the years, from conventional to recent neural models. However, existing topic models generally struggle with either effectiveness, efficiency, or stability, highly impeding their practical applications. In this paper, we propose FASTopic, a fast, adaptive, stable, and transferable topic model. FASTopic follows a new paradigm: Dual Semantic-relation Reconstruction (DSR). Instead of previous conventional, VAE-based, or clustering-based methods, DSR directly models the semantic relations among document embeddings from a pretrained Transformer and learnable topic and word embeddings. By reconstructing through these semantic relations, DSR discovers latent topics. This brings about a neat and efficient topic modeling framework. We further propose a novel Embedding Transport Plan (ETP) method. Rather than early straightforward approaches, ETP explicitly regularizes the semantic relations as optimal transport plans. This addresses the relation bias issue and thus leads to effective topic modeling. Extensive experiments on benchmark datasets demonstrate that our FASTopic shows superior effectiveness, efficiency, adaptivity, stability, and transferability, compared to state-of-the-art baselines across various scenarios.
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This paper investigates simple bilevel optimization problems where we minimize a convex upper-level objective over the optimal solution set of a convex lower-level objective. Existing methods for such problems either only guarantee asymptotic convergence, have slow sublinear rates, or require strong assumptions. To address these challenges, we propose a penalization framework that delineates the relationship between approximate solutions of the original problem and its reformulated counterparts. This framework accommodates varying assumptions regarding smoothness and convexity, enabling the application of specific methods with different complexity results. Specifically, when both upper- and lower-level objectives are composite convex functions, under an $\alpha$-Hölderian error bound condition and certain mild assumptions, our algorithm attains an $(\epsilon,\epsilon^{\beta})$-optimal solution of the original problem for any $\beta> 0$ within $\mathcal{O}\left(\sqrt{{1}/{\epsilon^{\max\\{\alpha,\beta\\}}}}\right)$ iterations. The result can be improved further if the smooth part of the upper-level objective is strongly convex. We also establish complexity results when the upper- and lower-level objectives are general nonsmooth functions. Numerical experiments demonstrate the effectiveness of our algorithms.
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Privacy protection of users' entire contribution of samples is important in distributed systems. The most effective approach is the two-stage scheme, which finds a small interval first and then gets a refined estimate by clipping samples into the interval. However, the clipping operation induces bias, which is serious if the sample distribution is heavy-tailed. Besides, users with large local sample sizes can make the sensitivity much larger, thus the method is not suitable for imbalanced users. Motivated by these challenges, we propose a Huber loss minimization approach to mean estimation under user-level differential privacy. The connecting points of Huber loss can be adaptively adjusted to deal with imbalanced users. Moreover, it avoids the clipping operation, thus significantly reducing the bias compared with the two-stage approach. We provide a theoretical analysis of our approach, which gives the noise strength needed for privacy protection, as well as the bound of mean squared error. The result shows that the new method is much less sensitive to the imbalance of user-wise sample sizes and the tail of sample distributions. Finally, we perform numerical experiments to validate our theoretical analysis.
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Inter-frame modeling is pivotal in generating intermediate frames for video frame interpolation (VFI). Current approaches predominantly rely on convolution or attention-based models, which often either lack sufficient receptive fields or entail significant computational overheads. Recently, Selective State Space Models (S6) have emerged, tailored specifically for long sequence modeling, offering both linear complexity and data-dependent modeling capabilities. In this paper, we propose VFIMamba, a novel frame interpolation method for efficient and dynamic inter-frame modeling by harnessing the S6 model. Our approach introduces the Mixed-SSM Block (MSB), which initially rearranges tokens from adjacent frames in an interleaved fashion and subsequently applies multi-directional S6 modeling. This design facilitates the efficient transmission of information across frames while upholding linear complexity. Furthermore, we introduce a novel curriculum learning strategy that progressively cultivates proficiency in modeling inter-frame dynamics across varying motion magnitudes, fully unleashing the potential of the S6 model. Experimental findings showcase that our method attains state-of-the-art performance across diverse benchmarks, particularly excelling in high-resolution scenarios. In particular, on the X-TEST dataset, VFIMamba demonstrates a noteworthy improvement of 0.80 dB for 4K frames and 0.96 dB for 2K frames.
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Data valuation is a class of techniques for quantitatively assessing the value of data for applications like pricing in data marketplaces. Existing data valuation methods define a value for a discrete dataset. However, in many use cases, users are interested in not only the value of the dataset, but that of the distribution from which the dataset was sampled. For example, consider a buyer trying to evaluate whether to purchase data from different vendors. The buyer may observe (and compare) only a small preview sample from each vendor, to decide which vendor's data distribution is most useful to the buyer and purchase. The core question is how should we compare the values of data distributions from their samples? Under a Huber characterization of the data heterogeneity across vendors, we propose a maximum mean discrepancy (MMD)-based valuation method which enables theoretically principled and actionable policies for comparing data distributions from samples. We empirically demonstrate that our method is sample-efficient and effective in identifying valuable data distributions against several existing baselines, on multiple real-world datasets (e.g., network intrusion detection, credit card fraud detection) and downstream applications (classification, regression).
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Increased training parameters have enabled large pre-trained models to excel in various downstream tasks. Nevertheless, the extensive computational requirements associated with these models hinder their widespread adoption within the community. We focus on Knowledge Distillation (KD), where a compact student model is trained to mimic a larger teacher model, facilitating the transfer of knowledge of large models. In contrast to much of the previous work, we scale up the parameters of the student model during training, to benefit from over-parameterization without increasing the inference latency. In particular, we propose a tensor decomposition strategy that effectively over-parameterizes the relatively small student model through an efficient and nearly lossless decomposition of its parameter matrices into higher-dimensional tensors. To ensure efficiency, we further introduce a tensor constraint loss to align the high-dimensional tensors between the student and teacher models. Comprehensive experiments validate the significant performance enhancement by our approach in various KD tasks, covering computer vision and natural language processing areas. Our code is available at https://github.com/intell-sci-comput/OPDF.
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Mixed time series (MiTS) comprising both continuous variables (CVs) and discrete variables (DVs) are frequently encountered yet under-explored in time series analysis. Essentially, CVs and DVs exhibit different temporal patterns and distribution types. Overlooking these heterogeneities would lead to insufficient and imbalanced representation learning, bringing biased results. This paper addresses the problem with two insights: 1) DVs may originate from intrinsic latent continuous variables (LCVs), which lose fine-grained information due to extrinsic discretization; 2) LCVs and CVs share similar temporal patterns and interact spatially. Considering these similarities and interactions, we propose a general MiTS analysis framework MiTSformer, which recovers LCVs behind DVs for sufficient and balanced spatial-temporal modeling by designing two essential inductive biases: 1) hierarchically aggregating multi-scale temporal context information to enrich the information granularity of DVs; 2) adaptively learning the aggregation processes via the adversarial guidance from CVs. Subsequently, MiTSformer captures complete spatial-temporal dependencies within and across LCVs and CVs via cascaded self- and cross-attention blocks. Empirically, MiTSformer achieves consistent SOTA on five mixed time series analysis tasks, including classification, extrinsic regression, anomaly detection, imputation, and long-term forecasting. The code is available at https://github.com/chunhuiz/MiTSformer.
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Ontologies are useful for automatic machine processing of domain knowledge as they represent it in a structured format. Yet, constructing ontologies requires substantial manual effort. To automate part of this process, large language models (LLMs) have been applied to solve various subtasks of ontology learning. However, this partial ontology learning does not capture the interactions between subtasks. We address this gap by introducing OLLM, a general and scalable method for building the taxonomic backbone of an ontology from scratch. Rather than focusing on subtasks, like individual relations between entities, we model entire subcomponents of the target ontology by finetuning an LLM with a custom regulariser that reduces overfitting on high-frequency concepts. We introduce a novel suite of metrics for evaluating the quality of the generated ontology by measuring its semantic and structural similarity to the ground truth. In contrast to standard metrics, our metrics use deep learning techniques to define more robust distance measures between graphs. Both our quantitative and qualitative results on Wikipedia show that OLLM outperforms subtask composition methods, producing more semantically accurate ontologies while maintaining structural integrity. We further demonstrate that our model can be effectively adapted to new domains, like arXiv, needing only a small number of training examples. Our source code and datasets are available at https://github.com/andylolu2/ollm.
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Recent DETR-based methods have advanced the development of Video Instance Segmentation (VIS) through transformers' efficiency and capability in modeling spatial and temporal information. Despite harvesting remarkable progress, existing works follow asynchronous designs, which model video sequences via either video-level queries only or adopting query-sensitive cascade structures, resulting in difficulties when handling complex and challenging video scenarios. In this work, we analyze the cause of this phenomenon and the limitations of the current solutions, and propose to conduct synchronized modeling via a new framework named SyncVIS. Specifically, SyncVIS explicitly introduces video-level query embeddings and designs two key modules to synchronize video-level query with frame-level query embeddings: a synchronized video-frame modeling paradigm and a synchronized embedding optimization strategy. The former attempts to promote the mutual learning of frame- and video-level embeddings with each other and the latter divides large video sequences into small clips for easier optimization. Extensive experimental evaluations are conducted on the challenging YouTube-VIS 2019 & 2021 & 2022, and OVIS benchmarks, and SyncVIS achieves state-of-the-art results, which demonstrates the effectiveness and generality of the proposed approach. The code is available at https://github.com/rkzheng99/SyncVIS.
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Diffusion models recently proved to be remarkable priors for Bayesian inverse problems. However, training these models typically requires access to large amounts of clean data, which could prove difficult in some settings. In this work, we present a novel method based on the expectation-maximization algorithm for training diffusion models from incomplete and noisy observations only. Unlike previous works, our method leads to proper diffusion models, which is crucial for downstream tasks. As part of our method, we propose and motivate an improved posterior sampling scheme for unconditional diffusion models. We present empirical evidence supporting the effectiveness of our method.
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Evaluating large language models (LLMs) is challenging. Traditional ground-truth- based benchmarks fail to capture the comprehensiveness and nuance of real-world queries, while LLM-as-judge benchmarks suffer from grading biases and limited query quantity. Both of them may also become contaminated over time. User- facing evaluation, such as Chatbot Arena, provides reliable signals but is costly and slow. In this work, we propose MixEval, a new paradigm for establishing efficient, gold-standard LLM evaluation by strategically mixing off-the-shelf bench- marks. It bridges (1) comprehensive and well-distributed real-world user queries and (2) efficient and fairly-graded ground-truth-based benchmarks, by matching queries mined from the web with similar queries from existing benchmarks. Based on MixEval, we further build MixEval-Hard, which offers more room for model improvement. Our benchmarks’ advantages lie in (1) a 0.96 model ranking correlation with Chatbot Arena arising from the highly impartial query distribution and grading mechanism, (2) fast, cheap, and reproducible execution (6% of the time and cost of MMLU), and (3) dynamic evaluation enabled by the rapid and stable data update pipeline. We provide extensive meta-evaluation and analysis for our and existing LLM benchmarks to deepen the community’s understanding of LLM evaluation and guide future research directions.
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Despite the success of Multi-Agent Reinforcement Learning (MARL) algorithms in cooperative tasks, previous works, unfortunately, face challenges in heterogeneous scenarios since they simply disable parameter sharing for agent specialization. Sequential updating scheme was thus proposed, naturally diversifies agents by encouraging agents to learn from preceding ones. However, the exploration strategy in sequential scheme has not been investigated. Benefiting from updating one-by-one, agents have the access to the information from preceding agents. Thus, in this work, we propose to exploit the preceding information to enhance exploration and heterogeneity sequentially. We present Multi-Agent Divergence Policy Optimization (MADPO), equipped with mutual policy divergence maximization framework. We quantify the policy discrepancies between episodes to enhance exploration and between agents to heterogenize agents, termed intra-agent and inter-agent policy divergence. To address the issue that traditional divergence measurements lack stability and directionality, we propose to employ the conditional Cauchy-Schwarz divergence to provide entropy-guided exploration incentives. Extensive experiments show that the proposed method outperforms state-of-the-art sequential updating approaches in two challenging multi-agent tasks with various heterogeneous scenarios.
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Large language models (LLMs) exhibit hallucinations in long-form question-answering tasks across various domains and wide applications. Current hallucination detection and mitigation datasets are limited in domain and size, which struggle to scale due to prohibitive labor costs and insufficient reliability of existing hallucination annotators. To facilitate the scalable oversight of LLM hallucinations, this paper introduces an iterative self-training framework that simultaneously and progressively scales up the annotation dataset and improves the accuracy of the annotator. Based on the Expectation Maximization algorithm, in each iteration, the framework first applies an automatic hallucination annotation pipeline for a scaled dataset and then trains a more accurate annotator on the dataset. This new annotator is adopted in the annotation pipeline for the next iteration. Extensive experimental results demonstrate that the finally obtained hallucination annotator with only 7B parameters surpasses GPT-4 and obtains new state-of-the-art hallucination detection results on HaluEval and HalluQA by zero-shot inference. Such an annotator can not only evaluate the hallucination levels of various LLMs on the large-scale dataset but also help to mitigate the hallucination of LLMs generations, with the Natural Language Inference metric increasing from 25% to 37% on HaluEval.
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Offline preference optimization is a key method for enhancing and controlling the quality of Large Language Model (LLM) outputs. Typically, preference optimization is approached as an offline supervised learning task using manually crafted convex loss functions. While these methods are based on theoretical insights, they are inherently constrained by human creativity, so the large search space of possible loss functions remains under-explored. We address this by performing LLM-driven *objective discovery* to automatically discover new state-of-the-art preference optimization algorithms without (expert) human intervention. Specifically, we iteratively prompt an LLM to propose and implement new preference optimization loss functions based on previously evaluated performance metrics. This process leads to the discovery of previously unknown and performant preference optimization algorithms. The best performing of these we call *Discovered Preference Optimization* (DiscoPOP), a novel algorithm that adaptively blends logistic and exponential losses. Experiments demonstrate the state-of-the-art performance of DiscoPOP and its successful transfer to held-out tasks.
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A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an $n$-qubit gapped local Hamiltonian $H$ from only $n^{\mathcal{O}(1)}$ data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to $\mathcal{O}(\log 𝑛)$ samples when the geometry of the $n$-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size $n$, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.
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Score matching estimators for point processes have gained widespread attention in recent years because they do not require the calculation of intensity integrals, thereby effectively addressing the computational challenges in maximum likelihood estimation (MLE). Some existing works have proposed score matching estimators for point processes. However, this work demonstrates that the incompleteness of the estimators proposed in those works renders them applicable only to specific problems, and they fail for more general point processes. To address this issue, this work introduces the weighted score matching estimator to point processes. Theoretically, we prove the consistency of the estimator we propose. Experimental results indicate that our estimator accurately estimates model parameters on synthetic data and yields results consistent with MLE on real data. In contrast, existing score matching estimators fail to perform effectively. Codes are publicly available at \url{https://github.com/KenCao2007/WSM_TPP}.
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The learnware paradigm aims to enable users to leverage numerous existing well-trained models instead of building machine learning models from scratch. In this paradigm, developers worldwide can submit their well-trained models spontaneously into a learnware dock system, and the system helps developers generate specification for each model to form a learnware. As the key component, a specification should characterize the capabilities of the model, enabling it to be adequately identified and reused, while preserving the developer's original data. Recently, the RKME (Reduced Kernel Mean Embedding) specification was proposed and most commonly utilized. This paper provides a theoretical analysis of RKME specification about its preservation ability for developer's training data. By modeling it as a geometric problem on manifolds and utilizing tools from geometric analysis, we prove that the RKME specification is able to disclose none of the developer's original data and possesses robust defense against common inference attacks, while preserving sufficient information for effective learnware identification.
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Convolutions (Convs) and multi-head self-attentions (MHSAs) are typically considered alternatives to each other for building vision backbones. Although some works try to integrate both, they apply the two operators simultaneously at the finest pixel granularity. With Convs responsible for per-pixel feature extraction already, the question is whether we still need to include the heavy MHSAs at such a fine-grained level. In fact, this is the root cause of the scalability issue w.r.t. the input resolution for vision transformers. To address this important problem, we propose in this work to use MSHAs and Convs in parallel \textbf{at different granularity levels} instead. Specifically, in each layer, we use two different ways to represent an image: a fine-grained regular grid and a coarse-grained set of semantic slots. We apply different operations to these two representations: Convs to the grid for local features, and MHSAs to the slots for global features. A pair of fully differentiable soft clustering and dispatching modules is introduced to bridge the grid and set representations, thus enabling local-global fusion. Through extensive experiments on various vision tasks, we empirically verify the potential of the proposed integration scheme, named \textit{GLMix}: by offloading the burden of fine-grained features to light-weight Convs, it is sufficient to use MHSAs in a few (e.g., 64) semantic slots to match the performance of recent state-of-the-art backbones, while being more efficient. Our visualization results also demonstrate that the soft clustering module produces a meaningful semantic grouping effect with only IN1k classification supervision, which may induce better interpretability and inspire new weakly-supervised semantic segmentation approaches. Code will be available at \url{https://github.com/rayleizhu/GLMix}.
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Differential privacy with gradual expiration models the setting where data items arrive in a stream and at a given time $t$ the privacy loss guaranteed for a data item seen at time $(t-d)$ is $\epsilon g(d)$, where $g$ is a monotonically non-decreasing function. We study the fundamental *continual (binary) counting* problem where each data item consists of a bit and the algorithm needs to output at each time step the sum of all the bits streamed so far. For a stream of length $T$ and privacy *without* expiration continual counting is possible with maximum (over all time steps) additive error $O(\log^2(T)/\varepsilon)$ and the best known lower bound is $\Omega(\log(T)/\varepsilon)$; closing this gap is a challenging open problem. We show that the situation is very different for privacy with gradual expiration by giving upper and lower bounds for a large set of expiration functions $g$. Specifically, our algorithm achieves an additive error of $O(\log(T)/\epsilon)$ for a large set of privacy expiration functions. We also give a lower bound that shows that if $C$ is the additive error of any $\epsilon$-DP algorithm for this problem, then the product of $C$ and the privacy expiration function after $2C$ steps must be $\Omega(\log(T)/\epsilon)$. Our algorithm matches this lower bound as its additive error is $O(\log(T)/\epsilon)$, even when $g(2C) = O(1)$. Our empirical evaluation shows that we achieve a slowly growing privacy loss that has significantly smaller empirical privacy loss for large values of $d$ than a natural baseline algorithm.
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Machine unlearning (MU) empowers individuals with the `right to be forgotten' by removing their private or sensitive information encoded in machine learning models. However, it remains uncertain whether MU can be effectively applied to Multimodal Large Language Models (MLLMs), particularly in scenarios of forgetting the leaked visual data of concepts. To overcome the challenge, we propose an efficient method, Single Image Unlearning (SIU), to unlearn the visual recognition of a concept by fine-tuning a single associated image for few steps. SIU consists of two key aspects: (i) Constructing Multifaceted fine-tuning data. We introduce four targets, based on which we construct fine-tuning data for the concepts to be forgotten; (ii) Joint training loss. To synchronously forget the visual recognition of concepts and preserve the utility of MLLMs, we fine-tune MLLMs through a novel Dual Masked KL-divergence Loss combined with Cross Entropy loss. Alongside our method, we establish MMUBench, a new benchmark for MU in MLLMs and introduce a collection of metrics for its evaluation. Experimental results on MMUBench show that SIU completely surpasses the performance of existing methods. Furthermore, we surprisingly find that SIU can avoid invasive membership inference attacks and jailbreak attacks. To the best of our knowledge, we are the first to explore MU in MLLMs. We will release the code and benchmark in the near future.
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We study a class of optimization problems in the Wasserstein space (the space of probability measures) where the objective function is nonconvex along generalized geodesics. Specifically, the objective exhibits some difference-of-convex structure along these geodesics. The setting also encompasses sampling problems where the logarithm of the target distribution is difference-of-convex. We derive multiple convergence insights for a novel semi Forward-Backward Euler scheme under several nonconvex (and possibly nonsmooth) regimes. Notably, the semi Forward-Backward Euler is just a slight modification of the Forward-Backward Euler whose convergence is---to our knowledge---still unknown in our very general non-geodesically-convex setting.
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Going beyond mimicking limited human experiences, recent studies show initial evidence that, like humans, large language models (LLMs) are capable of improving their abilities purely by self-correction, i.e., correcting previous responses through self-examination, as seen in models like OpenAI o1. Nevertheless, little is known about how such capabilities arise. In this work, based on a simplified setup akin to an alignment task, we theoretically analyze self-correction from an in-context learning perspective, showing that when LLMs give relatively accurate self-examinations as rewards, they are capable of refining responses in an in-context way. Notably, going beyond previous theories on over-simplified linear transformers, our theoretical construction underpins the roles of several key designs of realistic transformers for self-correction: softmax attention, multi-head attention, and the MLP block. We validate these findings extensively on synthetic datasets. Inspired by these findings, we propose a simple self-correction strategy, Checking as Context (CaC), which finds novel applications in alleviating social bias and defending against LLM jailbreaks. We believe that these findings will inspire further research on understanding, exploiting, and enhancing self-correction for building better foundation models. Code is at https://github.com/yifeiwang77/Self-Correction.
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Despite their strong performances on many generative tasks, diffusion models require a large number of sampling steps in order to generate realistic samples. This has motivated the community to develop effective methods to distill pre-trained diffusion models into more efficient models, but these methods still typically require few-step inference or perform substantially worse than the underlying model. In this paper, we present Score Implicit Matching (SIM) a new approach to distilling pre-trained diffusion models into single-step generator models, while maintaining almost the same sample generation ability as the original model as well as being data-free with no need of training samples for distillation. The method rests upon the fact that, although the traditional score-based loss is intractable to minimize for generator models, under certain conditions we \emph{can} efficiently compute the \emph{gradients} for a wide class of score-based divergences between a diffusion model and a generator. SIM shows strong empirical performances for one-step generators: on the CIFAR10 dataset, it achieves an FID of 2.06 for unconditional generation and 1.96 for class-conditional generation. Moreover, by applying SIM to a leading transformer-based diffusion model, we distill a single-step generator for text-to-image (T2I) generation that attains an aesthetic score of 6.42 with no performance decline over the original multi-step counterpart, clearly outperforming the other one-step generators including SDXL-TURBO of 5.33, SDXL-LIGHTNING of 5.34 and HYPER-SDXL of 5.85. We will release this industry-ready one-step transformer-based T2I generator along with this paper.
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The explainability of deep neural networks (DNNs) is critical for trust and reliability in AI systems. Path-based attribution methods, such as integrated gradients (IG), aim to explain predictions by accumulating gradients along a path from a baseline to the target image. However, noise accumulated during this process can significantly distort the explanation. While existing methods primarily concentrate on finding alternative paths to circumvent noise, they overlook a critical issue: intermediate-step images frequently diverge from the distribution of training data, further intensifying the impact of noise. This work presents a novel Denoising Diffusion Path (DDPath) to tackle this challenge by harnessing the power of diffusionmodels for denoising. By exploiting the inherent ability of diffusion models to progressively remove noise from an image, DDPath constructs a piece-wise linear path. Each segment of this path ensures that samples drawn from a Gaussian distribution are centered around the target image. This approach facilitates a gradual reduction of noise along the path. We further demonstrate that DDPath adheres to essential axiomatic properties for attribution methods and can be seamlessly integrated with existing methods such as IG. Extensive experimental results demonstrate that DDPath can significantly reduce noise in the attributions—resulting in clearer explanations—and achieves better quantitative results than traditional path-based methods.
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In image editing, Denoising Diffusion Implicit Models (DDIM) inversion has become a widely adopted method and is extensively used in various image editing approaches. The core concept of DDIM inversion stems from the deterministic sampling technique of DDIM, which allows the DDIM process to be viewed as an Ordinary Differential Equation (ODE) process that is reversible. This enables the prediction of corresponding noise from a reference image, ensuring that the restored image from this noise remains consistent with the reference image. Image editing exploits this property by modifying the cross-attention between text and images to edit specific objects while preserving the remaining regions. However, in the DDIM inversion, using the $t-1$ time step to approximate the noise prediction at time step $t$ introduces errors between the restored image and the reference image. Recent approaches have modeled each step of the DDIM inversion process as finding a fixed-point problem of an implicit function. This approach significantly mitigates the error in the restored image but lacks theoretical support regarding the existence of such fixed points. Therefore, this paper focuses on the study of fixed points in DDIM inversion and provides theoretical support. Based on the obtained theoretical insights, we further optimize the loss function for the convergence of fixed points in the original DDIM inversion, improving the visual quality of the edited image. Finally, we extend the fixed-point based image editing to the application of unsupervised image dehazing, introducing a novel text-based approach for unsupervised dehazing.
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Humans excel at detecting and segmenting moving objects according to the {\it Gestalt} principle of “common fate”. Remarkably, previous works have shown that human perception generalizes this principle in a zero-shot fashion to unseen textures or random dots. In this work, we seek to better understand the computational basis for this capability by evaluating a broad range of optical flow models and a neuroscience inspired motion energy model for zero-shot figure-ground segmentation of random dot stimuli. Specifically, we use the extensively validated motion energy model proposed by Simoncelli and Heeger in 1998 which is fitted to neural recordings in cortex area MT. We find that a cross section of 40 deep optical flow models trained on different datasets struggle to estimate motion patterns in random dot videos, resulting in poor figure-ground segmentation performance. Conversely, the neuroscience-inspired model significantly outperforms all optical flow models on this task. For a direct comparison to human perception, we conduct a psychophysical study using a shape identification task as a proxy to measure human segmentation performance. All state-of-the-art optical flow models fall short of human performance, but only the motion energy model matches human capability. This neuroscience-inspired model successfully addresses the lack of human-like zero-shot generalization to random dot stimuli in current computer vision models, and thus establishes a compelling link between the Gestalt psychology of human object perception and cortical motion processing in the brain. Code, models and datasets are available at https://github.com/mtangemann/motion_energy_segmentation
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This paper considers the problem of sampling from non-logconcave distribution, based on queries of its unnormalized density. It first describes a framework, Denoising Diffusion Monte Carlo (DDMC), based on the simulation of a denoising diffusion process with its score function approximated by a generic Monte Carlo estimator. DDMC is an oracle-based meta-algorithm, where its oracle is the assumed access to samples that generate a Monte Carlo score estimator. Then we provide an implementation of this oracle, based on rejection sampling, and this turns DDMC into a true algorithm, termed Zeroth-Order Diffusion Monte Carlo (ZOD-MC). We provide convergence analyses by first constructing a general framework, i.e. a performance guarantee for DDMC, without assuming the target distribution to be log-concave or satisfying any isoperimetric inequality. Then we prove that ZOD-MC admits an inverse polynomial dependence on the desired sampling accuracy, albeit still suffering from the curse of dimensionality. Consequently, for low dimensional distributions, ZOD-MC is a very efficient sampler, with performance exceeding latest samplers, including also-denoising-diffusion-based RDMC and RSDMC. Last, we experimentally demonstrate the insensitivity of ZOD-MC to increasingly higher barriers between modes or discontinuity in non-convex potential.
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Graph Neural Networks (GNNs) are non-Euclidean deep learning models for graph-structured data. Despite their successful and diverse applications, oversmoothing prohibits deep architectures due to node features converging to a single fixed point. This severely limits their potential to solve complex tasks. To counteract this tendency, we propose a plug-and-play module consisting of three steps: Cluster→Normalize→Activate (CNA). By applying CNA modules, GNNs search and form super nodes in each layer, which are normalized and activated individually. We demonstrate in node classification and property prediction tasks that CNA significantly improves the accuracy over the state-of-the-art. Particularly, CNA reaches 94.18% and 95.75% accuracy on Cora and CiteSeer, respectively. It further benefits GNNs in regression tasks as well, reducing the mean squared error compared to all baselines. At the same time, GNNs with CNA require substantially fewer learnable parameters than competing architectures.
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Over the past few years, research on deep graph learning has shifted from static graphs to temporal graphs in response to real-world complex systems that exhibit dynamic behaviors. In practice, temporal graphs are formalized as an ordered sequence of static graph snapshots observed at discrete time points. Sequence models such as RNNs or Transformers have long been the predominant backbone networks for modeling such temporal graphs. Yet, despite the promising results, RNNs struggle with long-range dependencies, while transformers are burdened by quadratic computational complexity. Recently, state space models (SSMs), which are framed as discretized representations of an underlying continuous-time linear dynamical system, have garnered substantial attention and achieved breakthrough advancements in independent sequence modeling. In this work, we undertake a principled investigation that extends SSM theory to temporal graphs by integrating structural information into the online approximation objective via the adoption of a Laplacian regularization term. The emergent continuous-time system introduces novel algorithmic challenges, thereby necessitating our development of GraphSSM, a graph state space model for modeling the dynamics of temporal graphs. Extensive experimental results demonstrate the effectiveness of our GraphSSM framework across various temporal graph benchmarks.
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Mobility impairment caused by limb loss, aging, stroke, and other movement deficiencies is a significant challenge faced by millions of individuals worldwide. Advanced assistive technologies, such as prostheses and orthoses, have the potential to greatly improve the quality of life for such individuals. A critical component in the design of these technologies is the accurate forecasting of reference joint motion for impaired limbs, which is hindered by the scarcity of joint locomotion data available for these patients. To address this, we propose ReMAP, a novel model repurposing strategy that leverages deep learning's reprogramming property, incorporating network inversion principles and retrieval-augmented mapping. Our approach adapts models originally designed for able-bodied individuals to forecast joint motion in limb-impaired patients without altering model parameters. We demonstrate the efficacy of ReMAP through extensive empirical studies on data from below-knee amputated patients, showcasing significant improvements over traditional transfer learning and fine-tuning methods. These findings have significant implications for advancing assistive technology and mobility for patients with amputations, stroke, or aging.
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Current state-of-the-art methods for differentially private model training are based on matrix factorization techniques. However, these methods suffer from high computational overhead because they require numerically solving a demanding optimization problem to determine an approximately optimal factorization prior to the actual model training. In this work, we present a new matrix factorization approach, BSR, which overcomes this computational bottleneck. By exploiting properties of the standard matrix square root, BSR allows to efficiently handle also large-scale problems. For the key scenario of stochastic gradient descent with momentum and weight decay, we even derive analytical expressions for BSR that render the computational overhead negligible. We prove bounds on the approximation quality that hold both in the centralized and in the federated learning setting. Our numerical experiments demonstrate that models trained using BSR perform on par with the best existing methods, while completely avoiding their computational overhead.
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Current 4D generation methods have achieved noteworthy efficacy with the aid of advanced diffusion generative models. However, these methods lack multi-view spatial-temporal modeling and encounter challenges in integrating diverse prior knowledge from multiple diffusion models, resulting in inconsistent temporal appearance and flickers. In this paper, we propose a novel 4D generation pipeline, namely $\textbf{4Diffusion}$, aimed at generating spatial-temporally consistent 4D content from a monocular video. We first design a unified diffusion model tailored for multi-view video generation by incorporating a learnable motion module into a frozen 3D-aware diffusion model to capture multi-view spatial-temporal correlations. After training on a curated dataset, our diffusion model acquires reasonable temporal consistency and inherently preserves the generalizability and spatial consistency of the 3D-aware diffusion model. Subsequently, we propose 4D-aware Score Distillation Sampling loss, which is based on our multi-view video diffusion model, to optimize 4D representation parameterized by dynamic NeRF. This aims to eliminate discrepancies arising from multiple diffusion models, allowing for generating spatial-temporally consistent 4D content. Moreover, we devise an anchor loss to enhance the appearance details and facilitate the learning of dynamic NeRF. Extensive qualitative and quantitative experiments demonstrate that our method achieves superior performance compared to previous methods.
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When solving ill-posed inverse problems, one often desires to explore the space of potential solutions rather than be presented with a single plausible reconstruction. Valuable insights into these feasible solutions and their associated probabilities are embedded in the posterior distribution. However, when confronted with data of high dimensionality (such as images), visualizing this distribution becomes a formidable challenge, necessitating the application of effective summarization techniques before user examination. In this work, we introduce a new approach for visualizing posteriors across multiple levels of granularity using *tree*-valued predictions. Our method predicts a tree-valued hierarchical summarization of the posterior distribution for any input measurement, in a single forward pass of a neural network. We showcase the efficacy of our approach across diverse datasets and image restoration challenges, highlighting its prowess in uncertainty quantification and visualization. Our findings reveal that our method performs comparably to a baseline that hierarchically clusters samples from a diffusion-based posterior sampler, yet achieves this with orders of magnitude greater speed. Code and examples are available at our [webpage](https://eliasnehme.github.io/PosteriorTrees/).
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In this study, we aim to reduce generation latency for Named Entity Recognition (NER) with Large Language Models (LLMs). The main cause of high latency in LLMs is the sequential decoding process, which autoregressively generates all labels and mentions for NER, significantly increase the sequence length. To this end, we introduce Parallel Decoding in LLM for NE} (PaDeLLM-NER), a approach that integrates seamlessly into existing generative model frameworks without necessitating additional modules or architectural modifications. PaDeLLM-NER allows for the simultaneous decoding of all mentions, thereby reducing generation latency. Experiments reveal that PaDeLLM-NER significantly increases inference speed that is 1.76 to 10.22 times faster than the autoregressive approach for both English and Chinese. Simultaneously it maintains the quality of predictions as evidenced by the performance that is on par with the state-of-the-art across various datasets. All resources are available at https://github.com/GeorgeLuImmortal/PaDeLLM_NER.
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Out-of-distribution (OOD) detection is crucial for ensuring reliable deployment of machine learning models. Recent advancements focus on utilizing easily accessible auxiliary outliers (e.g., data from the web or other datasets) in training. However, we experimentally reveal that these methods still struggle to generalize their detection capabilities to unknown OOD data, due to the limited diversity of the auxiliary outliers collected. Therefore, we thoroughly examine this problem from the generalization perspective and demonstrate that a more diverse set of auxiliary outliers is essential for enhancing the detection capabilities. However, in practice, it is difficult and costly to collect sufficiently diverse auxiliary outlier data. Therefore, we propose a simple yet practical approach with a theoretical guarantee, termed Diversity-induced Mixup for OOD detection (diverseMix), which enhances the diversity of auxiliary outlier set for training in an efficient way. Extensive experiments show that diverseMix achieves superior performance on commonly used and recent challenging large-scale benchmarks, which further confirm the importance of the diversity of auxiliary outliers.
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Collaborative trajectory prediction can comprehensively forecast the future motion of objects through multi-view complementary information. However, it encounters two main challenges in multi-drone collaboration settings. The expansive aerial observations make it difficult to generate precise Bird's Eye View (BEV) representations. Besides, excessive interactions can not meet real-time prediction requirements within the constrained drone-based communication bandwidth. To address these problems, we propose a novel framework named "Drones Help Drones" (DHD). Firstly, we incorporate the ground priors provided by the drone's inclined observation to estimate the distance between objects and drones, leading to more precise BEV generation. Secondly, we design a selective mechanism based on the local feature discrepancy to prioritize the critical information contributing to prediction tasks during inter-drone interactions. Additionally, we create the first dataset for multi-drone collaborative prediction, named "Air-Co-Pred", and conduct quantitative and qualitative experiments to validate the effectiveness of our DHD framework. The results demonstrate that compared to state-of-the-art approaches, DHD reduces position deviation in BEV representations by over 20\% and requires only a quarter of the transmission ratio for interactions while achieving comparable prediction performance. Moreover, DHD also shows promising generalization to the collaborative 3D object detection in CoPerception-UAVs.
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We investigate the problem of universal online learning with gradient-variation regret. Universal online learning aims to achieve regret guarantees without prior knowledge of the curvature of the online functions. Moreover, we study the problem-dependent gradient-variation regret as it plays a crucial role in bridging stochastic and adversarial optimization as well as game theory. In this work, we design a universal approach with the *optimal* gradient-variation regret simultaneously for strongly convex, exp-concave, and convex functions, thus addressing an open problem highlighted by [Yan et al. [2023]](https://openreview.net/forum?id=AA1xrgAP5z). Our approach is *simple* since it is algorithmically efficient-to-implement with a two-layer online ensemble structure and only $1$ gradient query per round, and theoretically easy-to-analyze with a novel and alternative analysis to the gradient-variation regret. Concretely, previous works on gradient variations require controlling the algorithmic stability, which is challenging and leads to sub-optimal regret and less efficient algorithm design. Our analysis overcomes this issue by using a Bregman divergence negative term from linearization and a useful smoothness property.
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Among the research topics in multi-agent learning, mixed-motive cooperation is one of the most prominent challenges, primarily due to the mismatch between individual and collective goals. The cutting-edge research is focused on incorporating domain knowledge into rewards and introducing additional mechanisms to incentivize cooperation. However, these approaches often face shortcomings such as the effort on manual design and the absence of theoretical groundings. To close this gap, we model the mixed-motive game as a differentiable game for the ease of illuminating the learning dynamics towards cooperation. More detailed, we introduce a novel optimization method named \textbf{\textit{A}}ltruistic \textbf{\textit{G}}radient \textbf{\textit{A}}djustment (\textbf{\textit{AgA}}) that employs gradient adjustments to progressively align individual and collective objectives. Furthermore, we theoretically prove that AgA effectively attracts gradients to stable fixed points of the collective objective while considering individual interests, and we validate these claims with empirical evidence. We evaluate the effectiveness of our algorithm AgA through benchmark environments for testing mixed-motive collaboration with small-scale agents such as the two-player public good game and the sequential social dilemma games, Cleanup and Harvest, as well as our self-developed large-scale environment in the game StarCraft II.
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The operations and maintenance of satellite networks heavily depend on traffic measurements. Due to the large-scale and highly dynamic nature of satellite networks, global measurement encounters significant challenges in terms of complexity and overhead. Estimating global network traffic data from partial traffic measurements is a promising solution. However, the majority of current estimation methods concentrate on low-rank linear decomposition, which is unable to accurately estimate. The reason lies in its inability to capture the intricate nonlinear spatio-temporal relationship found in large-scale, highly dynamic traffic data. This paper proposes Satformer, an accurate and robust method for estimating traffic data in satellite networks. In Satformer, we innovatively incorporate an adaptive sparse spatio-temporal attention mechanism. In the mechanism, more attention is paid to specific local regions of the input tensor to improve the model's sensitivity on details and patterns. This method enhances its capability to capture nonlinear spatio-temporal relationships. Experiments on small, medium, and large-scale satellite networks datasets demonstrate that Satformer outperforms mathematical and neural baseline methods notably. It provides substantial improvements in reducing errors and maintaining robustness, especially for larger networks. The approach shows promise for deployment in actual systems.
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We introduce CogVLM, a powerful open-source visual language foundation model. Different from the popular \emph{shallow alignment} method which maps image features into the input space of language model, CogVLM bridges the gap between the frozen pretrained language model and image encoder by a trainable visual expert module in the attention and FFN layers. As a result, CogVLM enables a deep fusion of vision language features without sacrificing any performance on NLP tasks. CogVLM-17B achieves state-of-the-art performance on 17 classic cross-modal benchmarks, including 1) image captioning datasets: NoCaps, Flicker30k, 2) VQA datasets: OKVQA, TextVQA, OCRVQA, ScienceQA, 3) LVLM benchmarks: MM-Vet, MMBench, SEED-Bench, LLaVABench, POPE, MMMU, MathVista, 4) visual grounding datasets: RefCOCO, RefCOCO+, RefCOCOg, Visual7W. Codes and checkpoints are available at Github.
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Out-of-distribution (OOD) detection is critical when deploying machine learning models in the real world. Outlier exposure methods, which incorporate auxiliary outlier data in the training process, can drastically improve OOD detection performance compared to approaches without advanced training strategies. We introduce Hopfield Boosting, a boosting approach, which leverages modern Hopfield energy to sharpen the decision boundary between the in-distribution and OOD data. Hopfield Boosting encourages the model to focus on hard-to-distinguish auxiliary outlier examples that lie close to the decision boundary between in-distribution and auxiliary outlier data. Our method achieves a new state-of-the-art in OOD detection with outlier exposure, improving the FPR95 from 2.28 to 0.92 on CIFAR-10, from 11.76 to 7.94 on CIFAR-100, and from 50.74 to 36.60 on ImageNet-1K.
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Continual learning (CL) aims to help deep neural networks to learn new knowledge while retaining what has been learned. Owing to their powerful generalizability, pre-trained vision-language models such as Contrastive Language-Image Pre-training (CLIP) have lately gained traction as practical CL candidates. However, the domain mismatch between the pre-training and the downstream CL tasks calls for finetuning of the CLIP on the latter. The deterministic nature of the existing finetuning methods makes them overlook the many possible interactions across the modalities and deems them unsafe for high-risk tasks requiring reliable uncertainty estimation. To address these, our work proposes **C**ontinual **L**e**A**rning with **P**robabilistic finetuning (CLAP) - a probabilistic modeling framework over visual-guided text features per task, thus providing more calibrated CL finetuning. Unlike recent data-hungry anti-forgetting CL techniques, CLAP alleviates forgetting by exploiting the rich pre-trained knowledge of CLIP for weight initialization and distribution regularization of task-specific parameters. Cooperating with the diverse range of existing prompting methods, CLAP can surpass the predominant deterministic finetuning approaches for CL with CLIP. We conclude with out-of-the-box applications of superior uncertainty estimation abilities of CLAP including novel data detection and exemplar selection within the existing CL setups. Our code is available at https://github.com/srvCodes/clap4clip.
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A critical question about Large Language Models (LLMs) is whether their apparent deficiency in mathematical reasoning is inherent, or merely a result of insufficient exposure to high-quality mathematical data. To explore this, we developed an automated method for generating high-quality, supervised mathematical datasets. The method carefully mutates existing math problems, ensuring both diversity and validity of the newly generated problems. This is achieved by a neuro-symbolic data generation framework combining the intuitive informalization strengths of LLMs, and the precise symbolic reasoning of math solvers along with projected Markov chain Monte Carlo sampling in the highly-irregular symbolic space. Empirical experiments demonstrate the high quality of data generated by the proposed method, and that the LLMs, specifically LLaMA-2 and Mistral, when realigned with the generated data, surpass their state-of-the-art counterparts.
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With the continued advancement of Large Language Models (LLMs) Agents in reasoning, planning, and decision-making, benchmarks have become crucial in evaluating these skills. However, there is a notable gap in benchmarks for real-time strategic decision-making. StarCraft II (SC2), with its complex and dynamic nature, serves as an ideal setting for such evaluations. To this end, we have developed TextStarCraft II, a specialized environment for assessing LLMs in real-time strategic scenarios within SC2. Addressing the limitations of traditional Chain of Thought (CoT) methods, we introduce the Chain of Summarization (CoS) method, enhancing LLMs' capabilities in rapid and effective decision-making. Our key experiments included: 1. LLM Evaluation: Tested 10 LLMs in TextStarCraft II, most of them defeating LV5 build-in AI, showcasing effective strategy skills. 2. Commercial Model Knowledge: Evaluated four commercial models on SC2 knowledge; GPT-4 ranked highest by Grandmaster-level experts. 3. Human-AI Matches: Experimental results showed that fine-tuned LLMs performed on par with Gold-level players in real-time matches, demonstrating comparable strategic abilities. All code and data from this study have been made pulicly available at https://github.com/histmeisah/Large-Language-Models-play-StarCraftII
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The problem of heterogeneous clients in federated learning has recently drawn a lot of attention. Spectral model sharding, i.e., partitioning the model parameters into low-rank matrices based on the singular value decomposition, has been one of the proposed solutions for more efficient on-device training in such settings. In this work we present two sampling strategies for such sharding, obtained as solutions to specific optimization problems. The first produces unbiased estimators of the original weights, while the second aims to minimize the squared approximation error. We discuss how both of these estimators can be incorporated in the federated learning loop and practical considerations that arise during local training. Empirically, we demonstrate that both of these methods can lead to improved performance in various commonly used datasets.
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Pre-trained vision-language models (e.g., CLIP) have shown powerful zero-shot transfer capabilities. But they still struggle with domain shifts and typically require labeled data to adapt to downstream tasks, which could be costly. In this work, we aim to leverage unlabeled data that naturally spans multiple domains to enhance the transferability of vision-language models. Under this unsupervised multi-domain setting, we have identified inherent model bias within CLIP, notably in its visual and text encoders. Specifically, we observe that CLIP’s visual encoder tends to prioritize encoding domain over discriminative category information, meanwhile its text encoder exhibits a preference for domain-relevant classes. To mitigate this model bias, we propose a training-free and label-free feature calibration method, Unsupervised Multi-domain Feature Calibration (UMFC). UMFC estimates image-level biases from domain-specific features and text-level biases from the direction of domain transition. These biases are subsequently subtracted from original image and text features separately, to render them domain-invariant. We evaluate our method on multiple settings including transductive learning and test-time adaptation. Extensive experiments show that our method outperforms CLIP and performs on par with the state-of-the-arts that need additional annotations or optimization. Our code is available at https://github.com/GIT-LJc/UMFC.
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Radar signal interpretation plays a crucial role in remote detection and ranging. With the gradual display of the advantages of neural network technology in signal processing, learning-based radar signal interpretation is becoming a research hot-spot and made great progress. And since radar semantic segmentation (RSS) can provide more fine-grained target information, it has become a more concerned direction in this field. However, the temporal information, which is an important clue for analyzing radar data, has not been exploited sufficiently in present RSS frameworks. In this work, we propose a novel temporal information learning paradigm, i.e., data-driven temporal information aggregation with learned target-history relations. Following this idea, a flexible learning module, called Temporal Relation-Aware Module (TRAM) is carefully designed. TRAM contains two main blocks: i) an encoder for capturing the target-history temporal relations (TH-TRE) and ii) a learnable temporal relation attentive pooling (TRAP) for aggregating temporal information. Based on TRAM, an end-to-end Temporal-Aware RSS Network (TARSS-Net) is presented, which has outstanding performance on publicly available and our collected real-measured datasets. Code and supplementary materials are available at https://github.com/zlw9161/TARSS-Net.
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We study a typical optimization model where the optimization variable is composed of multiple probability distributions. Though the model appears frequently in practice, such as for policy problems, it lacks specific analysis in the general setting. For this optimization problem, we propose a new structural condition/landscape description named generalized quasar-convexity (GQC) beyond the realms of convexity. In contrast to original quasar-convexity \citep{hinder2020near}, GQC allows an individual quasar-convex parameter $\gamma_i$ for each variable block $i$ and the smaller of $\gamma_i$ implies less block-convexity. To minimize the objective function, we consider a generalized oracle termed as the internal function that includes the standard gradient oracle as a special case. We provide optimistic mirror descent (OMD) for multiple distributions and prove that the algorithm can achieve an adaptive $\tilde{\mathcal{O}}((\sum_{i=1}^d1/\gamma_i)\epsilon^{-1})$ iteration complexity to find an $\varepsilon$-suboptimal global solution without pre-known the exact values of $\gamma_i$ when the objective admits ``polynomial-like'' structural. Notably, it achieves iteration complexity that does not explicitly depend on the number of distributions and strictly faster $(\sum_{i=1}^d 1/\gamma_i \text{ v.s. } d\max_{i\in[1:d]} 1/\gamma_i)$ than mirror decent methods. We also extend GQC to the minimax optimization problem proposing the generalized quasar-convexity-concavity (GQCC) condition and a decentralized variant of OMD with regularization. Finally, we show the applications of our algorithmic framework on discounted Markov Decision Processes problem and Markov games, which bring new insights on the landscape analysis of reinforcement learning.
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As language models continue to scale, Large Language Models (LLMs) have exhibited emerging capabilities in In-Context Learning (ICL), enabling them to solve language tasks by prefixing a few in-context demonstrations (ICDs) as context. Inspired by these advancements, researchers have extended these techniques to develop Large Multimodal Models (LMMs) with ICL capabilities. However, applying ICL usually faces two major challenges: 1) using more ICDs will largely increase the inference time and 2) the performance is sensitive to the selection of ICDs. These challenges are further exacerbated in LMMs due to the integration of multiple data types and the combinational complexity of multimodal ICDs. Recently, to address these challenges, some NLP studies introduce non-learnable In-Context Vectors (ICVs) which extract useful task information from ICDs into a single vector and then insert it into the LLM to help solve the corresponding task. However, although useful in simple NLP tasks, these non-learnable methods fail to handle complex multimodal tasks like Visual Question Answering (VQA). In this study, we propose \underline{\textbf{L}}earnable \underline{\textbf{I}}n-Context \underline{\textbf{Ve}}ctor (LIVE) to distill essential task information from demonstrations, improving ICL performance in LMMs. Experiments show that LIVE can significantly reduce computational costs while enhancing accuracy in VQA tasks compared to traditional ICL and other non-learnable ICV methods.
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Recent work demonstrates that, post-training large language models with open-domain instruction following data have achieved colossal success. Simultaneously, human Chatbot Arena has emerged as one of the most reasonable benchmarks for model evaluation and developmental guidance. However, the processes of manually curating high-quality training data and utilizing online human evaluation platforms are both expensive and limited. To mitigate the manual and temporal costs associated with post-training, this paper introduces a Simulated Chatbot Arena named WizardArena, which is fully based on and powered by open-source LLMs. For evaluation scenario, WizardArena can efficiently predict accurate performance rankings among different models based on offline test set. For training scenario, we simulate arena battles among various state-of-the-art models on a large scale of instruction data, subsequently leveraging the battle results to constantly enhance target model in both the supervised fine-tuning and reinforcement learning . Experimental results demonstrate that our WizardArena aligns closely with the online human arena rankings, and our models trained on offline extensive battle data exhibit significant performance improvements during SFT, DPO, and PPO stages.
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Despite the recent observation that large language models (LLMs) can store substantial factual knowledge, there is a limited understanding of the mechanisms of how they acquire factual knowledge through pretraining. This work addresses this gap by studying how LLMs acquire factual knowledge during pretraining. The findings reveal several important insights into the dynamics of factual knowledge acquisition during pretraining. First, counterintuitively, we observe that pretraining on more data shows no significant improvement in the model's capability to acquire and maintain factual knowledge. Next, LLMs undergo forgetting of memorization and generalization of factual knowledge, and LLMs trained with duplicated training data exhibit faster forgetting. Third, training LLMs with larger batch sizes can enhance the models' robustness to forgetting. Overall, our observations suggest that factual knowledge acquisition in LLM pretraining occurs by progressively increasing the probability of factual knowledge presented in the pretraining data at each step. However, this increase is diluted by subsequent forgetting. Based on this interpretation, we demonstrate that we can provide plausible explanations on recently observed behaviors of LLMs, such as the poor performance of LLMs on long-tail knowledge and the benefits of deduplicating the pretraining corpus.
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Machine learning (ML) has achieved remarkable success in prediction tasks. In many real-world scenarios, rather than solely predicting an outcome using an ML model, the crucial concern is how to make decisions to prevent the occurrence of undesired outcomes, known as the *avoiding undesired future (AUF)* problem. To this end, a new framework called *rehearsal learning* has been proposed recently, which works effectively in stationary environments by leveraging the influence relations among variables. In real tasks, however, the environments are usually non-stationary, where the influence relations may be *dynamic*, leading to the failure of AUF by the existing method. In this paper, we introduce a novel sequential methodology that effectively updates the estimates of dynamic influence relations, which are crucial for rehearsal learning to prevent undesired outcomes in non-stationary environments. Meanwhile, we take the cost of decision actions into account and provide the formulation of AUF problem with minimal action cost under non-stationarity. We prove that in linear Gaussian cases, the problem can be transformed into the well-studied convex quadratically constrained quadratic program (QCQP). In this way, we establish the first polynomial-time rehearsal-based approach for addressing the AUF problem. Theoretical and experimental results validate the effectiveness and efficiency of our method under certain circumstances.
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Communication is a fundamental aspect of human society, facilitating the exchange of information and beliefs among people. Despite the advancements in large language models (LLMs), recent agents built with these often neglect the control over discussion tactics, which are essential in communication scenarios and games. As a variant of the famous communication game Werewolf, *One Night Ultimate Werewolf* (ONUW) requires players to develop strategic discussion policies due to the potential role changes that increase the uncertainty and complexity of the game. In this work, we first present the existence of the Perfect Bayesian Equilibria (PBEs) in two scenarios of the ONUW game: one with discussion and one without. The results showcase that the discussion greatly changes players' utilities by affecting their beliefs, emphasizing the significance of discussion tactics. Based on the insights obtained from the analyses, we propose an RL-instructed language agent framework, where a discussion policy trained by reinforcement learning (RL) is employed to determine appropriate discussion tactics to adopt. Our experimental results on several ONUW game settings demonstrate the effectiveness and generalizability of our proposed framework.
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Large-scale, pre-trained neural networks have demonstrated strong capabilities in various tasks, including zero-shot image segmentation. To identify concrete objects in complex scenes, humans instinctively rely on deictic descriptions in natural language, i.e., referring to something depending on the context such as "The object that is on the desk and behind the cup.". However, deep learning approaches cannot reliably interpret such deictic representations due to their lack of reasoning capabilities in complex scenarios. To remedy this issue, we propose DeiSAM — a combination of large pre-trained neural networks with differentiable logic reasoners — for deictic promptable segmentation. Given a complex, textual segmentation description, DeiSAM leverages Large Language Models (LLMs) to generate first-order logic rules and performs differentiable forward reasoning on generated scene graphs. Subsequently, DeiSAM segments objects by matching them to the logically inferred image regions. As part of our evaluation, we propose the Deictic Visual Genome (DeiVG) dataset, containing paired visual input and complex, deictic textual prompts. Our empirical results demonstrate that DeiSAM is a substantial improvement over purely data-driven baselines for deictic promptable segmentation.
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Names are essential to both human cognition and vision-language models. Open-vocabulary models utilize class names as text prompts to generalize to categories unseen during training. However, the precision of these names is often overlooked in existing datasets. In this paper, we address this underexplored problem by presenting a framework for "renovating" names in open-vocabulary segmentation benchmarks (RENOVATE). Our framework features a renaming model that enhances the quality of names for each visual segment. Through experiments, we demonstrate that our renovated names help train stronger open-vocabulary models with up to 15% relative improvement and significantly enhance training efficiency with improved data quality. We also show that our renovated names improve evaluation by better measuring misclassification and enabling fine-grained model analysis. We provide our code and relabelings for several popular segmentation datasets to the research community on our project page: https://andrehuang.github.io/renovate.
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Collaborative perception is dedicated to tackling the constraints of single-agent perception, such as occlusions, based on the multiple agents' multi-view sensor inputs. However, most existing works assume an ideal condition that all agents' multi-view cameras are continuously available. In reality, cameras may be highly noisy, obscured or even failed during the collaboration. In this work, we introduce a new robust camera-insensitivity problem: how to overcome the issues caused by the failed camera perspectives, while stabilizing high collaborative performance with low calibration cost? To address above problems, we propose RCDN, a Robust Camera-insensitivity collaborative perception with a novel Dynamic feature-based 3D Neural modeling mechanism. The key intuition of RCDN is to construct collaborative neural rendering field representations to recover failed perceptual messages sent by multiple agents. To better model collaborative neural rendering field, RCDN first establishes a geometry BEV feature based time-invariant static field with other agents via fast hash grid modeling. Based on the static background field, the proposed time-varying dynamic field can model corresponding motion vector for foregrounds with appropriate positions. To validate RCDN, we create OPV2V-N, a new large-scale dataset with manual labelling under different camera failed scenarios. Extensive experiments conducted on OPV2V-N show that RCDN can be ported to other baselines and improve their robustness in extreme camera-insensitivity setting. Our code and datasets will be available soon.
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The performance of 3D object detection in large outdoor point clouds deteriorates significantly in an unseen environment due to the inter-domain gap. To address these challenges, most existing methods for domain adaptation harness self-training schemes and attempt to bridge the gap by focusing on a single factor that causes the inter-domain gap, such as objects' sizes, shapes, and foreground density variation. However, the resulting adaptations suggest that there is still a substantial inter-domain gap left to be minimized. We argue that this is due to two limitations: 1) Biased pseudo-label collection from self-training. 2) Multiple factors jointly contributing to how the object is perceived in the unseen target domain. In this work, we propose a grouping-exploration strategy framework, Group Explorer Domain Adaptation ($\textbf{GroupEXP-DA}$), to addresses those two issues. Specifically, our grouping divides the available label sets into multiple clusters and ensures all of them have equal learning attention with the group-equivariant spatial feature, avoiding dominant types of objects causing imbalance problems. Moreover, grouping learns to divide objects by considering inherent factors in a data-driven manner, without considering each factor separately as existing works. On top of the group-equivariant spatial feature that selectively detects objects similar to the input group, we additionally introduce an explorative group update strategy that reduces the false negative detection in the target domain, further reducing the inter-domain gap. During inference, only the learned group features are necessary for making the group-equivariant spatial feature, placing our method as a simple add-on that can be applicable to most existing detectors. We show how each module contributes to substantially bridging the inter-domain gaps compared to existing works across large urban outdoor datasets such as NuScenes, Waymo, and KITTI.
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Deep learning-based radar detection technology is receiving increasing attention in areas such as autonomous driving, UAV surveillance, and marine monitoring. Among recent efforts, PeakConv (PKC) provides a solution that can retain the peak response characteristics of radar signals and play the characteristics of deep convolution, thereby improving the effect of radar semantic segmentation (RSS). However, due to the use of a pre-set fixed peak receptive field sampling rule, PKC still has limitations in dealing with problems such as inconsistency of target frequency domain response broadening, non-homogeneous and time-varying characteristic of noise/clutter distribution. Therefore, this paper proposes an idea of adaptive peak receptive field, and upgrades PKC to AdaPKC based on this idea. Beyond that, a novel fine-tuning technology to further boost the performance of AdaPKC-based RSS networks is presented. Through experimental verification using various real-measured radar data (including publicly available low-cost millimeter-wave radar dataset for autonomous driving and self-collected Ku-band surveillance radar dataset), we found that the performance of AdaPKC-based models surpasses other SoTA methods in RSS tasks. The code is available at https://github.com/lihua199710/AdaPKC.
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Although recent efforts have extended Neural Radiance Field (NeRF) into LiDAR point cloud synthesis, the majority of existing works exhibit a strong dependence on precomputed poses. However, point cloud registration methods struggle to achieve precise global pose estimation, whereas previous pose-free NeRFs overlook geometric consistency in global reconstruction. In light of this, we explore the geometric insights of point clouds, which provide explicit registration priors for reconstruction. Based on this, we propose Geometry guided Neural LiDAR Fields (GeoNLF), a hybrid framework performing alternately global neural reconstruction and pure geometric pose optimization. Furthermore, NeRFs tend to overfit individual frames and easily get stuck in local minima under sparse-view inputs. To tackle this issue, we develop a selective-reweighting strategy and introduce geometric constraints for robust optimization. Extensive experiments on NuScenes and KITTI-360 datasets demonstrate the superiority of GeoNLF in both novel view synthesis and multi-view registration of low-frequency large-scale point clouds.
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With the steady growth of sensing technology and wearable devices, sensor-based human activity recognition has become essential in widespread applications, such as healthcare monitoring and fitness tracking, where accurate and real-time systems are required. To achieve real-time response, recent studies have focused on lightweight neural network models. Specifically, they designed the network architectures by restricting the number of layers shallowly or connections of each layer. However, these approaches suffer from limited accuracy because the classifier only uses the features at the last layer. In this study, we propose a cheap all-layer aggregation network, CALANet, for accuracy improvement while maintaining the efficiency of existing real-time HAR models. Specifically, CALANet allows the classifier to aggregate the features for all layers, resulting in a performance gain. In addition, this work proves that the theoretical computation cost of CALANet is equivalent to that of conventional networks. Evaluated on seven publicly available datasets, CALANet outperformed existing methods, achieving state-of-the-art performance. The source codes of the CALANet are publicly available at https://github.com/jgpark92/CALANet.
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When Large Language Models (LLMs) are compressed using techniques such as quantization, the predominant way to demonstrate the validity of such techniques is by measuring the model's accuracy on various benchmarks. If the accuracies of the baseline model and the compressed model are close, it is assumed that there was negligible degradation in quality. However, even when the accuracy of baseline and compressed model are similar, we observe the phenomenon of flips, wherein answers change from correct to incorrect and vice versa in proportion. We conduct a detailed study of metrics across multiple compression techniques, models and datasets, demonstrating that the behavior of compressed models as visible to end-users is often significantly different from the baseline model, even when accuracy is similar. We further evaluate compressed models qualitatively and quantitatively using MT-Bench and show that compressed models exhibiting high flips are worse than baseline models in this free-form generative task. Thus, we argue that accuracy and perplexity are necessary but not sufficient for evaluating compressed models, since these metrics hide large underlying changes that have not been observed by previous work. Hence, compression techniques should also be evaluated using distance metrics. We propose two such distance metrics, KL-Divergence and flips, and show that they are well correlated.
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Graph neural networks (GNNs) employing message passing for graph classification are inherently limited by the expressive power of the Weisfeiler-Leman (WL) test for graph isomorphism. Node individualization schemes, which assign unique identifiers to nodes (e.g., by adding random noise to features), are a common approach for achieving universal expressiveness. However, the ability of GNNs endowed with individualization schemes to generalize beyond the training data is still an open question. To address this question, this paper presents a theoretical analysis of the sample complexity of such GNNs from a statistical learning perspective, employing Vapnik–Chervonenkis (VC) dimension and covering number bounds. We demonstrate that node individualization schemes that are permutation-equivariant result in lower sample complexity, and design novel individualization schemes that exploit these results. As an application of this analysis, we also develop a novel architecture that can perform substructure identification (i.e., subgraph isomorphism) while having a lower VC dimension compared to competing methods. Finally, our theoretical findings are validated experimentally on both synthetic and real-world datasets.
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The Benjamini-Hochberg (BH) procedure is widely used to control the false detection rate (FDR) in multiple testing. Applications of this control abound in drug discovery, forensics, anomaly detection, and, in particular, machine learning, ranging from nonparametric outlier detection to out-of-distribution detection and one-class classification methods. Considering this control could be relied upon in critical safety/security contexts, we investigate its adversarial robustness. More precisely, we study under what conditions BH does and does not exhibit adversarial robustness, we present a class of simple and easily implementable adversarial test-perturbation algorithms, and we perform computational experiments. With our algorithms, we demonstrate that there are conditions under which BH's control can be significantly broken with relatively few (even just one) test score perturbation(s), and provide non-asymptotic guarantees on the expected adversarial-adjustment to FDR. Our technical analysis involves a combinatorial reframing of the BH procedure as a ``balls into bins'' process, and drawing a connection to generalized ballot problems to facilitate an information-theoretic approach for deriving non-asymptotic lower bounds.
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In this paper, we study the contextual multinomial logit (MNL) bandit problem in which a learning agent sequentially selects an assortment based on contextual information, and user feedback follows an MNL choice model. There has been a significant discrepancy between lower and upper regret bounds, particularly regarding the maximum assortment size $K$. Additionally, the variation in reward structures between these bounds complicates the quest for optimality. Under uniform rewards, where all items have the same expected reward, we establish a regret lower bound of $\Omega(d\sqrt{\smash[b]{T/K}})$ and propose a constant-time algorithm, OFU-MNL+, that achieves a matching upper bound of $\tilde{\mathcal{O}}(d\sqrt{\smash[b]{T/K}})$. We also provide instance-dependent minimax regret bounds under uniform rewards. Under non-uniform rewards, we prove a lower bound of $\Omega(d\sqrt{T})$ and an upper bound of $\tilde{\mathcal{O}}(d\sqrt{T})$, also achievable by OFU-MNL+. Our empirical studies support these theoretical findings. To the best of our knowledge, this is the first work in the contextual MNL bandit literature to prove minimax optimality --- for either uniform or non-uniform reward setting --- and to propose a computationally efficient algorithm that achieves this optimality up to logarithmic factors.
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Large language models (LLMs) with billions of parameters demonstrate impressive performance. However, the widely used Multi-Head Attention (MHA) in LLMs incurs substantial computational and memory costs during inference. While some efforts have optimized attention mechanisms by pruning heads or sharing parameters among heads, these methods often lead to performance degradation or necessitate substantial continued pre-training costs to restore performance. Based on the analysis of attention redundancy, we design a Decoupled-Head Attention (DHA) mechanism. DHA adaptively configures group sharing for key heads and value heads across various layers, achieving a better balance between performance and efficiency. Inspired by the observation of clustering similar heads, we propose to progressively transform the MHA checkpoint into the DHA model through linear fusion of similar head parameters step by step, retaining the parametric knowledge of the MHA checkpoint. We construct DHA models by transforming various scales of MHA checkpoints given target head budgets. Our experiments show that DHA remarkably requires a mere 0.25\% of the original model's pre-training budgets to achieve 97.6\% of performance while saving 75\% of KV cache. Compared to Group-Query Attention (GQA), DHA achieves a 12$\times$ training acceleration, a maximum of 24.85\% performance improvement under 0.2B tokens budget, and finally 2.3\% overall performance improvement.
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Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of any successful real-world application. At the same time, the field of dynamical systems benefited from deep learning and scaled to countless applications but does not allow parameter identification. In this paper, we draw a clear connection between the two and their key assumptions, allowing us to apply identifiable methods developed in causal representation learning to dynamical systems. At the same time, we can leverage scalable differentiable solvers developed for differential equations to build models that are both identifiable and practical. Overall, we learn explicitly controllable models that isolate the trajectory-specific parameters for further downstream tasks such as out-of-distribution classification or treatment effect estimation. We experiment with a wind simulator with partially known factors of variation. We also apply the resulting model to real-world climate data and successfully answer downstream causal questions in line with existing literature on climate change.
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In climate science and meteorology, high-resolution local precipitation (rain and snowfall) predictions are limited by the computational costs of simulation-based methods. Statistical downscaling, or super-resolution, is a common workaround where a low-resolution prediction is improved using statistical approaches. Unlike traditional computer vision tasks, weather and climate applications require capturing the accurate conditional distribution of high-resolution given low-resolution patterns to assure reliable ensemble averages and unbiased estimates of extreme events, such as heavy rain. This work extends recent video diffusion models to precipitation super-resolution, employing a deterministic downscaler followed by a temporally-conditioned diffusion model to capture noise characteristics and high-frequency patterns. We test our approach on FV3GFS output, an established large-scale global atmosphere model, and compare it against six state-of-the-art baselines. Our analysis, capturing CRPS, MSE, precipitation distributions, and qualitative aspects using California and the Himalayas as examples, establishes our method as a new standard for data-driven precipitation downscaling.
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The learnware paradigm aims to help users leverage numerous existing high-performing models instead of starting from scratch, where a learnware consists of a well-trained model and the specification describing its capability. Numerous learnwares are accommodated by a learnware dock system. When users solve tasks with the system, models that fully match the task feature space are often rare or even unavailable. However, models with heterogeneous feature space can still be helpful. This paper finds that label information, particularly model outputs, is helpful yet previously less exploited in the accommodation of heterogeneous learnwares. We extend the specification to better leverage model pseudo-labels and subsequently enrich the unified embedding space for better specification evolvement. With label information, the learnware identification can also be improved by additionally comparing conditional distributions. Experiments demonstrate that, even without a model explicitly tailored to user tasks, the system can effectively handle tasks by leveraging models from diverse feature spaces.
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In this work we study the problem of actively learning binary classifiers from a given concept class, i.e., learning by utilizing unlabeled data and submitting targeted queries about their labels to a domain expert. We evaluate the quality of our solutions by considering the learning curves they induce, i.e., the rate of decrease of the misclassification probability as the number of label queries increases. The majority of the literature on active learning has focused on obtaining uniform guarantees on the error rate which are only able to explain the upper envelope of the learning curves over families of different data-generating distributions. We diverge from this line of work and we focus on the distribution-dependent framework of universal learning whose goal is to obtain guarantees that hold for any fixed distribution, but do not apply uniformly over all the distributions. We provide a complete characterization of the optimal learning rates that are achievable by algorithms that have to specify the number of unlabeled examples they use ahead of their execution. Moreover, we identify combinatorial complexity measures that give rise to each case of our tetrachotomic characterization. This resolves an open question that was posed by Balcan et al. (2010). As a byproduct of our main result, we develop an active learning algorithm for partial concept classes that achieves exponential learning rates in the uniform setting.
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In recent years, Wasserstein Distributionally Robust Optimization (DRO) has garnered substantial interest for its efficacy in data-driven decision-making under distributional uncertainty. However, limited research has explored the application of DRO to address individual fairness concerns, particularly when considering causal structures and discrete sensitive attributes in learning problems. To address this gap, we first formulate the DRO problem from the perspectives of causality and individual fairness. We then present the DRO dual formulation as an efficient tool to convert the main problem into a more tractable and computationally efficient form. Next, we characterize the closed form of the approximate worst-case loss quantity as a regularizer, eliminating the max-step in the Min-Max DRO problem. We further estimate the regularizer in more general cases and explore the relationship between DRO and classical robust optimization. Finally, by removing the assumption of a known structural causal model, we provide finite sample error bounds when designing DRO with empirical distributions and estimated causal structures to ensure efficiency and robust learning.
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As Large Language Models (LLMs) become more capable of handling increasingly complex tasks, the evaluation set must keep pace with these advancements to ensure it remains sufficiently discriminative. Item Discrimination (ID) theory, which is widely used in educational assessment, measures the ability of individual test items to differentiate between high and low performers. Inspired by this theory, we propose an ID-induced prompt synthesis framework for evaluating LLMs so that the evaluation set continually updates and refines according to model abilities. Our data synthesis framework prioritizes both breadth and specificity. It can generate prompts that comprehensively evaluate the capabilities of LLMs while revealing meaningful performance differences between models, allowing for effective discrimination of their relative strengths and weaknesses across various tasks and domains. To produce high-quality data, we incorporate a self-correct mechanism into our generalization framework and develop two models to predict prompt discrimination and difficulty score to facilitate our data synthesis framework, contributing valuable tools to evaluation data synthesis research. We apply our generated data to evaluate five SOTA models. Our data achieves an average score of 51.92, accompanied by a variance of 10.06. By contrast, previous works (i.e., SELF-INSTRUCT and WizardLM) obtain an average score exceeding 67, with a variance below 3.2. The results demonstrate that the data generated by our framework is more challenging and discriminative compared to previous works. We will release a dataset of over 3,000 carefully crafted prompts to facilitate evaluation research of LLMs.
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Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block, and show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7\% to 55\% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our methods demonstrate a 16\% throughput improvement over the 1F1B baseline for large language models. The implementation is open-sourced at https://github.com/sail-sg/zero-bubble-pipeline-parallelism.
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The Stackelberg prediction game (SPG) is a popular model for characterizing strategic interactions between a learner and an adversarial data provider. Although optimization problems in SPGs are often NP-hard, a notable special case involving the least squares loss (SPG-LS) has gained significant research attention recently, (Bishop et al. 2020; Wang et al. 2021; Wang et al. 2022). The latest state-of-the-art method for solving the SPG-LS problem is the spherically constrained least squares reformulation (SCLS) method proposed in the work of Wang et al. (2022). However, the lack of theoretical analysis on the error of the SCLS method limits its large-scale applications. In this paper, we investigate the estimation error between the learner obtained by the SCLS method and the actual learner. Specifically, we reframe the estimation error of the SCLS method as a Primary Optimization ($\textbf{PO}$) problem and utilize the Convex Gaussian min-max theorem (CGMT) to transform the $\textbf{PO}$ problem into an Auxiliary Optimization ($\textbf{AO}$) problem. Subsequently, we provide a theoretical error analysis for the SCLS method based on this simplified $\textbf{AO}$ problem. This analysis not only strengthens the theoretical framework of the SCLS method but also confirms the reliability of the learner produced by it. We further conduct experiments to validate our theorems, and the results are in excellent agreement with our theoretical predictions.
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Event cameras harness advantages such as low latency, high temporal resolution, and high dynamic range (HDR), compared to standard cameras. Due to the distinct imaging paradigm shift, a dominant line of research focuses on event-to-video (E2V) reconstruction to bridge event-based and standard computer vision. However, this task remains challenging due to its inherently ill-posed nature: event cameras only detect the edge and motion information locally. Consequently, the reconstructed videos are often plagued by artifacts and regional blur, primarily caused by the ambiguous semantics of event data. In this paper, we find language naturally conveys abundant semantic information, rendering it stunningly superior in ensuring semantic consistency for E2V reconstruction. Accordingly, we propose a novel framework, called LaSe-E2V, that can achieve semantic-aware high-quality E2V reconstruction from a language-guided perspective, buttressed by the text-conditional diffusion models. However, due to diffusion models' inherent diversity and randomness, it is hardly possible to directly apply them to achieve spatial and temporal consistency for E2V reconstruction. Thus, we first propose an Event-guided Spatiotemporal Attention (ESA) module to condition the event data to the denoising pipeline effectively. We then introduce an event-aware mask loss to ensure temporal coherence and a noise initialization strategy to enhance spatial consistency. Given the absence of event-text-video paired data, we aggregate existing E2V datasets and generate textual descriptions using the tagging models for training and evaluation. Extensive experiments on three datasets covering diverse challenging scenarios (e.g., fast motion, low light) demonstrate the superiority of our method. Demo videos for the results are attached to the project page.
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We study a setting where agents use no-regret learning algorithms to participate in repeated auctions. Recently, Kolumbus and Nisan [2022a] showed, rather surprisingly, that when bidders participate in second-price auctions using no-regret bidding algorithms, no matter how large the number of interactions $T$ is, the runner-up bidder may not converge to bidding truthfully. Our first result shows that this holds forall deterministictruthful auctions. We also show that the ratio of the learning rates of different bidders can qualitatively affect the convergence of the bidders. Next, we consider the problem of revenue maximization in this environment. In the setting with fully rational bidders, the seminal result of Myerson [1981] showed that revenue can be maximized by using a second-price auction with reserves. We show that, in stark contrast, in our setting with learning bidders, randomized auctions can have strictly better revenue guarantees than second-price auctions with reserves, when $T$ is large enough. To do this, we provide a black-box transformation from any truthful auction $A$ to an auction $A'$ such that: i) all mean-based no-regret learners that participate in $A'$ converge to bidding truthfully, ii) the distance between the allocation rule and the payment rule between $A, A'$ is negligible. Finally, we study revenue maximization in the non-asymptotic regime. We define a notion of auctioneer regret that compares the revenue generated to the revenue of a second price auction with truthful bids. When the auctioneer has to use the same auction throughout the interaction, we show an (almost) tight regret bound of $\tilde{\Theta}(T^{3/4})$. Then, we consider the case where the auctioneer can use different auctions throughout the interaction, but in a way that is oblivious to the bids. For this setting, we show an (almost) tight bound of $\tilde{\Theta}(\sqrt{T})$.
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Digital watermarking techniques are crucial for copyright protection and source identification of images, especially in the era of generative AI models. However, many existing watermarking methods, particularly content-agnostic approaches that embed fixed patterns regardless of image content, are vulnerable to steganalysis attacks that can extract and remove the watermark with minimal perceptual distortion. In this work, we categorise watermarking algorithms into content-adaptive and content-agnostic ones, and demonstrate how averaging a collection of watermarked images could reveal the underlying watermark pattern. We then leverage this extracted pattern for effective watermark removal under both greybox and blackbox settings, even when the collection of images contains multiple watermark patterns. For some algorithms like Tree-Ring watermarks, the extracted pattern can also forge convincing watermarks on clean images. Our quantitative and qualitative evaluations across twelve watermarking methods highlight the threat posed by steganalysis to content-agnostic watermarks and the importance of designing watermarking techniques resilient to such analytical attacks. We propose security guidelines calling for using content-adaptive watermarking strategies and performing security evaluation against steganalysis. We also suggest multi-key assignments as potential mitigations against steganalysis vulnerabilities. Github page: \url{https://github.com/showlab/watermark-steganalysis}.
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We investigate the convergence rates and data sample sizes required for training a machine learning model using a stochastic gradient descent (SGD) algorithm, where data points are sampled based on either their loss value or uncertainty value. These training methods are particularly relevant for active learning and data subset selection problems. For SGD with a constant step size update, we present convergence results for linear classifiers and linearly separable datasets using squared hinge loss and similar training loss functions. Additionally, we extend our analysis to more general classifiers and datasets, considering a wide range of loss-based sampling strategies and smooth convex training loss functions. We propose a novel algorithm called Adaptive-Weight Sampling (AWS) that utilizes SGD with an adaptive step size that achieves stochastic Polyak's step size in expectation. We establish convergence rate results for AWS for smooth convex training loss functions. Our numerical experiments demonstrate the efficiency of AWS on various datasets by using either exact or estimated loss values.
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Deep neural networks face persistent challenges in defending against backdoor attacks, leading to an ongoing battle between attacks and defenses. While existing backdoor defense strategies have shown promising performance on reducing attack success rates, can we confidently claim that the backdoor threat has truly been eliminated from the model? To address it, we re-investigate the characteristics of the backdoored models after defense (denoted as defense models). Surprisingly, we find that the original backdoors still exist in defense models derived from existing post-training defense strategies, and the backdoor existence is measured by a novel metric called backdoor existence coefficient. It implies that the backdoors just lie dormant rather than being eliminated. To further verify this finding, we empirically show that these dormant backdoors can be easily re-activated during inference stage, by manipulating the original trigger with well-designed tiny perturbation using universal adversarial attack. More practically, we extend our backdoor re-activation to black-box scenario, where the defense model can only be queried by the adversary during inference stage, and develop two effective methods, i.e., query-based and transfer-based backdoor re-activation attacks. The effectiveness of the proposed methods are verified on both image classification and multimodal contrastive learning (i.e., CLIP) tasks. In conclusion, this work uncovers a critical vulnerability that has never been explored in existing defense strategies, emphasizing the urgency of designing more robust and advanced backdoor defense mechanisms in the future.
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The era of proliferation of large language and image generation models begs the question of what happens if models are trained on the synthesized outputs of other models. The phenomenon of "model collapse" refers to the situation whereby as a model is trained recursively on data generated from previous generations of itself over time, its performance degrades until the model eventually becomes completely useless, i.e. the model collapses. In this work, we investigate this phenomenon within the context of high-dimensional regression with Gaussian data, considering both low- and high-dimensional asymptotics. We derive analytical formulas that quantitatively describe this phenomenon in both under-parameterized and over-parameterized regimes. We show how test error increases linearly in the number of model iterations in terms of all problem hyperparameters (covariance spectrum, regularization, label noise level, dataset size) and further isolate how model collapse affects both bias and variance terms in our setup. We show that even in the noise-free case, catastrophic (exponentially fast) model-collapse can happen in the over-parametrized regime. In the special case of polynomial decaying spectral and source conditions, we obtain modified scaling laws which exhibit new crossover phenomena from fast to slow rates. We also propose a simple strategy based on adaptive regularization to mitigate model collapse. Our theoretical results are validated with experiments.
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Drag-based image editing using generative models provides precise control over image contents, enabling users to manipulate anything in an image with a few clicks. However, prevailing methods typically adopt $n$-step iterations for latent semantic optimization to achieve drag-based image editing, which is time-consuming and limits practical applications. In this paper, we introduce a novel one-step drag-based image editing method, i.e., FastDrag, to accelerate the editing process. Central to our approach is a latent warpage function (LWF), which simulates the behavior of a stretched material to adjust the location of individual pixels within the latent space. This innovation achieves one-step latent semantic optimization and hence significantly promotes editing speeds. Meanwhile, null regions emerging after applying LWF are addressed by our proposed bilateral nearest neighbor interpolation (BNNI) strategy. This strategy interpolates these regions using similar features from neighboring areas, thus enhancing semantic integrity. Additionally, a consistency-preserving strategy is introduced to maintain the consistency between the edited and original images by adopting semantic information from the original image, saved as key and value pairs in self-attention module during diffusion inversion, to guide the diffusion sampling. Our FastDrag is validated on the DragBench dataset, demonstrating substantial improvements in processing time over existing methods, while achieving enhanced editing performance.
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Bilevel optimization deals with nested problems in which *leader* takes the first decision to minimize their objective function while accounting for a *follower*'s best-response reaction. Constrained bilevel problems with integer variables are particularly notorious for their hardness. While exact solvers have been proposed for mixed-integer *linear* bilevel optimization, they tend to scale poorly with problem size and are hard to generalize to the non-linear case. On the other hand, problem-specific algorithms (exact and heuristic) are limited in scope. Under a data-driven setting in which similar instances of a bilevel problem are solved routinely, our proposed framework, Neur2BiLO, embeds a neural network approximation of the leader's or follower's value function, trained via supervised regression, into an easy-to-solve mixed-integer program. Neur2BiLO serves as a heuristic that produces high-quality solutions extremely fast for four applications with linear and non-linear objectives and pure and mixed-integer variables.
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We introduce a new PAC-Bayes oracle bound for unbounded losses that extends Cramér-Chernoff bounds to the PAC-Bayesian setting. The proof technique relies on controlling the tails of certain random variables involving the Cramér transform of the loss. Our approach naturally leverages properties of Cramér-Chernoff bounds, such as exact optimization of the free parameter in many PAC-Bayes bounds. We highlight several applications of the main theorem. Firstly, we show that our bound recovers and generalizes previous results. Additionally, our approach allows working with richer assumptions that result in more informative and potentially tighter bounds. In this direction, we provide a general bound under a new *model-dependent* assumption from which we obtain bounds based on parameter norms and log-Sobolev inequalities. Notably, many of these bounds can be minimized to obtain distributions beyond the Gibbs posterior and provide novel theoretical coverage to existing regularization techniques.
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Vision Transformers (ViTs) demonstrate remarkable performance in image classification through visual-token interaction learning, particularly when equipped with local information via region attention or convolutions. Although such architectures improve the feature aggregation from different granularities, they often fail to contribute to the robustness of the networks. Neural Cellular Automata (NCA) enables the modeling of global visual-token representations through local interactions, with its training strategies and architecture design conferring strong generalization ability and robustness against noisy input. In this paper, we propose Adaptor Neural Cellular Automata (AdaNCA) for Vision Transformers that uses NCA as plug-and-play adaptors between ViT layers, thus enhancing ViT's performance and robustness against adversarial samples as well as out-of-distribution inputs. To overcome the large computational overhead of standard NCAs, we propose Dynamic Interaction for more efficient interaction learning. Using our analysis of AdaNCA placement and robustness improvement, we also develop an algorithm for identifying the most effective insertion points for AdaNCA. With less than a 3% increase in parameters, AdaNCA contributes to more than 10% absolute improvement in accuracy under adversarial attacks on the ImageNet1K benchmark. Moreover, we demonstrate with extensive evaluations across eight robustness benchmarks and four ViT architectures that AdaNCA, as a plug-and-play module, consistently improves the robustness of ViTs.
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Multimodal Large Language Models (MLLMs) have demonstrated an excellent understanding of images and 3D data. However, both modalities have shortcomings in holistically capturing the appearance and geometry of objects. Meanwhile, Neural Radiance Fields (NeRFs), which encode information within the weights of a simple Multi-Layer Perceptron (MLP), have emerged as an increasingly widespread modality that simultaneously encodes the geometry and photorealistic appearance of objects. This paper investigates the feasibility and effectiveness of ingesting NeRF into MLLM. We create LLaNA, the first general-purpose NeRF-language assistant capable of performing new tasks such as NeRF captioning and Q&A. Notably, our method directly processes the weights of the NeRF’s MLP to extract information about the represented objects without the need to render images or materialize 3D data structures. Moreover, we build a dataset of NeRFs with text annotations for various NeRF-language tasks with no human intervention. Based on this dataset, we develop a benchmark to evaluate the NeRF understanding capability of our method. Results show that processing NeRF weights performs favourably against extracting 2D or 3D representations from NeRFs.
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Talking face generation (TFG) aims to animate a target identity's face to create realistic talking videos. Personalized TFG is a variant that emphasizes the perceptual identity similarity of the synthesized result (from the perspective of appearance and talking style). While previous works typically solve this problem by learning an individual neural radiance field (NeRF) for each identity to implicitly store its static and dynamic information, we find it inefficient and non-generalized due to the per-identity-per-training framework and the limited training data. To this end, we propose MimicTalk, the first attempt that exploits the rich knowledge from a NeRF-based person-agnostic generic model for improving the efficiency and robustness of personalized TFG. To be specific, (1) we first come up with a person-agnostic 3D TFG model as the base model and propose to adapt it into a specific identity; (2) we propose a static-dynamic-hybrid adaptation pipeline to help the model learn the personalized static appearance and facial dynamic features; (3) To generate the facial motion of the personalized talking style, we propose an in-context stylized audio-to-motion model that mimics the implicit talking style provided in the reference video without information loss by an explicit style representation. The adaptation process to an unseen identity can be performed in 15 minutes, which is 47 times faster than previous person-dependent methods. Experiments show that our MimicTalk surpasses previous baselines regarding video quality, efficiency, and expressiveness. Video samples are available at https://mimictalk.github.io .
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Knowledge editing technology has received widespread attention for low-cost updates of incorrect or outdated knowledge in large-scale language models. However, recent research has found that edited models often exhibit varying degrees of performance degradation. The reasons behind this phenomenon and potential solutions have not yet been provided. In order to investigate the reasons for the performance decline of the edited model and optimize the editing method, this work explores the underlying reasons from both data and model perspectives. Specifically, 1) from a data perspective, to clarify the impact of data on the performance of editing models, this paper first constructs a **M**ulti-**Q**uestion **D**ataset (**MQD**) to evaluate the impact of different types of editing data on model performance. The performance of the editing model is mainly affected by the diversity of editing targets and sequence length, as determined through experiments. 2) From a model perspective, this article explores the factors that affect the performance of editing models. The results indicate a strong correlation between the L1-norm of the editing model layer and the editing accuracy, and clarify that this is an important factor leading to the bottleneck of editing performance. Finally, in order to improve the performance of the editing model, this paper further proposes a **D**ump **for** **S**equence (**D4S**) method, which successfully overcomes the previous editing bottleneck by reducing the L1-norm of the editing layer, allowing users to perform multiple effective edits and minimizing model damage. Our code is available at https://github.com/nlpkeg/D4S.
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LiDAR point cloud semantic segmentation enables the robots to obtain fine-grained semantic information of the surrounding environment. Recently, many works project the point cloud onto the 2D image and adopt the 2D Convolutional Neural Networks (CNNs) or vision transformer for LiDAR point cloud semantic segmentation. However, since more than one point can be projected onto the same 2D position but only one point can be preserved, the previous 2D projection-based segmentation methods suffer from inevitable quantized information loss, which results in incomplete geometric structure, especially for small objects. To avoid quantized information loss, in this paper, we propose a novel spherical frustum structure, which preserves all points projected onto the same 2D position. Additionally, a hash-based representation is proposed for memory-efficient spherical frustum storage. Based on the spherical frustum structure, the Spherical Frustum sparse Convolution (SFC) and Frustum Farthest Point Sampling (F2PS) are proposed to convolve and sample the points stored in spherical frustums respectively. Finally, we present the Spherical Frustum sparse Convolution Network (SFCNet) to adopt 2D CNNs for LiDAR point cloud semantic segmentation without quantized information loss. Extensive experiments on the SemanticKITTI and nuScenes datasets demonstrate that our SFCNet outperforms previous 2D projection-based semantic segmentation methods based on conventional spherical projection and shows better performance on small object segmentation by preserving complete geometric structure. Codes will be available at https://github.com/IRMVLab/SFCNet.
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The advent of large language models (LLMs) has revolutionized the field of natural language processing, yet they might be attacked to produce harmful content. Despite efforts to ethically align LLMs, these are often fragile and can be circumvented by jailbreaking attacks through optimized or manual adversarial prompts. To address this, we introduce the Information Bottleneck Protector (IBProtector), a defense mechanism grounded in the information bottleneck principle, and we modify the objective to avoid trivial solutions. The IBProtector selectively compresses and perturbs prompts, facilitated by a lightweight and trainable extractor, preserving only essential information for the target LLMs to respond with the expected answer. Moreover, we further consider a situation where the gradient is not visible to be compatible with any LLM. Our empirical evaluations show that IBProtector outperforms current defense methods in mitigating jailbreak attempts, without overly affecting response quality or inference speed. Its effectiveness and adaptability across various attack methods and target LLMs underscore the potential of IBProtector as a novel, transferable defense that bolsters the security of LLMs without requiring modifications to the underlying models.
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What computational structure are we building into large language models when we train them on next-token prediction? Here, we present evidence that this structure is given by the meta-dynamics of belief updating over hidden states of the data- generating process. Leveraging the theory of optimal prediction, we anticipate and then find that belief states are linearly represented in the residual stream of transformers, even in cases where the predicted belief state geometry has highly nontrivial fractal structure. We investigate cases where the belief state geometry is represented in the final residual stream or distributed across the residual streams of multiple layers, providing a framework to explain these observations. Furthermore we demonstrate that the inferred belief states contain information about the entire future, beyond the local next-token prediction that the transformers are explicitly trained on. Our work provides a general framework connecting the structure of training data to the geometric structure of activations inside transformers.
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Recent work developed convolutional deep kernel machines, achieving 92.7% test accuracy on CIFAR-10 using a ResNet-inspired architecture, which is SOTA for kernel methods. However, this still lags behind neural networks, which easily achieve over 94% test accuracy with similar architectures. In this work we introduce several modifications to improve the convolutional deep kernel machine’s generalisation, including stochastic kernel regularisation, which adds noise to the learned Gram matrices during training. The resulting model achieves 94.5% test accuracy on CIFAR-10. This finding has important theoretical and practical implications, as it demonstrates that the ability to perform well on complex tasks like image classification is not unique to neural networks. Instead, other approaches including deep kernel methods can achieve excellent performance on such tasks, as long as they have the capacity to learn representations from data.
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The trade-off between cost and performance has been a longstanding and critical issue for deep neural networks. One key factor affecting the computational cost is the width of each layer. However, in practice, the width of layers in a neural network is mostly empirically determined. In this paper, we show that a pattern regarding the variance of weight norm corresponding to different channels can indicate whether the layer is sufficiently wide and may help us better allocate computational resources across the layers. Starting from a simple intuition that channels with larger weights would have larger gradients and the difference in weight norm enlarges between channels with similar weight, we empirically validate that wide and narrow layers show two different patterns with experiments across different data modalities and network architectures. Based on the two different patterns, we identify three stages during training and explain each stage with corresponding evidence. We further propose to adjust the width based on the identified pattern and show that conventional layer width settings for CNNs could be adjusted to reduce the number of parameters while boosting the performance.
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Unsupervised learning (UL)-based solvers for combinatorial optimization (CO) train a neural network that generates a soft solution by directly optimizing the CO objective using a continuous relaxation strategy. These solvers offer several advantages over traditional methods and other learning-based methods, particularly for large-scale CO problems. However, UL-based solvers face two practical issues: (I) an optimization issue, where UL-based solvers are easily trapped at local optima, and (II) a rounding issue, where UL-based solvers require artificial post-learning rounding from the continuous space back to the original discrete space, undermining the robustness of the results. This study proposes a Continuous Relaxation Annealing (CRA) strategy, an effective rounding-free learning method for UL-based solvers. CRA introduces a penalty term that dynamically shifts from prioritizing continuous solutions, effectively smoothing the non-convexity of the objective function, to enforcing discreteness, eliminating artificial rounding. Experimental results demonstrate that CRA significantly enhances the performance of UL-based solvers, outperforming existing UL-based solvers and greedy algorithms in complex CO problems. Additionally, CRA effectively eliminates artificial rounding and accelerates the learning process.
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Transformer-based large language models (LLMs) have successfully handled various tasks. As one fundamental module in Transformers, position encoding encodes the positional information of tokens in a sequence. Specifically, rotary position embedding (RoPE), one of the most widely used techniques, encodes the positional information by dividing the query or key value with $d$ elements into $d/2$ pairs and rotating the 2d vectors corresponding to each pair of elements. Therefore, the direction of each pair and the position-related rotation jointly determine the attention score. In this paper, we show that the direction of the 2d pair is largely affected by the angle between the corresponding weight vector pair. We theoretically show that non-orthogonal weight vector pairs lead to great attention on tokens at a certain relative position and are less sensitive to the input which may correspond to basic syntactic information. Meanwhile, the orthogonal weight vector pairs are more flexible regarding the relative position, which may correspond to high-level syntactic information. Empirical evidence supports the hypothesis that shallow layers of LLMs focus more on local syntax and deep layers focus more on high-level semantics. Furthermore, we show that LLMs fine-tuning mainly changes the pairs of weight vectors that are nearly orthogonal, i.e., the weight corresponding to high-level semantics, which enables the reduction of the number of trainable parameters during fine-tuning without sacrificing performance. We propose a method namely Angle-based Weight Selection (AWS) to reduce the fine-tuning overhead and verify the effectiveness of the proposed method on widely used Alpaca fine-tuned Llama-2.
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Global convolutions have shown increasing promise as powerful general-purpose sequence models. However, training long convolutions is challenging, and kernel parameterizations must be able to learn long-range dependencies without overfitting. This work introduces reparameterized multi-resolution convolutions ($\texttt{MRConv}$), a novel approach to parameterizing global convolutional kernels for long-sequence modeling. By leveraging multi-resolution convolutions, incorporating structural reparameterization and introducing learnable kernel decay, $\texttt{MRConv}$ learns expressive long-range kernels that perform well across various data modalities. Our experiments demonstrate state-of-the-art performance on the Long Range Arena, Sequential CIFAR, and Speech Commands tasks among convolution models and linear-time transformers. Moreover, we report improved performance on ImageNet classification by replacing 2D convolutions with 1D $\texttt{MRConv}$ layers.
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Instruction following is crucial in contemporary LLM. However, when extended to multimodal setting, it often suffers from misalignment between specific textual instruction and targeted local region of an image. To achieve more accurate and nuanced multimodal instruction following, we introduce Instruction-guided Visual Masking (IVM), a new versatile visual grounding model that is compatible with diverse multimodal models, such as LMM and robot model. By constructing visual masks for instruction-irrelevant regions, IVM-enhanced multimodal models can effectively focus on task-relevant image regions to better align with complex instructions. Specifically, we design a visual masking data generation pipeline and create an IVM-Mix-1M dataset with 1 million image-instruction pairs. We further introduce a new learning technique, Discriminator Weighted Supervised Learning (DWSL) for preferential IVM training that prioritizes high-quality data samples. Experimental results on generic multimodal tasks such as VQA and embodied robotic control demonstrate the versatility of IVM, which as a plug-and-play tool, significantly boosts the performance of diverse multimodal models, yielding new state-of-the-art results across challenging multimodal benchmarks. Code, model and data are available at https://github.com/2toinf/IVM.
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Current methods for large language model alignment typically use scalar human preference labels. However, this convention tends to oversimplify the multi-dimensional and heterogeneous nature of human preferences, leading to reduced expressivity and even misalignment. This paper presents Panacea, an innovative approach that reframes alignment as a multi-dimensional preference optimization problem. Panacea trains a single model capable of adapting online and Pareto-optimally to diverse sets of preferences without the need for further tuning. A major challenge here is using a low-dimensional preference vector to guide the model's behavior, despite it being governed by an overwhelmingly large number of parameters. To address this, Panacea is designed to use singular value decomposition (SVD)-based low-rank adaptation, which allows the preference vector to be simply injected online as singular values. Theoretically, we prove that Panacea recovers the entire Pareto front with common loss aggregation methods under mild conditions. Moreover, our experiments demonstrate, for the first time, the feasibility of aligning a single LLM to represent an exponentially vast spectrum of human preferences through various optimization methods. Our work marks a step forward in effectively and efficiently aligning models to diverse and intricate human preferences in a controllable and Pareto-optimal manner.
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Given the ubiquitous presence of time series data across various domains, precise forecasting of time series holds significant importance and finds widespread real-world applications such as energy, weather, healthcare, etc. While numerous forecasters have been proposed using different network architectures, the Transformer-based models have state-of-the-art performance in time series forecasting. However, forecasters based on Transformers are still suffering from vulnerability to high-frequency signals, efficiency in computation, and bottleneck in full-spectrum utilization, which essentially are the cornerstones for accurately predicting time series with thousands of points. In this paper, we explore a novel perspective of enlightening signal processing for deep time series forecasting. Inspired by the filtering process, we introduce one simple yet effective network, namely FilterNet, built upon our proposed learnable frequency filters to extract key informative temporal patterns by selectively passing or attenuating certain components of time series signals. Concretely, we propose two kinds of learnable filters in the FilterNet: (i) Plain shaping filter, that adopts a universal frequency kernel for signal filtering and temporal modeling; (ii) Contextual shaping filter, that utilizes filtered frequencies examined in terms of its compatibility with input signals for dependency learning. Equipped with the two filters, FilterNet can approximately surrogate the linear and attention mappings widely adopted in time series literature, while enjoying superb abilities in handling high-frequency noises and utilizing the whole frequency spectrum that is beneficial for forecasting. Finally, we conduct extensive experiments on eight time series forecasting benchmarks, and experimental results have demonstrated our superior performance in terms of both effectiveness and efficiency compared with state-of-the-art methods. Our code is available at$^1$.
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Recent advancements in solving Bayesian inverse problems have spotlighted denoising diffusion models (DDMs) as effective priors. Although these have great potential, DDM priors yield complex posterior distributions that are challenging to sample from. Existing approaches to posterior sampling in this context address this problem either by retraining model-specific components, leading to stiff and cumbersome methods, or by introducing approximations with uncontrolled errors that affect the accuracy of the produced samples. We present an innovative framework, divide-and-conquer posterior sampling, which leverages the inherent structure of DDMs to construct a sequence of intermediate posteriors that guide the produced samples to the target posterior. Our method significantly reduces the approximation error associated with current techniques without the need for retraining. We demonstrate the versatility and effectiveness of our approach for a wide range of Bayesian inverse problems. The code is available at \url{https://github.com/Badr-MOUFAD/dcps}
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With the rapidly increasing number of satellites in space and their enhanced capabilities, the amount of earth observation images collected by satellites is exceeding the transmission limits of satellite-to-ground links. Although existing learned image compression solutions achieve remarkable performance by using a sophisticated encoder to extract fruitful features as compression and using a decoder to reconstruct. It is still hard to directly deploy those complex encoders on current satellites' embedded GPUs with limited computing capability and power supply to compress images in orbit. In this paper, we propose COSMIC, a simple yet effective learned compression solution to transmit satellite images. We first design a lightweight encoder (i.e. reducing FLOPs by 2.5~5X) on satellite to achieve a high image compression ratio to save satellite-to-ground links. Then, for reconstructions on the ground, to deal with the feature extraction ability degradation due to simplifying encoders, we propose a diffusion-based model to compensate image details when decoding. Our insight is that satellite's earth observation photos are not just images but indeed multi-modal data with a nature of Text-to-Image pairing since they are collected with rich sensor data (e.g. coordinates, timestep, etc.) that can be used as the condition for diffusion generation. Extensive experiments show that COSMIC outperforms state-of-the-art baselines on both perceptual and distortion metrics.
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Performative learning addresses the increasingly pervasive situations in which algorithmic decisions may induce changes in the data distribution as a consequence of their public deployment. We propose a novel view in which these performative effects are modelled as push forward measures. This general framework encompasses existing models and enables novel performative gradient estimation methods, leading to more efficient and scalable learning strategies. For distribution shifts, unlike previous models which require full specification of the data distribution, we only assume knowledge of the shift operator that represents the performative changes. This approach can also be integrated into various change-of-variable-based models, such as VAEs or normalizing flows. Focusing on classification with a linear-in-parameters performative effect, we prove the convexity of the performative risk under a new set of assumptions. Notably, we do not limit the strength of performative effects but rather their direction, requiring only that classification becomes harder when deploying more accurate models. In this case, we also establish a connection with adversarially robust classification by reformulating the performative risk as a min-max variational problem. Finally, we illustrate our approach on synthetic and real datasets.
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In recent years, there has been significant research focusing on addressing security concerns in single-modal person re-identification (ReID) systems that are based on RGB images. However, the safety of cross-modality scenarios, which are more commonly encountered in practical applications involving images captured by infrared cameras, has not received adequate attention. The main challenge in cross-modality ReID lies in effectively dealing with visual differences between different modalities. For instance, infrared images are typically grayscale, unlike visible images that contain color information. Existing attack methods have primarily focused on the characteristics of the visible image modality, overlooking the features of other modalities and the variations in data distribution among different modalities. This oversight can potentially undermine the effectiveness of these methods in image retrieval across diverse modalities. This study represents the first exploration into the security of cross-modality ReID models and proposes a universal perturbation attack specifically designed for cross-modality ReID. This attack optimizes perturbations by leveraging gradients from diverse modality data, thereby disrupting the discriminator and reinforcing the differences between modalities. We conducted experiments on three widely used cross-modality datasets, namely RegDB, SYSU, and LLCM. The results not only demonstrate the effectiveness of our method but also provide insights for future improvements in the robustness of cross-modality ReID systems.
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In modern deep learning, it is common to warm up the learning rate $\eta$, often by a linear schedule between $\eta_{\text{init}} = 0$ and a predetermined target $\eta_{\text{trgt}}$. In this paper, we show through systematic experiments with SGD and Adam that the overwhelming benefit of warmup arises from allowing the network to tolerate larger $\eta_{\text{trgt}}$ by forcing the network to more well-conditioned areas of the loss landscape. The ability to handle larger target learning rates in turn makes hyperparameter tuning more robust while improving the final performance of the network. We uncover different regimes of operation during the warmup period, depending on whether the network training starts off in a progressive sharpening or sharpness reduction phase, which in turn depends on the initialization and parameterization. Using these insights, we show how $\eta_{\text{init}}$ can be properly chosen by utilizing the loss catapult mechanism, which saves on the number of warmup steps, in some cases completely eliminating the need for warmup. We also suggest an initialization for the variance in Adam, which provides benefits similar to warmup.
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Overparameterized stochastic differential equation (SDE) models have achieved remarkable success in various complex environments, such as PDE-constrained optimization, stochastic control and reinforcement learning, financial engineering, and neural SDEs. These models often feature system evolution coefficients that are parameterized by a high-dimensional vector $\theta \in \mathbb{R}^n$, aiming to optimize expectations of the SDE, such as a value function, through stochastic gradient ascent. Consequently, designing efficient gradient estimators for which the computational complexity scales well with $n$ is of significant interest. This paper introduces a novel unbiased stochastic gradient estimator—the generator gradient estimator—for which the computation time remains stable in $n$. In addition to establishing the validity of our methodology for general SDEs with jumps, we also perform numerical experiments that test our estimator in linear-quadratic control problems parameterized by high-dimensional neural networks. The results show a significant improvement in efficiency compared to the widely used pathwise differentiation method: Our estimator achieves near-constant computation times, increasingly outperforms its counterpart as $n$ increases, and does so without compromising estimation variance. These empirical findings highlight the potential of our proposed methodology for optimizing SDEs in contemporary applications.
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Current research in adversarial robustness of LLMs focuses on \textit{discrete} input manipulations in the natural language space, which can be directly transferred to \textit{closed-source} models. However, this approach neglects the steady progression of \textit{open-source} models. As open-source models advance in capability, ensuring their safety becomes increasingly imperative. Yet, attacks tailored to open-source LLMs that exploit full model access remain largely unexplored. We address this research gap and propose the \textit{embedding space attack}, which directly attacks the \textit{continuous} embedding representation of input tokens. We find that embedding space attacks circumvent model alignments and trigger harmful behaviors more efficiently than discrete attacks or model fine-tuning. Additionally, we demonstrate that models compromised by embedding attacks can be used to create discrete jailbreaks in natural language. Lastly, we present a novel threat model in the context of unlearning and show that embedding space attacks can extract supposedly deleted information from unlearned LLMs across multiple datasets and models. Our findings highlight embedding space attacks as an important threat model in open-source LLMs.
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Spiking neural networks (SNNs) have gained more and more interest as one of the energy-efficient alternatives of conventional artificial neural networks (ANNs). They exchange 0/1 spikes for processing information, thus most of the multiplications in networks can be replaced by additions. However, binary spike feature maps will limit the expressiveness of the SNN and result in unsatisfactory performance compared with ANNs. It is shown that a rich output feature representation, i.e., the feature vector before classifier) is beneficial to training an accurate model in ANNs for classification. We wonder if it also does for SNNs and how to improve the feature representation of the SNN. To this end, we materialize this idea in two special designed methods for SNNs. First, inspired by some ANN-SNN methods that directly copy-paste the weight parameters from trained ANN with light modification to homogeneous SNN can obtain a well-performed SNN, we use rich information of the weight parameters from the trained ANN counterpart to guide the feature representation learning of the SNN. In particular, we present the SNN's and ANN's feature representation from the same input to ANN's classifier to product SNN's and ANN's outputs respectively and then align the feature with the KL-divergence loss as in knowledge distillation methods, called L_ AF loss. It can be seen as a novel and effective knowledge distillation method specially designed for the SNN that comes from both the knowledge distillation and ANN-SNN methods. Various ablation study shows that the L_AF loss is more powerful than the vanilla knowledge distillation method. Second, we replace the last Leaky Integrate-and-Fire (LIF) activation layer as the ReLU activation layer to generate the output feature, thus a more powerful SNN with full-precision feature representation can be achieved but with only a little extra computation. Experimental results show that our method consistently outperforms the current state-of-the-art algorithms on both popular non-spiking static and neuromorphic datasets. We provide an extremely simple but effective way to train high-accuracy spiking neural networks.
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Gradient-based bilevel programming leverages unrolling differentiation (UD) or implicit function theorem (IFT) to solve hyperparameter optimization (HO) problems, and is proven effective and scalable in practice. To understand their generalization behavior, existing works establish upper bounds on the uniform stability of these algorithms, while their tightness is still unclear. To this end, this paper attempts to establish stability lower bounds for UD-based and IFT-based algorithms. A central technical challenge arises from the dependency of each outer-level update on the concurrent stage of inner optimization in bilevel programming. To address this problem, we introduce lower-bounded expansion properties to characterize the instability in update rules which can serve as general tools for lower-bound analysis. These properties guarantee the hyperparameter divergence at the outer level and the Lipschitz constant of inner output at the inner level in the context of HO. Guided by these insights, we construct a quadratic example that yields tight lower bounds for the UD-based algorithm and meaningful bounds for a representative IFT-based algorithm. Our tight result indicates that uniform stability has reached its limit in stability analysis for the UD-based algorithm.
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Electrocardiogram (ECG) signals provide essential information about the heart's condition and are widely used for diagnosing cardiovascular diseases. The morphology of a single heartbeat over the available leads is a primary biosignal for monitoring cardiac conditions. However, analyzing heartbeat morphology can be challenging due to noise and artifacts, missing leads, and a lack of annotated data. Generative models, such as denoising diffusion generative models (DDMs), have proven successful in generating complex data. We introduce $\texttt{BeatDiff}$, a light-weight DDM tailored for the morphology of multiple leads heartbeats. We then show that many important ECG downstream tasks can be formulated as conditional generation methods in a Bayesian inverse problem framework using $\texttt{BeatDiff}$ as priors. We propose $\texttt{EM-BeatDiff}$, an Expectation-Maximization algorithm, to solve this conditional generation tasks without fine-tuning. We illustrate our results with several tasks, such as removal of ECG noise and artifacts (baseline wander, electrode motion), reconstruction of a 12-lead ECG from a single lead (useful for ECG reconstruction of smartwatch experiments), and unsupervised explainable anomaly detection. Numerical experiments show that the combination of $\texttt{BeatDiff}$ and $\texttt{EM-BeatDiff}$ outperforms SOTA methods for the problems considered in this work.
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In Open-Set Domain Generalization (OSDG), the model is exposed to both new variations of data appearance (domains) and open-set conditions, where both known and novel categories are present at test time. The challenges of this task arise from the dual need to generalize across diverse domains and accurately quantify category novelty, which is critical for applications in dynamic environments. Recently, meta-learning techniques have demonstrated superior results in OSDG, effectively orchestrating the meta-train and -test tasks by employing varied random categories and predefined domain partition strategies. These approaches prioritize a well-designed training schedule over traditional methods that focus primarily on data augmentation and the enhancement of discriminative feature learning. The prevailing meta-learning models in OSDG typically utilize a predefined sequential domain scheduler to structure data partitions. However, a crucial aspect that remains inadequately explored is the influence brought by strategies of domain schedulers during training. In this paper, we observe that an adaptive domain scheduler benefits more in OSDG compared with prefixed sequential and random domain schedulers. We propose the Evidential Bi-Level Hardest Domain Scheduler (EBiL-HaDS) to achieve an adaptive domain scheduler. This method strategically sequences domains by assessing their reliabilities in utilizing a follower network, trained with confidence scores learned in an evidential manner, regularized by max rebiasing discrepancy, and optimized in a bilevel manner. We verify our approach on three OSDG benchmarks, i.e., PACS, DigitsDG, and OfficeHome. The results show that our method substantially improves OSDG performance and achieves more discriminative embeddings for both the seen and unseen categories, underscoring the advantage of a judicious domain scheduler for the generalizability to unseen domains and unseen categories. The source code is publicly available at https://github.com/KPeng9510/EBiL-HaDS.
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In the face of uncertainty, the ability to *seek information* is of fundamental importance. In many practical applications, such as medical diagnosis and troubleshooting, the information needed to solve the task is not initially given, and has to be actively sought by asking follow-up questions (for example, a doctor asking a patient for more details about their symptoms). In this work, we introduce **Uncertainty of Thoughts (UoT)**, an algorithm to augment large language models with the ability to actively seek information by asking effective questions. UoT combines: 1. An *uncertainty-aware simulation approach* which enables the model to simulate possible future scenarios and how likely they are to occur, 2. *Uncertainty-based rewards* motivated by information gain which incentivizes the model to seek information, and 3. A *reward propagation scheme* to select the optimal question to ask in a way that maximizes the expected reward. In experiments on medical diagnosis, troubleshooting and the `20 Questions' game, UoT achieves an average performance improvement of 38.1% in the rate of successful task completion across multiple LLMs compared with direct prompting, and also improves efficiency (i.e., the number of questions needed to complete the task).
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Benefiting from the powerful language expression and planning capabilities of Large Language Models (LLMs), LLM-based autonomous agents have achieved promising performance in various downstream tasks. Recently, based on the development of single-agent systems, researchers propose to construct LLM-based multi-agent systems to tackle more complicated tasks. In this paper, we propose a novel framework, named COPPER, to enhance the collaborative capabilities of LLM-based agents with the self-reflection mechanism. To improve the quality of reflections, we propose to fine-tune a shared reflector, which automatically tunes the prompts of actor models using our counterfactual PPO mechanism. On the one hand, we propose counterfactual rewards to assess the contribution of a single agent’s reflection within the system, alleviating the credit assignment problem. On the other hand, we propose to train a shared reflector, which enables the reflector to generate personalized reflections according to agent roles, while reducing the computational resource requirements and improving training stability. We conduct experiments on three datasets to evaluate the performance of our model in multi-hop question answering, mathematics, and chess scenarios. Experimental results show that COPPER possesses stronger reflection capabilities and exhibits excellent generalization performance across different actor models.
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Large Language Models (LLMs) have shown state-of-the-art performance in a variety of tasks, including arithmetic and reasoning; however, to gauge the intellectual capabilities of LLMs, causal reasoning has become a reliable proxy for validating a general understanding of the mechanics and intricacies of the world similar to humans. Previous works in natural language processing (NLP) have either focused on open-ended causal reasoning via causal commonsense reasoning (CCR) or framed a symbolic representation-based question answering for theoretically backed-up analysis via a causal inference engine. The former adds an advantage of real-world grounding but lacks theoretically backed-up analysis/validation, whereas the latter is far from real-world grounding. In this work, we bridge this gap by proposing the COLD (Causal reasOning in cLosed Daily activities) framework, which is built upon human understanding of daily real-world activities to reason about the causal nature of events. We show that the proposed framework facilitates the creation of enormous causal queries (∼ 9 million) and comes close to the mini-turing test, simulating causal reasoning to evaluate the understanding of a daily real-world task. We evaluate multiple LLMs on the created causal queries and find that causal reasoning is challenging even for activities trivial to humans. We further explore (the causal reasoning abilities of LLMs) using the backdoor criterion to determine the causal strength between events.
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In this work, we close the fundamental gap of theory and practice by providing an improved regret bound for linear ensemble sampling. We prove that with an ensemble size logarithmic in $T$, linear ensemble sampling can achieve a frequentist regret bound of $\tilde{\mathcal{O}}(d^{3/2}\sqrt{T})$, matching state-of-the-art results for randomized linear bandit algorithms, where $d$ and $T$ are the dimension of the parameter and the time horizon respectively. Our approach introduces a general regret analysis framework for linear bandit algorithms. Additionally, we reveal a significant relationship between linear ensemble sampling and Linear Perturbed-History Exploration (LinPHE), showing that LinPHE is a special case of linear ensemble sampling when the ensemble size equals $T$. This insight allows us to derive a new regret bound of $\tilde{\mathcal{O}}(d^{3/2}\sqrt{T})$ for LinPHE, independent of the number of arms. Our contributions advance the theoretical foundation of ensemble sampling, bringing its regret bounds in line with the best known bounds for other randomized exploration algorithms.
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With the advantages of low latency, low power consumption, and high parallelism, optical neural networks (ONN) offer a promising solution for time-sensitive and resource-limited artificial intelligence applications. However, the performance of the ONN model is often diminished by the gap between the ideal simulated system and the actual physical system. To bridge the gap, this work conducts extensive experiments to investigate systematic errors in the optical physical system within the context of image classification tasks. Through our investigation, two quantifiable errors—light source instability and exposure time mismatches—significantly impact the prediction performance of ONN. To address these systematic errors, a physics-constrained ONN learning framework is constructed, including a well designed loss function to mitigate the effect of light fluctuations, a CCD adjustment strategy to alleviate the effects of exposure time mismatches and a ’physics-prior based’ error compensation network to manage other systematic errors, ensuring consistent light intensity across experimental results and simulations. In our experiments, the proposed method achieved a test classification accuracy of 96.5% on the MNIST dataset, a substantial improvement over the 61.6% achieved with the original ONN. For the more challenging QuickDraw16 and Fashion MNIST datasets, experimental accuracy improved from 63.0% to 85.7% and from 56.2% to 77.5%, respectively. Moreover, the comparison results further demonstrate the effectiveness of the proposed physics-constrained ONN learning framework over state-of-the-art ONN approaches. This lays the groundwork for more robust and precise optical computing applications.
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Large language models (LLMs) have rapidly advanced and demonstrated impressive capabilities. In-Context Learning (ICL) and Parameter-Efficient Fine-Tuning (PEFT) are currently two mainstream methods for augmenting LLMs to downstream tasks. ICL typically constructs a few-shot learning scenario, either manually or by setting up a Retrieval-Augmented Generation (RAG) system, helping models quickly grasp domain knowledge or question-answering patterns without changing model parameters. However, this approach involves trade-offs, such as slower inference speed and increased space occupancy. PEFT assists the model in adapting to tasks through minimal parameter modifications, but the training process still demands high hardware requirements, even with a small number of parameters involved. To address these challenges, we propose Reference Trustable Decoding (RTD), a paradigm that allows models to quickly adapt to new tasks without fine-tuning, maintaining low inference costs. RTD constructs a reference datastore from the provided training examples and optimizes the LLM's final vocabulary distribution by flexibly selecting suitable references based on the input, resulting in more trustable responses and enabling the model to adapt to downstream tasks at a low cost. Experimental evaluations on various LLMs using different benchmarks demonstrate that RTD establishes a new paradigm for augmenting models to downstream tasks. Furthermore, our method exhibits strong orthogonality with traditional methods, allowing for concurrent usage. Our code can be found at https://github.com/ShiLuohe/ReferenceTrustableDecoding.
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The collected data in recommender systems generally suffers selection bias. Considerable works are proposed to address selection bias induced by observed user and item features, but they fail when hidden features (e.g., user age or salary) that affect both user selection mechanism and feedback exist, which is called hidden confounding. To tackle this issue, methods based on sensitivity analysis and leveraging a few randomized controlled trial (RCT) data for model calibration are proposed. However, the former relies on strong assumptions of hidden confounding strength, whereas the latter relies on the expensive RCT data, thereby limiting their applicability in real-world scenarios. In this paper, we propose to employ heterogeneous observational data to address hidden confounding, wherein some data is subject to hidden confounding while the remaining is not. We argue that such setup is more aligned with practical scenarios, especially when some users do not have complete personal information (thus assumed with hidden confounding), while others do have (thus assumed without hidden confounding). To achieve unbiased learning, we propose a novel meta-learning based debiasing method called MetaDebias. This method explicitly models oracle error imputation and hidden confounding bias, and utilizes bi-level optimization for model training. Extensive experiments on three public datasets validate our method achieves state-of-the-art performance in the presence of hidden confounding, regardless of RCT data availability.
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Perceptual learning refers to the practices through which participants learn to improve their performance in perceiving sensory stimuli. Two seemingly conflicting phenomena of specificity and transfer have been widely observed in perceptual learning. Here, we propose a dual-learning model to reconcile these two phenomena. The model consists of two learning processes. One is task-based learning, which is fast and enables the brain to adapt to a task rapidly by using existing feature representations. The other is feature-based learning, which is slow and enables the brain to improve feature representations to match the statistical change of the environment. Associated with different training paradigms, the interactions between these two learning processes induce the rich phenomena of perceptual learning. Specifically, in the training paradigm where the same stimulus condition is presented excessively, feature-based learning is triggered, which incurs specificity, while in the paradigm where the stimulus condition varies during the training, task-based learning dominates to induce the transfer effect. As the number of training sessions under the same stimulus condition increases, a transition from transfer to specificity occurs. We demonstrate that the dual-learning model can account for both the specificity and transfer phenomena observed in classical psychophysical experiments. We hope that this study gives us insight into understanding how the brain balances the accomplishment of a new task and the consumption of learning effort.
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Recently, the strong latent Diffusion Probabilistic Model (DPM) has been applied to high-quality Text-to-Image (T2I) generation (e.g., Stable Diffusion), by injecting the encoded target text prompt into the gradually denoised diffusion image generator. Despite the success of DPM in practice, the mechanism behind it remains to be explored. To fill this blank, we begin by examining the intermediate statuses during the gradual denoising generation process in DPM. The empirical observations indicate, the shape of image is reconstructed after the first few denoising steps, and then the image is filled with details (e.g., texture). The phenomenon is because the low-frequency signal (shape relevant) of the noisy image is not corrupted until the final stage in the forward process (initial stage of generation) of adding noise in DPM. Inspired by the observations, we proceed to explore the influence of each token in the text prompt during the two stages. After a series of experiments of T2I generations conditioned on a set of text prompts. We conclude that in the earlier generation stage, the image is mostly decided by the special token [\texttt{EOS}] in the text prompt, and the information in the text prompt is already conveyed in this stage. After that, the diffusion model completes the details of generated images by information from themselves. Finally, we propose to apply this observation to accelerate the process of T2I generation by properly removing text guidance, which finally accelerates the sampling up to 25\%+.
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Diffusion planning has been recognized as an effective decision-making paradigm in various domains. The capability of generating high-quality long-horizon trajectories makes it a promising research direction. However, existing diffusion planning methods suffer from low decision-making frequencies due to the expensive iterative sampling cost. To alleviate this, we introduce DiffuserLite, a super fast and lightweight diffusion planning framework, which employs a planning refinement process (PRP) to generate coarse-to-fine-grained trajectories, significantly reducing the modeling of redundant information and leading to notable increases in decision-making frequency. Our experimental results demonstrate that DiffuserLite achieves a decision-making frequency of $122.2$Hz ($112.7$x faster than predominant frameworks) and reaches state-of-the-art performance on D4RL, Robomimic, and FinRL benchmarks. In addition, DiffuserLite can also serve as a flexible plugin to increase the decision-making frequency of other diffusion planning algorithms, providing a structural design reference for future works. More details and visualizations are available at https://diffuserlite.github.io/.
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Partial observability in environments poses significant challenges that impede the formation of effective policies in reinforcement learning. Prior research has shown that borrowing the complete state information can enhance sample efficiency. This strategy, however, frequently encounters unstable learning with high variance in practical applications due to the over-reliance on complete information. This paper introduces DCRL, a Dual Critic Reinforcement Learning framework designed to adaptively harness full-state information during training to reduce variance for optimized online performance. In particular, DCRL incorporates two distinct critics: an oracle critic with access to complete state information and a standard critic functioning within the partially observable context. It innovates a synergistic strategy to meld the strengths of the oracle critic for efficiency improvement and the standard critic for variance reduction, featuring a novel mechanism for seamless transition and weighting between them. We theoretically prove that DCRL mitigates the learning variance while maintaining unbiasedness. Extensive experimental analyses across the Box2D and Box3D environments have verified DCRL's superior performance. The source code is available in the supplementary.
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Recent sequence modeling approaches using selective state space sequence models, referred to as Mamba models, have seen a surge of interest. These models allow efficient processing of long sequences in linear time and are rapidly being adopted in a wide range of applications such as language modeling, demonstrating promising performance. To foster their reliable use in real-world scenarios, it is crucial to augment their transparency. Our work bridges this critical gap by bringing explainability, particularly Layer-wise Relevance Propagation (LRP), to the Mamba architecture. Guided by the axiom of relevance conservation, we identify specific components in the Mamba architecture, which cause unfaithful explanations. To remedy this issue, we propose MambaLRP, a novel algorithm within the LRP framework, which ensures a more stable and reliable relevance propagation through these components. Our proposed method is theoretically sound and excels in achieving state-of-the-art explanation performance across a diverse range of models and datasets. Moreover, MambaLRP facilitates a deeper inspection of Mamba architectures, uncovering various biases and evaluating their significance. It also enables the analysis of previous speculations regarding the long-range capabilities of Mamba models.
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Real-world multi-agent scenarios often involve mixed motives, demanding altruistic agents capable of self-protection against potential exploitation. However, existing approaches often struggle to achieve both objectives. In this paper, based on that empathic responses are modulated by learned social relationships between agents, we propose LASE (**L**earning to balance **A**ltruism and **S**elf-interest based on **E**mpathy), a distributed multi-agent reinforcement learning algorithm that fosters altruistic cooperation through gifting while avoiding exploitation by other agents in mixed-motive games. LASE allocates a portion of its rewards to co-players as gifts, with this allocation adapting dynamically based on the social relationship --- a metric evaluating the friendliness of co-players estimated by counterfactual reasoning. In particular, social relationship measures each co-player by comparing the estimated $Q$-function of current joint action to a counterfactual baseline which marginalizes the co-player's action, with its action distribution inferred by a perspective-taking module. Comprehensive experiments are performed in spatially and temporally extended mixed-motive games, demonstrating LASE's ability to promote group collaboration without compromising fairness and its capacity to adapt policies to various types of interactive co-players.
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Gaze following and social gaze prediction are fundamental tasks providing insights into human communication behaviors, intent, and social interactions. Most previous approaches addressed these tasks separately, either by designing highly specialized social gaze models that do not generalize to other social gaze tasks or by considering social gaze inference as an ad-hoc post-processing of the gaze following task. Furthermore, the vast majority of gaze following approaches have proposed models that can handle only one person at a time and are static, therefore failing to take advantage of social interactions and temporal dynamics. In this paper, we address these limitations and introduce a novel framework to jointly predict the gaze target and social gaze label for all people in the scene. It comprises (i) a temporal, transformer-based architecture that, in addition to frame tokens, handles person-specific tokens capturing the gaze information related to each individual; (ii) a new dataset, VSGaze, built from multiple gaze following and social gaze datasets by extending and validating head detections and tracks, and unifying annotation types. We demonstrate that our model can address and benefit from training on all tasks jointly, achieving state-of-the-art results for multi-person gaze following and social gaze prediction. Our annotations and code will be made publicly available.
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With the remarkable achievements of large language models (LLMs), the demand for fine-tuning and deploying LLMs in various downstream tasks has garnered widespread interest. Parameter-efficient fine-tuning techniques represented by LoRA and model quantization techniques represented by GPTQ and AWQ are of paramount significance. However, although these techniques have been widely adopted in single-task scenarios, research is scarce in multi-task scenarios. To be specific, we find that mainstream quantization methods would prevent the base LLM from being shared among tasks, so current LLM serving systems are infeasible to integrate LLM quantization with multiple LoRA adapters to achieve memory-efficient multi-task serving. Moreover, existing LLM serving systems lack support for dynamic task addition and overlook the workload differences among tasks, leading to inefficiencies in multi-task scenarios. This work proposes LoRA-Inlaid, an efficient multi-task LLM serving system. On the one hand, LoRA-Inlaid designs a flexible and efficient multi-task quantization algorithm (MLGPTQ) that facilitates the sharing of a single quantized model for multiple LoRA adapters, which significantly reduces the memory consumption for model deployment. Meanwhile, it supports adding LoRA adapters for new tasks on the fly, without sacrificing the stability of online services. On the other hand, LoRA-Inlaid develops a novel multi-task scheduling algorithm guided by output length prediction and grouping among different tasks, which effectively shrinks the memory consumption and avoids frequent switching of LoRA adapters. Empirical results verify that LoRA-Inlaid outperforms existing state-of-the-art LLM serving systems by up to 1.58 times in terms of throughput, 1.76 times in terms of average latency, 2 times in terms of job completion time, and 10 times in terms of SLO Attainment, while maintaining the same level of model quality.
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Domain Generalization (DG) aims to enable models to generalize to unseen target domains by learning from multiple source domains. Existing DG methods primarily rely on convolutional neural networks (CNNs), which inherently learn texture biases due to their limited receptive fields, making them prone to overfitting source domains. While some works have introduced transformer-based methods (ViTs) for DG to leverage the global receptive field, these methods incur high computational costs due to the quadratic complexity of self-attention. Recently, advanced state space models (SSMs), represented by Mamba, have shown promising results in supervised learning tasks by achieving linear complexity in sequence length during training and fast RNN-like computation during inference. Inspired by this, we investigate the generalization ability of the Mamba model under domain shifts and find that input-dependent matrices within SSMs could accumulate and amplify domain-specific features, thus hindering model generalization. To address this issue, we propose a novel SSM-based architecture with saliency-based token-aware transformation (namely START), which achieves state-of-the-art (SOTA) performances and offers a competitive alternative to CNNs and ViTs. Our START can selectively perturb and suppress domain-specific features in salient tokens within the input-dependent matrices of SSMs, thus effectively reducing the discrepancy between different domains. Extensive experiments on five benchmarks demonstrate that START outperforms existing SOTA DG methods with efficient linear complexity. Our code is available at https://github.com/lingeringlight/START.
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Invisible watermarking is essential for safeguarding digital content, enabling copyright protection and content authentication. However, existing watermarking methods fall short in robustness against regeneration attacks. In this paper, we propose a novel method called FreqMark that involves unconstrained optimization of the image latent frequency space obtained after VAE encoding. Specifically, FreqMark embeds the watermark by optimizing the latent frequency space of the images and then extracts the watermark through a pre-trained image encoder. This optimization allows a flexible trade-off between image quality with watermark robustness and effectively resists regeneration attacks. Experimental results demonstrate that FreqMark offers significant advantages in image quality and robustness, permits flexible selection of the encoding bit number, and achieves a bit accuracy exceeding 90\% when encoding a 48-bit hidden message under various attack scenarios.
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Generating high-quality 3D assets from text and images has long been challenging, primarily due to the absence of scalable 3D representations capable of capturing intricate geometry distributions. In this work, we introduce Direct3D, a native 3D generative model scalable to in-the-wild input images, without requiring a multi-view diffusion model or SDS optimization. Our approach comprises two primary components: a Direct 3D Variational Auto-Encoder (D3D-VAE) and a Direct 3D Diffusion Transformer (D3D-DiT). D3D-VAE efficiently encodes high-resolution 3D shapes into a compact and continuous latent triplane space. Notably, our method directly supervises the decoded geometry using a semi-continuous surface sampling strategy, diverging from previous methods relying on rendered images as supervision signals. D3D-DiT models the distribution of encoded 3D latents and is specifically designed to fuse positional information from the three feature maps of the triplane latent, enabling a native 3D generative model scalable to large-scale 3D datasets. Additionally, we introduce an innovative image-to-3D generation pipeline incorporating semantic and pixel-level image conditions, allowing the model to produce 3D shapes consistent with the provided conditional image input. Extensive experiments demonstrate the superiority of our large-scale pre-trained Direct3D over previous image-to-3D approaches, achieving significantly better generation quality and generalization ability, thus establishing a new state-of-the-art for 3D content creation. Project page: https://www.neural4d.com/research/direct3d.
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In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model, one can either initialize $B$ to zero and $A$ to random, or vice-versa. In both cases, the product $BA$ is equal to zero at initialization, which makes finetuning starts from the pretrained model. These two initialization schemes are seemingly similar. They should in-principle yield the same performance and share the same optimal learning rate. We demonstrate that this is an *incorrect intuition* and that the first scheme (of initializing $B$ to zero and $A$ to random) on average in our experiments yields better performance compared to the other scheme. Our theoretical analysis shows that the reason behind this might be that the first initialization allows the use of larger learning rates (without causing output instability) compared to the second initialization, resulting in more efficient learning of the first scheme. We validate our results with extensive experiments on LLMs.
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Non-maximum suppression (NMS) is an indispensable post-processing step in object detection. With the continuous optimization of network models, NMS has become the ``last mile'' to enhance the efficiency of object detection. This paper systematically analyzes NMS from a graph theory perspective for the first time, revealing its intrinsic structure. Consequently, we propose two optimization methods, namely QSI-NMS and BOE-NMS. The former is a fast recursive divide-and-conquer algorithm with negligible mAP loss, and its extended version (eQSI-NMS) achieves optimal complexity of $\mathcal{O}(n\log n)$. The latter, concentrating on the locality of NMS, achieves an optimization at a constant level without an mAP loss penalty. Moreover, to facilitate rapid evaluation of NMS methods for researchers, we introduce NMS-Bench, the first benchmark designed to comprehensively assess various NMS methods. Taking the YOLOv8-N model on MS COCO 2017 as the benchmark setup, our method QSI-NMS provides $6.2\times$ speed of original NMS on the benchmark, with a $0.1\%$ decrease in mAP. The optimal eQSI-NMS, with only a $0.3\%$ mAP decrease, achieves $10.7\times$ speed. Meanwhile, BOE-NMS exhibits $5.1\times$ speed with no compromise in mAP.
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Physics-Informed Neural Networks (PINNs) are infamous for being hard to train. Recently, second-order methods based on natural gradient and Gauss-Newton methods have shown promising performance, improving the accuracy achieved by first-order methods by several orders of magnitude. While promising, the proposed methods only scale to networks with a few thousand parameters due to the high computational cost to evaluate, store, and invert the curvature matrix. We propose Kronecker-factored approximate curvature (KFAC) for PINN losses that greatly reduces the computational cost and allows scaling to much larger networks. Our approach goes beyond the popular KFAC for traditional deep learning problems as it captures contributions from a PDE's differential operator that are crucial for optimization. To establish KFAC for such losses, we use Taylor-mode automatic differentiation to describe the differential operator's computation graph as a forward network with shared weights which allows us to apply a variant of KFAC for networks with weight-sharing. Empirically, we find that our KFAC-based optimizers are competitive with expensive second-order methods on small problems, scale more favorably to higher-dimensional neural networks and PDEs, and consistently outperform first-order methods.
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Language models (LMs) are bound to their tokenizer, which maps raw text to a sequence of vocabulary items (tokens). This restricts their flexibility: for example, LMs trained primarily on English may still perform well in other natural and programming languages, but have vastly decreased efficiency due to their English-centric tokenizer. To mitigate this, we should be able to swap the original LM tokenizer with an arbitrary one, on the fly, without degrading performance. Hence, in this work we define a new problem: Zero-Shot Tokenizer Transfer (ZeTT). The challenge at the core of ZeTT is finding embeddings for the tokens in the vocabulary of the new tokenizer. Since prior heuristics for initializing embeddings often perform at chance level in a ZeTT setting, we propose a new solution: we train a hypernetwork taking a tokenizer as input and predicting the corresponding embeddings. We empirically demonstrate that the hypernetwork generalizes to new tokenizers both with encoder (e.g., XLM-R) and decoder LLMs (e.g., Mistral-7B). Our method comes close to the original models' performance in cross-lingual and coding tasks while markedly reducing the length of the tokenized sequence. We also find that the remaining gap can be quickly closed by continued training on less than 1B tokens. Finally, we show that a ZeTT hypernetwork trained for a base (L)LM can also be applied to fine-tuned variants without extra training. Overall, our results make substantial strides toward detaching LMs from their tokenizer.
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Deploying deep neural networks for risk-sensitive tasks necessitates an uncertainty estimation mechanism. This paper introduces *hierarchical selective classification*, extending selective classification to a hierarchical setting. Our approach leverages the inherent structure of class relationships, enabling models to reduce the specificity of their predictions when faced with uncertainty. In this paper, we first formalize hierarchical risk and coverage, and introduce hierarchical risk-coverage curves. Next, we develop algorithms for hierarchical selective classification (which we refer to as "inference rules"), and propose an efficient algorithm that guarantees a target accuracy constraint with high probability. Lastly, we conduct extensive empirical studies on over a thousand ImageNet classifiers, revealing that training regimes such as CLIP, pretraining on ImageNet21k and knowledge distillation boost hierarchical selective performance.
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Pedestrian pre-collision pose is one of the key factors to determine the degree of pedestrian-vehicle injury in collision. Human pose estimation algorithm is an effective method to estimate pedestrian emergency pose from accident video. However, the pose estimation model trained by the existing daily human pose datasets has poor robustness under specific poses such as pedestrian pre-collision pose, and it is difficult to obtain human pose datasets in the wild scenes, especially lacking scarce data such as pedestrian pre-collision pose in traffic scenes. In this paper, we collect pedestrian-vehicle collision pose from the dashcam perspective of dashcam and construct the first Pedestrian-Vehicle Collision Pose dataset (PVCP) in a semi-automatic way, including 40k+ accident frames and 20K+ pedestrian pre-collision pose annotation (2D, 3D, Mesh). Further, we construct a Pedestrian Pre-collision Pose Estimation Network (PPSENet) to estimate the collision pose and shape sequence of pedestrians from pedestrian-vehicle accident videos. The PPSENet first estimates the 2D pose from the image (Image to Pose, ITP) and then lifts the 2D pose to 3D mesh (Pose to Mesh, PTM). Due to the small size of the dataset, we introduce a pre-training model that learns the human pose prior on a large number of pose datasets, and use iterative regression to estimate the pre-collision pose and shape of pedestrians. Further, we classify the pre-collision pose sequence and introduce pose class loss, which achieves the best accuracy compared with the existing relevant \textit{state-of-the-art} methods. Code and data are available for research at https://github.com/wmj142326/PVCP.
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Developing meaningful and efficient representations that separate the fundamental structure of the data generation mechanism is crucial in representation learning. However, Disentangled Representation Learning has not fully shown its potential on real images, because of correlated generative factors, their resolution and limited access to ground truth labels. Specifically on the latter, we investigate the possibility of leveraging synthetic data to learn general-purpose disentangled representations applicable to real data, discussing the effect of fine-tuning and what properties of disentanglement are preserved after the transfer. We provide an extensive empirical study to address these issues. In addition, we propose a new interpretable intervention-based metric, to measure the quality of factors encoding in the representation. Our results indicate that some level of disentanglement, transferring a representation from synthetic to real data, is possible and effective.
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Despite the success of reinforcement learning from human feedback (RLHF) in aligning language models with human values, reward hacking, also termed reward overoptimization, remains a critical challenge. This issue primarily arises from reward misgeneralization, where reward models (RMs) compute reward using spurious features that are irrelevant to human preferences. In this work, we tackle this problem from an information-theoretic perspective and propose a framework for reward modeling, namely InfoRM, by introducing a variational information bottleneck objective to filter out irrelevant information. Notably, we further identify a correlation between overoptimization and outliers in the IB latent space of InfoRM, establishing it as a promising tool for detecting reward overoptimization. Inspired by this finding, we propose the Cluster Separation Index (CSI), which quantifies deviations in the IB latent space, as an indicator of reward overoptimization to facilitate the development of online mitigation strategies. Extensive experiments on a wide range of settings and RM scales (70M, 440M, 1.4B, and 7B) demonstrate the effectiveness of InfoRM. Further analyses reveal that InfoRM's overoptimization detection mechanism is not only effective but also robust across a broad range of datasets, signifying a notable advancement in the field of RLHF. The code will be released upon acceptance.
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Endoscopic video analysis can effectively assist clinicians in disease diagnosis and treatment, and has played an indispensable role in clinical medicine. Unlike regular videos, endoscopic video analysis presents unique challenges, including complex camera movements, uneven distribution of lesions, and concealment, and it typically relies on contrastive learning in self-supervised pretraining as its mainstream technique. However, representations obtained from contrastive learning enhance the discriminability of the model but often lack fine-grained information, which is suboptimal in the pixel-level prediction tasks. In this paper, we develop a Multi-view Masked Contrastive Representation Learning (M$^2$CRL) framework for endoscopic video pre-training. Specifically, we propose a multi-view mask strategy for addressing the challenges of endoscopic videos. We utilize the frame-aggregated attention guided tube mask to capture global-level spatiotemporal sensitive representation from the global views, while the random tube mask is employed to focus on local variations from the local views. Subsequently, we combine multi-view mask modeling with contrastive learning to obtain endoscopic video representations that possess fine-grained perception and holistic discriminative capabilities simultaneously. The proposed M$^2$CRL is pre-trained on 7 publicly available endoscopic video datasets and fine-tuned on 3 endoscopic video datasets for 3 downstream tasks. Notably, our M$^2$CRL significantly outperforms the current state-of-the-art self-supervised endoscopic pre-training methods, e.g., Endo-FM (3.5% F1 for classification, 7.5% Dice for segmentation, and 2.2% F1 for detection) and other self-supervised methods, e.g., VideoMAE V2 (4.6% F1 for classification, 0.4% Dice for segmentation, and 2.1% F1 for detection).
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Recent work has found that sparse autoencoders (SAEs) are an effective technique for unsupervised discovery of interpretable features in language models' (LMs) activations, by finding sparse, linear reconstructions of those activations. We introduce the Gated Sparse Autoencoder (Gated SAE), which achieves a Pareto improvement over training with prevailing methods. In SAEs, the L1 penalty used to encourage sparsity introduces many undesirable biases, such as shrinkage -- systematic underestimation of feature activations. The key insight of Gated SAEs is to separate the functionality of (a) determining which directions to use and (b) estimating the magnitudes of those directions: this enables us to apply the L1 penalty only to the former, limiting the scope of undesirable side effects. Through training SAEs on LMs of up to 7B parameters we find that, in typical hyper-parameter ranges, Gated SAEs solve shrinkage, are similarly interpretable, and require half as many firing features to achieve comparable reconstruction fidelity.
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Gradient-variation online learning aims to achieve regret guarantees that scale with variations in the gradients of online functions, which is crucial for attaining fast convergence in games and robustness in stochastic optimization, hence receiving increased attention. Existing results often require the smoothness condition by imposing a fixed bound on gradient Lipschitzness, which may be unrealistic in practice. Recent efforts in neural network optimization suggest a generalized smoothness condition, allowing smoothness to correlate with gradient norms. In this paper, we systematically study gradient-variation online learning under generalized smoothness. We extend the classic optimistic mirror descent algorithm to derive gradient-variation regret by analyzing stability over the optimization trajectory and exploiting smoothness locally. Then, we explore universal online learning, designing a single algorithm with the optimal gradient-variation regrets for convex and strongly convex functions simultaneously, without requiring prior knowledge of curvature. This algorithm adopts a two-layer structure with a meta-algorithm running over a group of base-learners. To ensure favorable guarantees, we design a new Lipschitz-adaptive meta-algorithm, capable of handling potentially unbounded gradients while ensuring a second-order bound to effectively ensemble the base-learners. Finally, we provide the applications for fast-rate convergence in games and stochastic extended adversarial optimization.
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Language-guided robotic manipulation is a challenging task that requires an embodied agent to follow abstract user instructions to accomplish various complex manipulation tasks. Previous work generally maps instructions and visual perceptions directly to low-level executable actions, neglecting the modeling of critical waypoints (e.g., key states of “close to/grab/move up” in action trajectories) in manipulation tasks. To address this issue, we propose a PImitive-driVen waypOinT-aware world model for Robotic manipulation (PIVOT-R) that focuses solely on the prediction of task-relevant waypoints. Specifically, PIVOT-R consists of a Waypoint-aware World Model (WAWM) and a lightweight action prediction module. The former performs primitive action parsing and primitive-driven waypoint prediction, while the latter focuses on decoding low-level actions. Additionally, we also design an asynchronous hierarchical executor (AHE) for PIVOT-R, which can use different execution frequencies for different modules of the model, thereby helping the model reduce computational redundancy and improve model execution efficiency. Our PIVOT-R outperforms state-of-the-art (SoTA) open-source models on the SeaWave benchmark, achieving an average relative improvement of 19.45% across four levels of instruction tasks. Moreover, compared to the synchronously executed PIVOT-R, the execution efficiency of PIVOT-R with AHE is increased by 28-fold, with only a 2.9% drop in performance. These results provide compelling evidence that our PIVOT-R can significantly improve both the performance and efficiency of robotic manipulation.
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Multi-task offline reinforcement learning aims to develop a unified policy for diverse tasks without requiring real-time interaction with the environment. Recent work explores sequence modeling, leveraging the scalability of the transformer architecture as a foundation for multi-task learning. Given the variations in task content and complexity, formulating policies becomes a challenging endeavor, requiring careful parameter sharing and adept management of conflicting gradients to extract rich cross-task knowledge from multiple tasks and transfer it to unseen tasks. In this paper, we propose the Decomposed Prompt Decision Transformer (DPDT) that adopts a two-stage paradigm to efficiently learn prompts for unseen tasks in a parameter-efficient manner. We incorporate parameters from pre-trained language models (PLMs) to initialize DPDT, thereby providing rich prior knowledge encoded in language models. During the decomposed prompt tuning phase, we learn both cross-task and task-specific prompts on training tasks to achieve prompt decomposition. In the test time adaptation phase, the cross-task prompt, serving as a good initialization, were further optimized on unseen tasks through test time adaptation, enhancing the model's performance on these tasks. Empirical evaluation on a series of Meta-RL benchmarks demonstrates the superiority of our approach. The project is available at https://github.com/ruthless-man/DPDT.
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Large language models (LLMs) have achieved significant success across various domains. However, training these LLMs typically involves substantial memory and computational costs during both forward and backward propagation. While parameter-efficient fine-tuning (PEFT) considerably reduces the training memory associated with parameters, it does not address the significant computational costs and activation memory. In this paper, we propose Dropping Backward Propagation (DropBP), a novel approach designed to reduce computational costs and activation memory while maintaining accuracy. DropBP randomly drops layers during backward propagation, which is essentially equivalent to training shallow submodules generated by undropped layers and residual connections. Additionally, DropBP calculates the sensitivity of each layer to assign an appropriate drop rate, thereby stabilizing the training process. DropBP is not only applicable to full fine-tuning but can also be orthogonally integrated with all types of PEFT by dropping layers during backward propagation. Specifically, DropBP can reduce training time by 44% with comparable accuracy to the baseline, accelerate convergence to the same perplexity by 1.5$\times$, and enable training with a sequence length 6.2$\times$ larger on a single NVIDIA-A100 GPU. Furthermore, our DropBP enabled a throughput increase of 79% on a NVIDIA A100 GPU and 117% on an Intel Gaudi2 HPU. The code is available at [https://github.com/WooSunghyeon/dropbp](https://github.com/WooSunghyeon/dropbp).
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Different camera sensors have different noise patterns, and thus an image denoising model trained on one sensor often does not generalize well to a different sensor. One plausible solution is to collect a large dataset for each sensor for training or fine-tuning, which is inevitably time-consuming. To address this cross-domain challenge, we present a novel adaptive domain learning (ADL) scheme for cross-domain RAW image denoising by utilizing existing data from different sensors (source domain) plus a small amount of data from the new sensor (target domain). The ADL training scheme automatically removes the data in the source domain that are harmful to fine-tuning a model for the target domain (some data are harmful as adding them during training lowers the performance due to domain gaps). Also, we introduce a modulation module to adopt sensor-specific information (sensor type and ISO) to understand input data for image denoising. We conduct extensive experiments on public datasets with various smartphone and DSLR cameras, which show our proposed model outperforms prior work on cross-domain image denoising, given a small amount of image data from the target domain sensor.
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Biological systems possess remarkable sound source localization (SSL) capabilities that are critical for survival in complex environments. This ability arises from the collaboration between the auditory periphery, which encodes sound as precisely timed spikes, and the auditory cortex, which performs spike-based computations. Inspired by these biological mechanisms, we propose a novel neuromorphic SSL framework that integrates spike-based neural encoding and computation. The framework employs Resonate-and-Fire (RF) neurons with a phase-locking coding (RF-PLC) method to achieve energy-efficient audio processing. The RF-PLC method leverages the resonance properties of RF neurons to efficiently convert audio signals to time-frequency representation and encode interaural time difference (ITD) cues into discriminative spike patterns. In addition, biological adaptations like frequency band selectivity and short-term memory effectively filter out many environmental noises, enhancing SSL capabilities in real-world settings. Inspired by these adaptations, we propose a spike-driven multi-auditory attention (MAA) module that significantly improves both the accuracy and robustness of the proposed SSL framework. Extensive experimentation demonstrates that our SSL framework achieves state-of-the-art accuracy in SSL tasks. Furthermore, it shows exceptional noise robustness and maintains high accuracy even at very low signal-to-noise ratios. By mimicking biological hearing, this neuromorphic approach contributes to the development of high-performance and explainable artificial intelligence systems capable of superior performance in real-world environments.
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Graph self-supervised learning, as a powerful pre-training paradigm for Graph Neural Networks (GNNs) without labels, has received considerable attention. We have witnessed the success of graph self-supervised learning on pre-training the parameters of GNNs, leading many not to doubt that whether the learned GNNs parameters are all useful. In this paper, by presenting the experimental evidence and analysis, we surprisingly discover that the graph self-supervised learning models are highly redundant at both of neuron and layer levels, e.g., even randomly removing 51.6\% of parameters, the performance of graph self-supervised learning models still retains at least 96.2\%. This discovery implies that the parameters of graph self-supervised models can be largely reduced, making simultaneously fine-tuning both graph self-supervised learning models and prediction layers more feasible. Therefore, we further design a novel graph pre-training and fine-tuning paradigm called SLImming DE-correlation Fine-tuning (SLIDE). The effectiveness of SLIDE is verified through extensive experiments on various benchmarks, and the performance can be even improved with fewer parameters of models in most cases. For example, in comparison with full fine-tuning GraphMAE on Amazon-Computers dataset, even randomly reducing 40\% of parameters, we can still achieve the improvement of 0.24\% and 0.27\% for Micro-F1 and Macro-F1 scores respectively.
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Recent advancements in Multimodal Large Language Models (MLLMs) have greatly improved their abilities in image understanding. However, these models often struggle with grasping pixel-level semantic details, e.g., the keypoints of an object. To bridge this gap, we introduce the novel challenge of Semantic Keypoint Comprehension, which aims to comprehend keypoints across different task scenarios, including keypoint semantic understanding, visual prompt-based keypoint detection, and textual prompt-based keypoint detection. Moreover, we introduce KptLLM, a unified multimodal model that utilizes an identify-then-detect strategy to effectively address these challenges. KptLLM underscores the initial discernment of semantics in keypoints, followed by the precise determination of their positions through a chain-of-thought process. With several carefully designed modules, KptLLM adeptly handles various modality inputs, facilitating the interpretation of both semantic contents and keypoint locations. Our extensive experiments demonstrate KptLLM's superiority in various keypoint detection benchmarks and its unique semantic capabilities in interpreting keypoints.
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Offline-to-online (O2O) reinforcement learning (RL) provides an effective means of leveraging an offline pre-trained policy as initialization to improve performance rapidly with limited online interactions. Recent studies often design fine-tuning strategies for a specific offline RL method and cannot perform general O2O learning from any offline method. To deal with this problem, we disclose that there are evaluation and improvement mismatches between the offline dataset and the online environment, which hinders the direct application of pre-trained policies to online fine-tuning. In this paper, we propose to handle these two mismatches simultaneously, which aims to achieve general O2O learning from any offline method to any online method. Before online fine-tuning, we re-evaluate the pessimistic critic trained on the offline dataset in an optimistic way and then calibrate the misaligned critic with the reliable offline actor to avoid erroneous update. After obtaining an optimistic and and aligned critic, we perform constrained fine-tuning to combat distribution shift during online learning. We show empirically that the proposed method can achieve stable and efficient performance improvement on multiple simulated tasks when compared to the state-of-the-art methods.
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The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are *uniform*; in reality, word frequencies follow a highly non-uniform distribution, known as *Zipf's law*. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.
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Real-time decision-making gets more attention in the big data era. Here, we consider the problem of sample selection in the online setting, where one encounters a possibly infinite sequence of individuals collected over time with covariate information available. The goal is to select samples of interest that are characterized by their unobserved responses until the user-specified stopping time. We derive a new decision rule that enables us to find more preferable samples that meet practical requirements by simultaneously controlling two types of general constraints: individual and interactive constraints, which include the widely utilized False Selection Rate (FSR), cost limitations, and diversity of selected samples. The key elements of our approach involve quantifying the uncertainty of response predictions via predictive inference and addressing individual and interactive constraints in a sequential manner. Theoretical and numerical results demonstrate the effectiveness of the proposed method in controlling both individual and interactive constraints.
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Our visual experience in daily life are dominated by dynamic change. Decoding such dynamic information from brain activity can enhance the understanding of the brain’s visual processing system. However, previous studies predominately focus on reconstructing static visual stimuli. In this paper, we explore to decode dynamic visual perception from electroencephalography (EEG), a neuroimaging technique able to record brain activity with high temporal resolution (1000 Hz) for capturing rapid changes in brains. Our contributions are threefold: Firstly, we develop a large dataset recording signals from 20 subjects while they were watching 1400 dynamic video clips of 40 concepts. This dataset fills the gap in the lack of EEG-video pairs. Secondly, we annotate each video clips to investigate the potential for decoding some specific meta information (e.g., color, dynamic, human or not) from EEG. Thirdly, we propose a novel baseline EEG2Video for video reconstruction from EEG signals that better aligns dynamic movements with high temporal resolution brain signals by Seq2Seq architecture. EEG2Video achieves a 2-way accuracy of 79.8% in semantic classification tasks and 0.256 in structural similarity index (SSIM). Overall, our works takes an important step towards decoding dynamic visual perception from EEG signals. Our dataset and code will be released soon.
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State-of-the-art (SOTA) semi-supervised learning techniques, such as FixMatch and it's variants, have demonstrated impressive performance in classification tasks. However, these methods are not directly applicable to regression tasks. In this paper, we present RankUp, a simple yet effective approach that adapts existing semi-supervised classification techniques to enhance the performance of regression tasks. RankUp achieves this by converting the original regression task into a ranking problem and training it concurrently with the original regression objective. This auxiliary ranking classifier outputs a classification result, thus enabling integration with existing semi-supervised classification methods. Moreover, we introduce regression distribution alignment (RDA), a complementary technique that further enhances RankUp's performance by refining pseudo-labels through distribution alignment. Despite its simplicity, RankUp, with or without RDA, achieves SOTA results in across a range of regression benchmarks, including computer vision, audio, and natural language processing tasks. Our code and log data are open-sourced at [https://github.com/pm25/semi-supervised-regression](https://github.com/pm25/semi-supervised-regression).
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Given a graph with textual attributes, we enable users to `chat with their graph': that is, to ask questions about the graph using a conversational interface. In response to a user's questions, our method provides textual replies and highlights the relevant parts of the graph. While existing works integrate large language models (LLMs) and graph neural networks (GNNs) in various ways, they mostly focus on either conventional graph tasks (such as node, edge, and graph classification), or on answering simple graph queries on small or synthetic graphs. In contrast, we develop a flexible question-answering framework targeting real-world textual graphs, applicable to multiple applications including scene graph understanding, common sense reasoning, and knowledge graph reasoning. Toward this goal, we first develop a Graph Question Answering (GraphQA) benchmark with data collected from different tasks. Then, we propose our \textit{G-Retriever} method, introducing the first retrieval-augmented generation (RAG) approach for general textual graphs, which can be fine-tuned to enhance graph understanding via soft prompting. To resist hallucination and to allow for textual graphs that greatly exceed the LLM's context window size, \textit{G-Retriever} performs RAG over a graph by formulating this task as a Prize-Collecting Steiner Tree optimization problem. Empirical evaluations show that our method outperforms baselines on textual graph tasks from multiple domains, scales well with larger graph sizes, and mitigates hallucination.~\footnote{Our codes and datasets are available at: \url{https://github.com/XiaoxinHe/G-Retriever}}
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Multi-modal domain generalization (MMDG) requires that models trained on multi-modal source domains can generalize to unseen target distributions with the same modality set. Sharpness-aware minimization (SAM) is an effective technique for traditional uni-modal domain generalization (DG), however, with limited improvement in MMDG. In this paper, we identify that modality competition and discrepant uni-modal flatness are two main factors that restrict multi-modal generalization. To overcome these challenges, we propose to construct consistent flat loss regions and enhance knowledge exploitation for each modality via cross-modal knowledge transfer. Firstly, we turn to the optimization on representation-space loss landscapes instead of traditional parameter space, which allows us to build connections between modalities directly. Then, we introduce a novel method to flatten the high-loss region between minima from different modalities by interpolating mixed multi-modal representations. We implement this method by distilling and optimizing generalizable interpolated representations and assigning distinct weights for each modality considering their divergent generalization capabilities. Extensive experiments are performed on two benchmark datasets, EPIC-Kitchens and Human-Animal-Cartoon (HAC), with various modality combinations, demonstrating the effectiveness of our method under multi-source and single-source settings. Our code is open-sourced.
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Contextual multinomial logit (MNL) bandits capture many real-world assortment recommendation problems such as online retailing/advertising. However, prior work has only considered (generalized) linear value functions, which greatly limits its applicability. Motivated by this fact, in this work, we consider contextual MNL bandits with a general value function class that contains the ground truth, borrowing ideas from a recent trend of studies on contextual bandits. Specifically, we consider both the stochastic and the adversarial settings, and propose a suite of algorithms, each with different computation-regret trade-off. When applied to the linear case, our results not only are the first ones with no dependence on a certain problem-dependent constant that can be exponentially large, but also enjoy other advantages such as computational efficiency, dimension-free regret bounds, or the ability to handle completely adversarial contexts and rewards.
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End-to-end transformer-based trackers have achieved remarkable performance on most human-related datasets. However, training these trackers in heterogeneous scenarios poses significant challenges, including negative interference - where the model learns conflicting scene-specific parameters - and limited domain generalization, which often necessitates expensive fine-tuning to adapt the models to new domains. In response to these challenges, we introduce Parameter-efficient Scenario-specific Tracking Architecture (PASTA), a novel framework that combines Parameter-Efficient Fine-Tuning (PEFT) and Modular Deep Learning (MDL). Specifically, we define key scenario attributes (e.g, camera-viewpoint, lighting condition) and train specialized PEFT modules for each attribute. These expert modules are combined in parameter space, enabling systematic generalization to new domains without increasing inference time. Extensive experiments on MOTSynth, along with zero-shot evaluations on MOT17 and PersonPath22 demonstrate that a neural tracker built from carefully selected modules surpasses its monolithic counterpart. We release models and code.
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Recent research has shown that pre-trained vision-language models are effective at identifying out-of-distribution (OOD) samples by using negative labels as guidance. However, employing consistent negative labels across different OOD datasets often results in semantic misalignments, as these text labels may not accurately reflect the actual space of OOD images. To overcome this issue, we introduce \textit{adaptive negative proxies}, which are dynamically generated during testing by exploring actual OOD images, to align more closely with the underlying OOD label space and enhance the efficacy of negative proxy guidance. Specifically, our approach utilizes a feature memory bank to selectively cache discriminative features from test images, representing the targeted OOD distribution. This facilitates the creation of proxies that can better align with specific OOD datasets. While task-adaptive proxies average features to reflect the unique characteristics of each dataset, the sample-adaptive proxies weight features based on their similarity to individual test samples, exploring detailed sample-level nuances. The final score for identifying OOD samples integrates static negative labels with our proposed adaptive proxies, effectively combining textual and visual knowledge for enhanced performance. Our method is training-free and annotation-free, and it maintains fast testing speed. Extensive experiments across various benchmarks demonstrate the effectiveness of our approach, abbreviated as AdaNeg. Notably, on the large-scale ImageNet benchmark, our AdaNeg significantly outperforms existing methods, with a 2.45\% increase in AUROC and a 6.48\% reduction in FPR95. Codes are available at \url{https://github.com/YBZh/OpenOOD-VLM}.
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Deep learning algorithms have recently gained significant attention due to their impressive performance. However, their high complexity and un-interpretable mode of operation hinders their confident deployment in real-world safety-critical tasks. This work targets ante hoc interpretability, and specifically Concept Bottleneck Models (CBMs). Our goal is to design a framework that admits a highly interpretable decision making process with respect to human understandable concepts, on two levels of granularity. To this end, we propose a novel two-level concept discovery formulation leveraging: (i) recent advances in vision-language models, and (ii) an innovative formulation for coarse-to-fine concept selection via data-driven and sparsity inducing Bayesian arguments. Within this framework, concept information does not solely rely on the similarity between the whole image and general unstructured concepts; instead, we introduce the notion of concept hierarchy to uncover and exploit more granular concept information residing in patch-specific regions of the image scene. As we experimentally show, the proposed construction not only outperforms recent CBM approaches, but also yields a principled framework towards interpetability.
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Protecting the copyright of large language models (LLMs) has become crucial due to their resource-intensive training and accompanying carefully designed licenses. However, identifying the original base model of an LLM is challenging due to potential parameter alterations. In this study, we introduce HuRef, a human-readable fingerprint for LLMs that uniquely identifies the base model without interfering with training or exposing model parameters to the public. We first observe that the vector direction of LLM parameters remains stable after the model has converged during pretraining, with negligible perturbations through subsequent training steps, including continued pretraining, supervised fine-tuning, and RLHF, which makes it a sufficient condition to identify the base model. The necessity is validated by continuing to train an LLM with an extra term to drive away the model parameters' direction and the model becomes damaged. However, this direction is vulnerable to simple attacks like dimension permutation or matrix rotation, which significantly change it without affecting performance. To address this, leveraging the Transformer structure, we systematically analyze potential attacks and define three invariant terms that identify an LLM's base model. Due to the potential risk of information leakage, we cannot publish invariant terms directly. Instead, we map them to a Gaussian vector using an encoder, then convert it into a natural image using StyleGAN2, and finally publish the image. In our black-box setting, all fingerprinting steps are internally conducted by the LLMs owners. To ensure the published fingerprints are honestly generated, we introduced Zero-Knowledge Proof (ZKP). Experimental results across various LLMs demonstrate the effectiveness of our method. The code is available at https://github.com/LUMIA-Group/HuRef.
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We introduce a novel implicit field representation tailored for multi-person interaction geometry in 3D spaces, capable of simultaneously reconstructing occupancy, instance identification (ID) tags, and contact fields. Volumetric representation of interacting human bodies presents significant challenges, including inaccurately captured geometries, varying degrees of occlusion, and data scarcity. Existing multi-view methods, which either reconstruct each subject in isolation or merge nearby 3D surfaces into a single unified mesh, often fail to capture the intricate geometry between interacting bodies and exploit on datasets with many views and a small group of people for training. Our approach utilizes an implicit representation for interaction geometry contextualized by a multi-view local-global feature module. This module adeptly aggregates both local and global information from individual views and interacting groups, enabling precise modeling of close physical interactions through dense point retrieval in small areas, supported by the implicit fields. Furthermore, we develop a synthetic dataset encompassing diverse multi-person interaction scenarios to enhance the robustness of our geometry estimation. The experimental results demonstrate the superiority of our method to accurately reconstruct human geometries and ID tags within three-dimensional spaces, outperforming conventional multi-view techniques. Notably, our method facilitates unsupervised estimation of contact points without the need for specific training data on contact supervision.
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This paper analyzes the inverse relationship between the order of partial differential equations (PDEs) and the convergence of gradient descent in physics-informed neural networks (PINNs) with the power of ReLU activation. The integration of the PDE into a loss function endows PINNs with a distinctive feature to require computing derivatives of model up to the PDE order. Although it has been empirically observed that PINNs encounter difficulties in convergence when dealing with high-order or high-dimensional PDEs, a comprehensive theoretical understanding of this issue remains elusive. This paper offers theoretical support for this pathological behavior by demonstrating that the gradient flow converges in a lower probability when the PDE order is higher. In addition, we show that PINNs struggle to address high-dimensional problems because the influence of dimensionality on convergence is exacerbated with increasing PDE order. To address the pathology, we use the insights garnered to consider variable splitting that decomposes the high-order PDE into a system of lower-order PDEs. We prove that by reducing the differential order, the gradient flow of variable splitting is more likely to converge to the global optimum. Furthermore, we present numerical experiments in support of our theoretical claims.
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Using image models naively for solving inverse video problems often suffers from flickering, texture-sticking, and temporal inconsistency in generated videos. To tackle these problems, in this paper, we view frames as continuous functions in the 2D space, and videos as a sequence of continuous warping transformations between different frames. This perspective allows us to train function space diffusion models only on **images** and utilize them to solve temporally correlated inverse problems. The function space diffusion models need to be equivariant with respect to the underlying spatial transformations. To ensure temporal consistency, we introduce a simple post-hoc test-time guidance towards (self)-equivariant solutions. Our method allows us to deploy state-of-the-art latent diffusion models such as Stable Diffusion XL to solve video inverse problems. We demonstrate the effectiveness of our method for video inpainting and $8\times$ video super-resolution, outperforming existing techniques based on noise transformations. We provide generated video results in the following URL: https://giannisdaras.github.io/warped_diffusion.github.io/.
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We study online composite optimization under the Stochastically Extended Adversarial (SEA) model. Specifically, each loss function consists of two parts: a fixed non-smooth and convex regularizer, and a time-varying function which can be chosen either stochastically, adversarially, or in a manner that interpolates between the two extremes. In this setting, we show that for smooth and convex time-varying functions, optimistic composite mirror descent (OptCMD) can obtain an $\mathcal{O}(\sqrt{\sigma_{1:T}^2} + \sqrt{\Sigma_{1:T}^2})$ regret bound, where $\sigma_{1:T}^2$ and $\Sigma_{1:T}^2$ denote the cumulative stochastic variance and the cumulative adversarial variation of time-varying functions, respectively. For smooth and strongly convex time-varying functions, we establish an $\mathcal{O}((\sigma_{\max}^2 + \Sigma_{\max}^2)\log(\sigma_{1:T}^2 + \Sigma_{1:T}^2))$ regret bound, where $\sigma_{\max}^2$ and $\Sigma_{\max}^2$ denote the maximal stochastic variance and the maximal adversarial variation, respectively. For smooth and exp-concave time-varying functions, we achieve an $\mathcal{O}(d \log (\sigma_{1:T}^2 + \Sigma_{1:T}^2))$ bound where $d$ denotes the dimensionality. Moreover, to deal with the unknown function type in practical problems, we propose a multi-level \textit{universal} algorithm that is able to achieve the desirable bounds for three types of time-varying functions simultaneously. It should be noticed that all our findings match existing bounds for the SEA model without the regularizer, which implies that there is \textit{no price} in regret bounds for the benefits gained from the regularizer.
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Despite their widespread use, the mechanisms by which large language models (LLMs) represent and regulate uncertainty in next-token predictions remain largely unexplored. This study investigates two critical components believed to influence this uncertainty: the recently discovered entropy neurons and a new set of components that we term token frequency neurons. Entropy neurons are characterized by an unusually high weight norm and influence the final layer normalization (LayerNorm) scale to effectively scale down the logits. Our work shows that entropy neurons operate by writing onto an \textit{unembedding null space}, allowing them to impact the residual stream norm with minimal direct effect on the logits themselves. We observe the presence of entropy neurons across a range of models, up to 7 billion parameters. On the other hand, token frequency neurons, which we discover and describe here for the first time, boost or suppress each token’s logit proportionally to its log frequency, thereby shifting the output distribution towards or away from the unigram distribution. Finally, we present a detailed case study where entropy neurons actively manage confidence: the setting of induction, i.e. detecting and continuing repeated subsequences.
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As Large Language Models (LLMs) are increasingly deployed in specialized domains with continuously evolving knowledge, the need for timely and precise knowledge injection has become essential. Fine-tuning with paraphrased data is a common approach to enhance knowledge injection, yet it faces two significant challenges: high computational costs due to repetitive external model usage and limited sample diversity. To this end, we introduce LaPael, a latent-level paraphrasing method that applies input-dependent noise to early LLM layers. This approach enables diverse and semantically consistent augmentations directly within the model. Furthermore, it eliminates the recurring costs of paraphrase generation for each knowledge update. Our extensive experiments on question-answering benchmarks demonstrate that LaPael improves knowledge injection over standard fine-tuning and existing noise-based approaches. Additionally, combining LaPael with data-level paraphrasing further enhances performance.
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Although the neural radiance field (NeRF) exhibits high-fidelity visualization on the rendering task, it still suffers from rendering defects, especially in complex scenes. In this paper, we delve into the reason for the unsatisfactory performance and conjecture that it comes from interference in the training process. Due to occlusions in complex scenes, a 3D point may be invisible to some rays. On such a point, training with those rays that do not contain valid information about the point might interfere with the NeRF training. Based on the above intuition, we decouple the training process of NeRF in the ray dimension softly and propose a Ray-decoupled Training Framework for neural rendering (Rad-NeRF). Specifically, we construct an ensemble of sub-NeRFs and train a soft gate module to assign the gating scores to these sub-NeRFs based on specific rays. The gate module is jointly optimized with the sub-NeRF ensemble to learn the preference of sub-NeRFs for different rays automatically. Furthermore, we introduce depth-based mutual learning to enhance the rendering consistency among multiple sub-NeRFs and mitigate the depth ambiguity. Experiments on five datasets demonstrate that Rad-NeRF can enhance the rendering performance across a wide range of scene types compared with existing single-NeRF and multi-NeRF methods. With only 0.2% extra parameters, Rad-NeRF improves rendering performance by up to 1.5dB. Code is available at https://github.com/thu-nics/Rad-NeRF.
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We study the proportional clustering problem of Chen et al. (ICML'19) and relate it to the area of multiwinner voting in computational social choice. We show that any clustering satisfying a weak proportionality notion of Brill and Peters (EC'23) simultaneously obtains the best known approximations to the proportional fairness notion of Chen et al., but also to individual fairness (Jung et al., FORC'20) and the ``core'' (Li et al., ICML'21). In fact, we show that any approximation to proportional fairness is also an approximation to individual fairness and vice versa. Finally, we also study stronger notions of proportional representation, in which deviations do not only happen to single, but multiple candidate centers, and show that stronger proportionality notions of Brill and Peters imply approximations to these stronger guarantees.
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Existing perception models achieve great success by learning from large amounts of labeled data, but they still struggle with open-world scenarios. To alleviate this issue, researchers introduce open-set perception tasks to detect or segment unseen objects in the training set. However, these models require predefined object categories as inputs during inference, which are not available in real-world scenarios. Recently, researchers pose a new and more practical problem, i.e., open-ended object detection, which discovers unseen objects without any object categories as inputs. In this paper, we present VL-SAM, a training-free framework that combines the generalized object recognition model (i.e., Vision-Language Model) with the generalized object localization model (i.e., Segment-Anything Model), to address the open-ended object detection and segmentation task. Without additional training, we connect these two generalized models with attention maps as the prompts. Specifically, we design an attention map generation module by employing head aggregation and a regularized attention flow to aggregate and propagate attention maps across all heads and layers in VLM, yielding high-quality attention maps. Then, we iteratively sample positive and negative points from the attention maps with a prompt generation module and send the sampled points to SAM to segment corresponding objects. Experimental results on the long-tail instance segmentation dataset (LVIS) show that our method surpasses the previous open-ended method on the object detection task and can provide additional instance segmentation masks. Besides, VL-SAM achieves favorable performance on the corner case object detection dataset (CODA), demonstrating the effectiveness of VL-SAM in real-world applications. Moreover, VL-SAM exhibits good model generalization that can incorporate various VLMs and SAMs.
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We accelerate the iterative hard thresholding (IHT) method, which finds \(k\) important elements from a parameter vector in a linear regression model. Although the plain IHT repeatedly updates the parameter vector during the optimization, computing gradients is the main bottleneck. Our method safely prunes unnecessary gradient computations to reduce the processing time.The main idea is to efficiently construct a candidate set, which contains \(k\) important elements in the parameter vector, for each iteration. Specifically, before computing the gradients, we prune unnecessary elements in the parameter vector for the candidate set by utilizing upper bounds on absolute values of the parameters. Our method guarantees the same optimization results as the plain IHT because our pruning is safe. Experiments show that our method is up to 73 times faster than the plain IHT without degrading accuracy.
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Enabling deep models to generalize in non-stationary environments is vital for real-world machine learning, as data distributions are often found to continually change. Recently, evolving domain generalization (EDG) has emerged to tackle the domain generalization in a time-varying system, where the domain gradually evolves over time in an underlying continuous structure. Nevertheless, it typically assumes multiple source domains simultaneously ready. It still remains an open problem to address EDG in the domain-incremental setting, where source domains are non-static and arrive sequentially to mimic the evolution of training domains. To this end, we propose Weight Diffusion (W-Diff), a novel framework that utilizes the conditional diffusion model in the parameter space to learn the evolving pattern of classifiers during the domain-incremental training process. Specifically, the diffusion model is conditioned on the classifier weights of different historical domain (regarded as a reference point) and the prototypes of current domain, to learn the evolution from the reference point to the classifier weights of current domain (regarded as the anchor point). In addition, a domain-shared feature encoder is learned by enforcing prediction consistency among multiple classifiers, so as to mitigate the overfitting problem and restrict the evolving pattern to be reflected in the classifier as much as possible. During inference, we adopt the ensemble manner based on a great number of target domain-customized classifiers, which are cheaply obtained via the conditional diffusion model, for robust prediction. Comprehensive experiments on both synthetic and real-world datasets show the superior generalization performance of W-Diff on unseen domains in the future.
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We study a general clustering setting in which we have $n$ elements to be clustered, and we aim to perform as few queries as possible to an oracle that returns a noisy sample of the weighted similarity between two elements. Our setting encompasses many application domains in which the similarity function is costly to compute and inherently noisy. We introduce two novel formulations of online learning problems rooted in the paradigm of Pure Exploration in Combinatorial Multi-Armed Bandits (PE-CMAB): fixed confidence and fixed budget settings. For both settings, we design algorithms that combine a sampling strategy with a classic approximation algorithm for correlation clustering and study their theoretical guarantees. Our results are the first examples of polynomial-time algorithms that work for the case of PE-CMAB in which the underlying offline optimization problem is NP-hard.
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Visual Place Recognition (VPR) is essential for mobile robots as it enables them to retrieve images from a database closest to their current location. The progress of Visual Foundation Models (VFMs) has significantly advanced VPR by capturing representative descriptors in images. However, existing fine-tuning efforts for VFMs often overlook the crucial role of probing in effectively adapting these descriptors for improved image representation. In this paper, we propose the Centroid-Free Probing (CFP) stage, making novel use of second-order features for more effective use of descriptors from VFMs. Moreover, to control the preservation of task-specific information adaptively based on the context of the VPR, we introduce the Dynamic Power Normalization (DPN) module in both the recalibration and CFP stages, forming a novel Parameter Efficiency Fine-Tuning (PEFT) pipeline (EMVP) tailored for the VPR task. Extensive experiments demonstrate the superiority of the proposed CFP over existing probing methods. Moreover, the EMVP pipeline can further enhance fine-tuning performance in terms of accuracy and efficiency. Specifically, it achieves 93.9\%, 96.5\%, and 94.6\% Recall@1 on the MSLS Validation, Pitts250k-test, and SPED datasets, respectively, while saving 64.3\% of trainable parameters compared with the existing SOTA PEFT method.
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While autonomous agents often surpass humans in their ability to handle vast and complex data, their potential misalignment (i.e., lack of transparency regarding their true objective) has thus far hindered their use in critical applications such as social decision processes. More importantly, existing alignment methods provide no formal guarantees on the safety of such models. Drawing from utility and social choice theory, we provide a novel quantitative definition of alignment in the context of social decision-making. Building on this definition, we introduce probably approximately aligned (i.e., near-optimal) policies, and we derive a sufficient condition for their existence. Lastly, recognizing the practical difficulty of satisfying this condition, we introduce the relaxed concept of safe (i.e., nondestructive) policies, and we propose a simple yet robust method to safeguard the black-box policy of any autonomous agent, ensuring all its actions are verifiably safe for the society.
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Conformal Prediction (CP) is a distribution-free uncertainty estimation framework that constructs prediction sets guaranteed to contain the true answer with a user-specified probability. Intuitively, the size of the prediction set encodes a general notion of uncertainty, with larger sets associated with higher degrees of uncertainty. In this work, we leverage information theory to connect conformal prediction to other notions of uncertainty. More precisely, we prove three different ways to upper bound the intrinsic uncertainty, as described by the conditional entropy of the target variable given the inputs, by combining CP with information theoretical inequalities. Moreover, we demonstrate two direct and useful applications of such connection between conformal prediction and information theory: (i) more principled and effective conformal training objectives that generalize previous approaches and enable end-to-end training of machine learning models from scratch, and (ii) a natural mechanism to incorporate side information into conformal prediction. We empirically validate both applications in centralized and federated learning settings, showing our theoretical results translate to lower inefficiency (average prediction set size) for popular CP methods.
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In this paper, we obtain the Berry–Esseen bound for multivariate normal approximation for the Polyak-Ruppert averaged iterates of the linear stochastic approximation (LSA) algorithm with decreasing step size. Moreover, we prove the non-asymptotic validity of the confidence intervals for parameter estimation with LSA based on multiplier bootstrap. This procedure updates the LSA estimate together with a set of randomly perturbed LSA estimates upon the arrival of subsequent observations. We illustrate our findings in the setting of temporal difference learning with linear function approximation.
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In this paper we present a novel method for efficient and effective 3D surface reconstruction in open scenes. Existing Neural Radiance Fields (NeRF) based works typically require extensive training and rendering time due to the adopted implicit representations. In contrast, 3D Gaussian splatting (3DGS) uses an explicit and discrete representation, hence the reconstructed surface is built by the huge number of Gaussian primitives, which leads to excessive memory consumption and rough surface details in sparse Gaussian areas. To address these issues, we propose Gaussian Voxel Kernel Functions (GVKF), which establish a continuous scene representation based on discrete 3DGS through kernel regression. The GVKF integrates fast 3DGS rasterization and highly effective scene implicit representations, achieving high-fidelity open scene surface reconstruction. Experiments on challenging scene datasets demonstrate the efficiency and effectiveness of our proposed GVKF, featuring with high reconstruction quality, real-time rendering speed, significant savings in storage and training memory consumption.
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Network pruning is a commonly used measure to alleviate the storage and computational burden of deep neural networks. However, the fundamental limit of network pruning is still lacking. To close the gap, in this work we'll take a first-principles approach, i.e. we'll directly impose the sparsity constraint on the loss function and leverage the framework of *statistical dimension* in convex geometry, thus we're able to characterize the sharp phase transition point, i.e. the fundamental limit of the pruning ratio. Through this fundamental limit, we're able to identify two key factors that determine the pruning ratio limit, namely, *weight magnitude* and *network flatness*. Generally speaking, the flatter the loss landscape or the smaller the weight magnitude, the smaller pruning ratio. Moreover, we provide efficient countermeasures to address the challenges in the computation of the pruning limit, which involves accurate spectrum estimation of a large-scale and non-positive Hessian matrix. Moreover, through the lens of the pruning ratio threshold, we can provide rigorous interpretations on several heuristics in existing pruning algorithms. Extensive experiments are performed that demonstrate that our theoretical pruning ratio threshold coincides very well with the experiments. All codes are available at: https://anonymous.4open.science/r/Global-One-shot-Pruning-BC7B
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As the development and application of Large Language Models (LLMs) continue to advance rapidly, enhancing their trustworthiness and aligning them with human preferences has become a critical area of research. Traditional methods rely heavily on extensive data for Reinforcement Learning from Human Feedback (RLHF), but representation engineering offers a new, training-free approach. This technique leverages semantic features to control the representation of LLM's intermediate hidden states, enabling the model to meet specific requirements such as increased honesty or heightened safety awareness. However, a significant challenge arises when attempting to fulfill multiple requirements simultaneously. It proves difficult to encode various semantic contents, like honesty and safety, into a singular semantic feature, restricting its practicality. In this work, we address this challenge through Sparse Activation Control. By delving into the intrinsic mechanisms of LLMs, we manage to identify and pinpoint modules that are closely related to specific tasks within the model, i.e. attention heads. These heads display sparse characteristics that allow for near-independent control over different tasks. Our experiments, conducted on the open-source Llama series models, have yielded encouraging results. The models were able to align with human preferences on issues of safety, factualness, and bias concurrently.
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Graph representation learning (GRL) is critical for extracting insights from complex network structures, but it also raises security concerns due to potential privacy vulnerabilities in these representations. This paper investigates the structural vulnerabilities in graph neural models where sensitive topological information can be inferred through edge reconstruction attacks. Our research primarily addresses the theoretical underpinnings of similarity-based edge reconstruction attacks (SERA), furnishing a non-asymptotic analysis of their reconstruction capacities. Moreover, we present empirical corroboration indicating that such attacks can perfectly reconstruct sparse graphs as graph size increases. Conversely, we establish that sparsity is a critical factor for SERA's effectiveness, as demonstrated through analysis and experiments on (dense) stochastic block models. Finally, we explore the resilience of private graph representations produced via noisy aggregation (NAG) mechanism against SERA. Through theoretical analysis and empirical assessments, we affirm the mitigation of SERA using NAG . In parallel, we also empirically delineate instances wherein SERA demonstrates both efficacy and deficiency in its capacity to function as an instrument for elucidating the trade-off between privacy and utility.
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Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language Models (LVLMs). However, the competency of the LLMs and instruction tuning have been less explored in the molecular domain. Thus, we propose LLaMo: Large Language Model-based Molecular graph assistant, which is an end-to- end trained large molecular graph-language model. To bridge the discrepancy between the language and graph modalities, we present the multi-level graph projector that transforms graph representations into graph tokens by abstracting the output representations of each GNN layer and motif representations with the cross-attention mechanism. We also introduce machine-generated molecular graph instruction data to instruction-tune the large molecular graph-language model for general-purpose molecule and language understanding. Our extensive experiments demonstrate that LLaMo shows the best performance on diverse tasks, such as molecular description generation, property prediction, and IUPAC name prediction. The code of LLaMo is available at https://github.com/mlvlab/LLaMo.
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Bayesian Optimization (BO) has proven to be very successful at optimizing a static, noisy, costly-to-evaluate black-box function $f : \mathcal{S} \to \mathbb{R}$. However, optimizing a black-box which is also a function of time (*i.e.*, a *dynamic* function) $f : \mathcal{S} \times \mathcal{T} \to \mathbb{R}$ remains a challenge, since a dynamic Bayesian Optimization (DBO) algorithm has to keep track of the optimum over time. This changes the nature of the optimization problem in at least three aspects: (i) querying an arbitrary point in $\mathcal{S} \times \mathcal{T}$ is impossible, (ii) past observations become less and less relevant for keeping track of the optimum as time goes by and (iii) the DBO algorithm must have a high sampling frequency so it can collect enough relevant observations to keep track of the optimum through time. In this paper, we design a Wasserstein distance-based criterion able to quantify the relevancy of an observation with respect to future predictions. Then, we leverage this criterion to build W-DBO, a DBO algorithm able to remove irrelevant observations from its dataset on the fly, thus maintaining simultaneously a good predictive performance and a high sampling frequency, even in continuous-time optimization tasks with unknown horizon. Numerical experiments establish the superiority of W-DBO, which outperforms state-of-the-art methods by a comfortable margin.
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Many causal discovery methods typically rely on the assumption of independent noise, yet real-life situations often involve deterministic relationships. In these cases, observed variables are represented as deterministic functions of their parental variables without noise. When determinism is present, constraint-based methods encounter challenges due to the violation of the faithfulness assumption. In this paper, we find, supported by both theoretical analysis and empirical evidence, that score-based methods with exact search can naturally address the issues of deterministic relations under rather mild assumptions. Nonetheless, exact score-based methods can be computationally expensive. To enhance the efficiency and scalability, we develop a novel framework for causal discovery that can detect and handle deterministic relations, called Determinism-aware Greedy Equivalent Search (DGES). DGES comprises three phases: (1) identify minimal deterministic clusters (i.e., a minimal set of variables with deterministic relationships), (2) run modified Greedy Equivalent Search (GES) to obtain an initial graph, and (3) perform exact search exclusively on the deterministic cluster and its neighbors. The proposed DGES accommodates both linear and nonlinear causal relationships, as well as both continuous and discrete data types. Furthermore, we investigate the identifiability conditions of DGES. We conducted extensive experiments on both simulated and real-world datasets to show the efficacy of our proposed method.
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Large-scale diffusion models are adept at generating high-fidelity images and facilitating image editing and interpolation. However, they have limitations when tasked with generating images in dynamic, evolving domains. In this paper, we introduce Terra, a novel Time-varying low-rank adapter that offers a fine-tuning framework specifically tailored for domain flow generation. The key innovation of Terra lies in its construction of a continuous parameter manifold through a time variable, with its expressive power analyzed theoretically. This framework not only enables interpolation of image content and style but also offers a generation-based approach to address the domain shift problems in unsupervised domain adaptation and domain generalization. Specifically, Terra transforms images from the source domain to the target domain and generates interpolated domains with various styles to bridge the gap between domains and enhance the model generalization, respectively. We conduct extensive experiments on various benchmark datasets, empirically demonstrate the effectiveness of Terra. Our source code is publicly available on https://github.com/zwebzone/terra.
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Entity alignment (EA) aims to merge two knowledge graphs (KGs) by identifying equivalent entity pairs. While existing methods heavily rely on human-generated labels, it is prohibitively expensive to incorporate cross-domain experts for annotation in real-world scenarios. The advent of Large Language Models (LLMs) presents new avenues for automating EA with annotations, inspired by their comprehensive capability to process semantic information. However, it is nontrivial to directly apply LLMs for EA since the annotation space in real-world KGs is large. LLMs could also generate noisy labels that may mislead the alignment. To this end, we propose a unified framework, LLM4EA, to effectively leverage LLMs for EA. Specifically, we design a novel active learning policy to significantly reduce the annotation space by prioritizing the most valuable entities based on the entire inter-KG and intra-KG structure. Moreover, we introduce an unsupervised label refiner to continuously enhance label accuracy through in-depth probabilistic reasoning. We iteratively optimize the policy based on the feedback from a base EA model. Extensive experiments demonstrate the advantages of LLM4EA on four benchmark datasets in terms of effectiveness, robustness, and efficiency.
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As a widely explored multi-modal task, Temporal Sentence Grounding in videos (TSG) endeavors to retrieve a specific video segment matched with a given query text from a video. The traditional paradigm for TSG generally assumes that relevant segments always exist within a given video. However, this assumption is restrictive and unrealistic in real-world applications where the existence of a query-related segment is uncertain, easily resulting in erroneous grounding. Motivated by the research gap and practical application, this paper introduces a new task, named Temporal Sentence Grounding with Relevance Feedback (TSG-RF) in videos, which accommodates the possibility that a video may or may not include a segment related to the query. This task entails localizing precise video segments that semantically align with the query text when such content is present, while delivering definitive feedback on the non-existence of related segments when absent. Moreover, we propose a novel Relation-aware Temporal Sentence Grounding (RaTSG) network for addressing this challenging task. This network first reformulates the TSG-RF task as a foreground-background detection problem by investigating whether the query-related semantics exist in both frame and video levels. Then, a multi-granularity relevance discriminator is exploited to produce precise video-query relevance feedback and a relation-aware segment grounding module is employed to selectively conduct the grounding process, dynamically adapting to the presence or absence of query-related segments in videos. To validate our RaTSG network, we reconstruct two popular TSG datasets, establishing a rigorous benchmark for TSG-RF. Experimental results demonstrate the effectiveness of our proposed RaTSG for the TSG-RF task. Our source code is available at https://github.com/HuiGuanLab/RaTSG.
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Although the transformer architecture has come to dominate other models for text and image data, its application to irregularly-spaced longitudinal data has been limited. We introduce a variant of the transformer that enables it to more smoothly impute such functional data. We augment the vanilla transformer with a simple module we call SAND (self-attention on derivatives), which naturally encourages smoothness by modeling the sub-derivative of the imputed curve. On the theoretical front, we prove the number of hidden nodes required by a network with SAND to achieve an $\epsilon$ prediction error bound for functional imputation. Extensive experiments over various types of functional data demonstrate that transformers with SAND produce better imputations than both their standard counterparts as well as transformers augmented with alternative approaches to encode the inductive bias of smoothness. SAND also outperforms standard statistical methods for functional imputation like kernel smoothing and PACE.
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Whole slide image (WSI) analysis is gaining prominence within the medical imaging field. Recent advances in pathology foundation models have shown the potential to extract powerful feature representations from WSIs for downstream tasks. However, these foundation models are usually designed for general-purpose pathology image analysis and may not be optimal for specific downstream tasks or cancer types. In this work, we present Concept Anchor-guided Task-specific Feature Enhancement (CATE), an adaptable paradigm that can boost the expressivity and discriminativeness of pathology foundation models for specific downstream tasks. Based on a set of task-specific concepts derived from the pathology vision-language model with expert-designed prompts, we introduce two interconnected modules to dynamically calibrate the generic image features extracted by foundation models for certain tasks or cancer types. Specifically, we design a Concept-guided Information Bottleneck module to enhance task-relevant characteristics by maximizing the mutual information between image features and concept anchors while suppressing superfluous information. Moreover, a Concept-Feature Interference module is proposed to utilize the similarity between calibrated features and concept anchors to further generate discriminative task-specific features. The extensive experiments on public WSI datasets demonstrate that CATE significantly enhances the performance and generalizability of MIL models. Additionally, heatmap and umap visualization results also reveal the effectiveness and interpretability of CATE.
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This paper considers the distributed learning problem where a group of agents cooperatively minimizes the summation of their local cost functions based on peer-to-peer communication. Particularly, we propose a highly efficient algorithm, termed ``B-ary Tree Push-Pull'' (BTPP), that employs two B-ary spanning trees for distributing the information related to the parameters and stochastic gradients across the network. The simple method is efficient in communication since each agent interacts with at most $(B+1)$ neighbors per iteration. More importantly, BTPP achieves linear speedup for smooth nonconvex objective functions with only $\tilde{O}(n)$ transient iterations, significantly outperforming the state-of-the-art results to the best of our knowledge.
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We introduce a multi-winner reconfiguration model to examine how to transition between subsets of alternatives (aka. committees) through a sequence of minor yet impactful modifications, called reconfiguration path. We analyze this model under four approval-based voting rules: Chamberlin-Courant (CC), Proportional Approval Voting (PAV), Approval Voting (AV), and Satisfaction Approval Voting (SAV). The problem exhibits computational intractability for CC and PAV, and polynomial solvability for AV and SAV. We provide a detailed multivariate complexity analysis for CC and PAV, demonstrating that although the problem remains challenging in many scenarios, there are specific cases that allow for efficient parameterized algorithms.
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This paper introduces a conformal inference method to evaluate uncertainty in classification by generating prediction sets with valid coverage conditional on adaptively chosen features. These features are carefully selected to reflect potential model limitations or biases. This can be useful to find a practical compromise between efficiency---by providing informative predictions---and algorithmic fairness---by ensuring equalized coverage for the most sensitive groups. We demonstrate the validity and effectiveness of this method on simulated and real data sets.
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We study the classic problem of prediction with expert advice under bandit feedback. Our model assumes that one action, corresponding to the learner's abstention from play, has no reward or loss on every trial. We propose the CBA (Confidence-rated Bandits with Abstentions) algorithm, which exploits this assumption to obtain reward bounds that can significantly improve those of the classical Exp4 algorithm. Our problem can be construed as the aggregation of confidence-rated predictors, with the learner having the option to abstain from play. We are the first to achieve bounds on the expected cumulative reward for general confidence-rated predictors. In the special case of specialists, we achieve a novel reward bound, significantly improving previous bounds of SpecialistExp (treating abstention as another action). We discuss how CBA can be applied to the problem of adversarial contextual bandits with the option of abstaining from selecting any action. We are able to leverage a wide range of inductive biases, outperforming previous approaches both theoretically and in preliminary experimental analysis. Additionally, we achieve a reduction in runtime from quadratic to almost linear in the number of contexts for the specific case of metric space contexts.
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Randomized trials are widely considered as the gold standard for evaluating the effects of decision policies. Trial data is, however, drawn from a population which may differ from the intended target population and this raises a problem of external validity (aka. generalizability). In this paper we seek to use trial data to draw valid inferences about the outcome of a policy on the target population. Additional covariate data from the target population is used to model the sampling of individuals in the trial study. We develop a method that yields certifiably valid trial-based policy evaluations under any specified range of model miscalibrations. The method is nonparametric and the validity is assured even with finite samples. The certified policy evaluations are illustrated using both simulated and real data.
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In-context learning (ICL) allows transformer-based language models that are pre-trained on general text to quickly learn a specific task with a few "task demonstrations" without updating their parameters, significantly boosting their flexibility and generality. ICL possesses many distinct characteristics from conventional machine learning, thereby requiring new approaches to interpret this learning paradigm. Taking the viewpoint of recent works showing that transformers learn in context by formulating an internal optimizer, we propose an influence function-based attribution technique, DETAIL, that addresses the specific characteristics of ICL. We empirically verify the effectiveness of our approach for demonstration attribution while being computationally efficient. Leveraging the results, we then show how DETAIL can help improve model performance in real-world scenarios through demonstration reordering and curation. Finally, we experimentally prove the wide applicability of DETAIL by showing our attribution scores obtained on white-box models are transferable to black-box models in improving model performance.
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Disentangled representation learning (DRL) aims to identify and decompose underlying factors behind observations, thus facilitating data perception and generation. However, current DRL approaches often rely on the unrealistic assumption that semantic factors are statistically independent. In reality, these factors may exhibit correlations, which off-the-shelf solutions have yet to properly address. To tackle this challenge, we introduce a bidirectional weighted graph-based framework, to learn factorized attributes and their interrelations within complex data. Specifically, we propose a $\beta$-VAE based module to extract factors as the initial nodes of the graph, and leverage the multimodal large language model (MLLM) to discover and rank latent correlations, thereby updating the weighted edges. By integrating these complementary modules, our model successfully achieves fine-grained, practical and unsupervised disentanglement. Experiments demonstrate our method's superior performance in disentanglement and reconstruction. Furthermore, the model inherits enhanced interpretability and generalizability from MLLMs.
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Recent advances in AI have been significantly driven by the capabilities of large language models (LLMs) to solve complex problems in ways that resemble human thinking. However, there is an ongoing debate about the extent to which LLMs are capable of actual reasoning. Central to this debate are two key probabilistic concepts that are essential for connecting causes to their effects: the probability of necessity (PN) and the probability of sufficiency (PS). This paper introduces a framework that is both theoretical and practical, aimed at assessing how effectively LLMs are able to replicate real-world reasoning mechanisms using these probabilistic measures. By viewing LLMs as abstract machines that process information through a natural language interface, we examine the conditions under which it is possible to compute suitable approximations of PN and PS. Our research marks an important step towards gaining a deeper understanding of when LLMs are capable of reasoning, as illustrated by a series of math examples.
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Exploiting symmetry inherent in data can significantly improve the sample efficiency of a learning procedure and the generalization of learned models. When data clearly reveals underlying symmetry, leveraging this symmetry can naturally inform the design of model architectures or learning strategies. Yet, in numerous real-world scenarios, identifying the specific symmetry within a given data distribution often proves ambiguous. To tackle this, some existing works learn symmetry in a data-driven manner, parameterizing and learning expected symmetry through data. However, these methods often rely on explicit knowledge, such as pre-defined Lie groups, which are typically restricted to linear or affine transformations. In this paper, we propose a novel symmetry learning algorithm based on transformations defined with one-parameter groups, continuously parameterized transformations flowing along the directions of vector fields called infinitesimal generators. Our method is built upon minimal inductive biases, encompassing not only commonly utilized symmetries rooted in Lie groups but also extending to symmetries derived from nonlinear generators. To learn these symmetries, we introduce a notion of a validity score that examine whether the transformed data is still valid for the given task. The validity score is designed to be fully differentiable and easily computable, enabling effective searches for transformations that achieve symmetries innate to the data. We apply our method mainly in two domains: image data and partial differential equations, and demonstrate its advantages. Our codes are available at \url{https://github.com/kogyeonghoon/learning-symmetry-from-scratch.git}.
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Diffusion models have revolutionized customized text-to-image generation, allowing for efficient synthesis of photos from personal data with textual descriptions. However, these advancements bring forth risks including privacy breaches and unauthorized replication of artworks. Previous researches primarily center around using “prompt-specific methods” to generate adversarial examples to protect personal images, yet the effectiveness of existing methods is hindered by constrained adaptability to different prompts. In this paper, we introduce a Prompt-Agnostic Adversarial Perturbation (PAP) method for customized diffusion models. PAP first models the prompt distribution using a Laplace Approximation, and then produces prompt-agnostic perturbations by maximizing a disturbance expectation based on the modeled distribution. This approach effectively tackles the prompt-agnostic attacks, leading to improved defense stability. Extensive experiments in face privacy and artistic style protection, demonstrate the superior generalization of our method in comparison to existing techniques.
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Flexible and accurate drag-based editing is a challenging task that has recently garnered significant attention. Current methods typically model this problem as automatically learning "how to drag" through point dragging and often produce one deterministic estimation, which presents two key limitations: 1) Overlooking the inherently ill-posed nature of drag-based editing, where multiple results may correspond to a given input, as illustrated in Fig.1; 2) Ignoring the constraint of image quality, which may lead to unexpected distortion. To alleviate this, we propose LucidDrag, which shifts the focus from "how to drag" to "what-then-how" paradigm. LucidDrag comprises an intention reasoner and a collaborative guidance sampling mechanism. The former infers several optimal editing strategies, identifying what content and what semantic direction to be edited. Based on the former, the latter addresses "how to drag" by collaboratively integrating existing editing guidance with the newly proposed semantic guidance and quality guidance. Specifically, semantic guidance is derived by establishing a semantic editing direction based on reasoned intentions, while quality guidance is achieved through classifier guidance using an image fidelity discriminator. Both qualitative and quantitative comparisons demonstrate the superiority of LucidDrag over previous methods.
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Current AI alignment methodologies rely on human-provided demonstrations or judgments, and the learned capabilities of AI systems would be upper-bounded by human capabilities as a result. This raises a challenging research question: How can we keep improving the systems when their capabilities have surpassed the levels of humans? This paper answers this question in the context of tackling hard reasoning tasks (e.g., level 4-5 MATH problems) via learning from human annotations on easier tasks (e.g., level 1-3 MATH problems), which we term as easy-to-hard generalization. Our key insight is that an evaluator (reward model) trained on supervisions for easier tasks can be effectively used for scoring candidate solutions of harder tasks and hence facilitating easy-to-hard generalization over different levels of tasks. Based on this insight, we propose a novel approach to scalable alignment, which firstly trains the (process-supervised) reward models on easy problems (e.g., level 1-3), and then uses them to evaluate the performance of policy models on hard problems. We show that such easy-to-hard generalization from evaluators can enable easy-to-hard generalizations in generators either through re-ranking or reinforcement learning (RL). Notably, our process-supervised 7b RL model and 34b model (reranking@1024) achieves an accuracy of 34.0% and 52.5% on MATH500, respectively, despite only using human supervision on easy problems. Our approach suggests a promising path toward AI systems that advance beyond the frontier of human supervision.
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Existing metrics for reinforcement learning (RL) such as regret, PAC bounds, or uniform-PAC (Dann et al., 2017), typically evaluate the cumulative performance, while allowing the play of an arbitrarily bad policy at any finite time t. Such a behavior can be highly detrimental in high-stakes applications. This paper introduces a stronger metric, uniform last-iterate (ULI) guarantee, capturing both cumulative and instantaneous performance of RL algorithms. Specifically, ULI characterizes the instantaneous performance since it ensures that the per-round suboptimality of the played policy is bounded by a function, monotonically decreasing w.r.t. (large) round t, preventing revisits to bad policies when sufficient samples are available. We demonstrate that a near-optimal ULI guarantee directly implies near-optimal cumulative performance across aforementioned metrics, but not the other way around. To examine the achievability of ULI, we first provide two positive results for bandit problems with finite arms, showing that some elimination-based algorithms and high-probability adversarial algorithms with stronger analysis or additional designs, can attain near-optimal ULI guarantees. We also provide a negative result, indicating that optimistic algorithms cannot achieve a near-optimal ULI guarantee. Furthermore, we propose an efficient algorithm for linear bandits with infinitely many arms, which achieves the ULI guarantee, given access to an optimization oracle. Finally, we propose an algorithm that achieves a near-optimal ULI guarantee for the online reinforcement learning setting.
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Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant learning methods--Invariant Risk Minimization (IRM) and Variance-Risk Extrapolation (VREx)--in node-level OOD settings. Our analysis reveals a critical limitation: these methods may struggle to identify invariant features due to the complexities introduced by the message-passing mechanism, which can obscure causal features within a range of neighboring samples. To address this, we propose Cross-environment Intra-class Alignment (CIA), which explicitly eliminates spurious features by aligning representations within the same class, bypassing the need for explicit knowledge of underlying causal patterns. To adapt CIA to node-level OOD scenarios where environment labels are hard to obtain, we further propose CIA-LRA (Localized Reweighting Alignment) that leverages the distribution of neighboring labels to selectively align node representations, effectively distinguishing and preserving invariant features while removing spurious ones, all without relying on environment labels. We theoretically prove CIA-LRA's effectiveness by deriving an OOD generalization error bound based on PAC-Bayesian analysis. Experiments on graph OOD benchmarks validate the superiority of CIA and CIA-LRA, marking a significant advancement in node-level OOD generalization.
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Semantic segmentation and semantic image synthesis are two representative tasks in visual perception and generation. While existing methods consider them as two distinct tasks, we propose a unified framework (SemFlow) and model them as a pair of reverse problems. Specifically, motivated by rectified flow theory, we train an ordinary differential equation (ODE) model to transport between the distributions of real images and semantic masks. As the training object is symmetric, samples belonging to the two distributions, images and semantic masks, can be effortlessly transferred reversibly. For semantic segmentation, our approach solves the contradiction between the randomness of diffusion outputs and the uniqueness of segmentation results. For image synthesis, we propose a finite perturbation approach to enhance the diversity of generated results without changing the semantic categories. Experiments show that our SemFlow achieves competitive results on semantic segmentation and semantic image synthesis tasks. We hope this simple framework will motivate people to rethink the unification of low-level and high-level vision.
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Question answering, asking, and assessment are three innate human traits crucial for understanding the world and acquiring knowledge. By enhancing these capabilities, humans can more effectively utilize data, leading to better comprehension and learning outcomes. However, current Multimodal Large Language Models (MLLMs) primarily focus on question answering, often neglecting the full potential of questioning and assessment skills. In this study, we introduce LOVA3, an innovative framework named ``Learning tO Visual Question Answering, Asking and Assessment,'' designed to equip MLLMs with these additional capabilities. Our approach involves the creation of two supplementary training tasks GenQA and EvalQA, aiming at fostering the skills of asking and assessing questions in the context of images. To develop the questioning ability, we compile a comprehensive set of multimodal foundational tasks. For assessment, we introduce a new benchmark called EvalQABench, comprising 64,000 training samples (split evenly between positive and negative samples) and 5,000 testing samples. We posit that enhancing MLLMs with the capabilities to answer, ask, and assess questions will enhance their multimodal comprehension, ultimately improving overall performance. To validate this hypothesis, we train MLLMs using the LOVA3 framework and evaluate them on a range of multimodal datasets and benchmarks. Our results demonstrate consistent performance gains, underscoring the critical role of these additional tasks in fostering comprehensive intelligence in MLLMs.
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Precision matrix estimation is a ubiquitous task featuring numerous applications such as rare disease diagnosis and neural connectivity exploration. However, this task becomes challenging in small sample settings, where the number of samples is significantly less than the number of dimensions, leading to unreliable estimates. Previous approaches either fail to perform well in small sample settings or suffer from inefficient estimation processes, even when incorporating meta-learning techniques. To this end, we propose a novel approach FasMe for Fast and Sample-efficient Meta Precision Matrix Learning, which first extracts meta-knowledge through a multi-task learning diagram. Then, meta-knowledge constraints are applied using a maximum determinant matrix completion algorithm for the novel task. As a result, we reduce the sample size requirements to $O(\log p/K)$ per meta-training task and $O(\log\vert \mathcal{G}\vert)$ for the meta-testing task. Moreover, the hereby proposed model only needs $O(p \log\epsilon^{-1})$ time and $O(p)$ memory for converging to an $\epsilon$-accurate solution. On multiple synthetic and biomedical datasets, FasMe is at least ten times faster than the four baselines while promoting prediction accuracy in small sample settings.
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This paper introduces xRAG, an innovative context compression method tailored for retrieval-augmented generation. xRAG reinterprets document embeddings in dense retrieval--traditionally used solely for retrieval--as features from the retrieval modality. By employing a modality fusion methodology, xRAG seamlessly integrates these embeddings into the language model representation space, effectively eliminating the need for their textual counterparts and achieving an extreme compression rate. In xRAG, the only trainable component is the modality bridge, while both the retriever and the language model remain frozen. This design choice allows for the reuse of offline-constructed document embeddings and preserves the plug-and-play nature of retrieval augmentation. Experimental results demonstrate that xRAG achieves an average improvement of over 10% across six knowledge-intensive tasks, adaptable to various language model backbones, ranging from a dense 7B model to an 8x7B Mixture of Experts configuration. xRAG not only significantly outperforms previous context compression methods but also matches the performance of uncompressed models on several datasets, while reducing overall FLOPs by a factor of 3.53. Our work pioneers new directions in retrieval-augmented generation from the perspective of multimodality fusion, and we hope it lays the foundation for future efficient and scalable retrieval-augmented systems.
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Machine learning craves high-quality data which is a major bottleneck during realistic deployment, as it takes abundant resources and massive human labor to collect and label data. Unfortunately, label noise where image data mismatches with incorrect label exists ubiquitously in all kinds of datasets, significantly degrading the learning performance of deep networks. Learning with Label Noise (LNL) has been a common strategy for mitigating the influence of noisy labels. However, existing LNL methods either require pertaining using the memorization effect to separate clean data from noisy ones or rely on dataset assumptions that cannot extend to various scenarios. Thanks to the development of Multimodal Large Language Models (MLLMs) which possess massive knowledge and hold In-Context Learning (ICL) ability, this paper proposes NoiseGPT to effectively leverage MLLMs as a knowledge expert for conducting label noise detection and rectification. Specifically, we observe a \textit{probability curvature} effect of MLLMs where clean and noisy examples reside on curvatures with different smoothness, further enabling the detection of label noise. By designing a token-wise Mix-of-Feature (MoF) technique to produce the curvature, we propose an In-Context Discrepancy (ICD) measure to determine the authenticity of an image-label pair. Subsequently, we repeat such a process to find the best matching pairs to complete our label rectification. Through extensive experiments, we carefully demonstrate the effectiveness of NoiseGPT on detecting and cleansing dataset noise, especially on ILSVRC12, the AUROC of NoiseGPT reached over 0.92. And by integrating with existing methods, the classification performance can be significantly improved on noisy datasets, typically by 22.8\% on 80\% symmetric CIFAR-10 with M-correction. Source code: \url{https://github.com/drunkerWang/NoiseGPT}
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Despite alleviating the dependence on dense annotations inherent to fully supervised methods, weakly supervised point cloud semantic segmentation suffers from inadequate supervision signals. In response to this challenge, we introduce a novel perspective that imparts auxiliary constraints by regulating the feature space under weak supervision. Our initial investigation identifies which distributions accurately characterize the feature space, subsequently leveraging this priori to guide the alignment of the weakly supervised embeddings. Specifically, we analyze the superiority of the mixture of von Mises-Fisher distributions (moVMF) among several common distribution candidates. Accordingly, we develop a Distribution Guidance Network (DGNet), which comprises a weakly supervised learning branch and a distribution alignment branch. Leveraging reliable clustering initialization derived from the weakly supervised learning branch, the distribution alignment branch alternately updates the parameters of the moVMF and the network, ensuring alignment with the moVMF-defined latent space. Extensive experiments validate the rationality and effectiveness of our distribution choice and network design. Consequently, DGNet achieves state-of-the-art performance under multiple datasets and various weakly supervised settings.
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We propose a neural network weight encoding method for network property prediction that utilizes set-to-set and set-to-vector functions to efficiently encode neural network parameters. Our approach is capable of encoding neural networks in a model zoo of mixed architecture and different parameter sizes as opposed to previous approaches that require custom encoding models for different architectures. Furthermore, our \textbf{S}et-based \textbf{N}eural network \textbf{E}ncoder (SNE) takes into consideration the hierarchical computational structure of neural networks. To respect symmetries inherent in network weight space, we utilize Logit Invariance to learn the required minimal invariance properties. Additionally, we introduce a \textit{pad-chunk-encode} pipeline to efficiently encode neural network layers that is adjustable to computational and memory constraints. We also introduce two new tasks for neural network property prediction: cross-dataset and cross-architecture. In cross-dataset property prediction, we evaluate how well property predictors generalize across model zoos trained on different datasets but of the same architecture. In cross-architecture property prediction, we evaluate how well property predictors transfer to model zoos of different architecture not seen during training. We show that SNE outperforms the relevant baselines on standard benchmarks.
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Large-scale vision-language models like CLIP have demonstrated impressive open-vocabulary capabilities for image-level tasks, excelling in recognizing what objects are present. However, they struggle with pixel-level recognition tasks like semantic segmentation, which require understanding where the objects are located. In this work, we propose a novel method, PixelCLIP, to adapt the CLIP image encoder for pixel-level understanding by guiding the model on where, which is achieved using unlabeled images and masks generated from vision foundation models such as SAM and DINO. To address the challenges of leveraging masks without semantic labels, we devise an online clustering algorithm using learnable class names to acquire general semantic concepts. PixelCLIP shows significant performance improvements over CLIP and competitive results compared to caption-supervised methods in open-vocabulary semantic segmentation.
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Current universal segmentation methods demonstrate strong capabilities in pixel-level image and video understanding. However, they lack reasoning abilities and cannot be controlled via text instructions. In contrast, large vision-language multimodal models exhibit powerful vision-based conversation and reasoning capabilities but lack pixel-level understanding and have difficulty accepting visual prompts for flexible user interaction. This paper proposes OMG-LLaVA, a new and elegant framework combining powerful pixel-level vision understanding with reasoning abilities. It can accept various visual and text prompts for flexible user interaction. Specifically, we use a universal segmentation method as the visual encoder, integrating image information, perception priors, and visual prompts into visual tokens provided to the LLM. The LLM is responsible for understanding the user's text instructions and providing text responses and pixel-level segmentation results based on the visual information. We propose perception prior embedding to better integrate perception priors with image features. OMG-LLaVA achieves image-level, object-level, and pixel-level reasoning and understanding in a single model, matching or surpassing the performance of specialized methods on multiple benchmarks. Rather than using LLM to connect each specialist, our work aims at end-to-end training on one encoder, one decoder, and one LLM. The code and model have been released for further research.
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Dataset condensation (DC) is an emerging technique capable of creating compact synthetic datasets from large originals while maintaining considerable performance. It is crucial for accelerating network training and reducing data storage requirements. However, current research on DC mainly focuses on image classification, with less exploration of object detection. This is primarily due to two challenges: (i) the multitasking nature of object detection complicates the condensation process, and (ii) Object detection datasets are characterized by large-scale and high-resolution data, which are difficult for existing DC methods to handle. As a remedy, we propose DCOD, the first dataset condensation framework for object detection. It operates in two stages: Fetch and Forge, initially storing key localization and classification information into model parameters, and then reconstructing synthetic images via model inversion. For the complex of multiple objects in an image, we propose Foreground Background Decoupling to centrally update the foreground of multiple instances and Incremental PatchExpand to further enhance the diversity of foregrounds. Extensive experiments on various detection datasets demonstrate the superiority of DCOD. Even at an extremely low compression rate of 1\%, we achieve 46.4\% and 24.7\% $\text{AP}_{50}$ on the VOC and COCO, respectively, significantly reducing detector training duration.
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The heterogeneity issue in federated learning (FL) has attracted increasing attention, which is attempted to be addressed by most existing methods. Currently, due to systems and objectives heterogeneity, enabling clients to hold models of different architectures and tasks of different demands has become an important direction in FL. Most existing FL methods are based on the homogeneity assumption, namely, different clients have the same architectural models with the same tasks, which are unable to handle complex and multivariate data and tasks. To flexibly address these heterogeneity limitations, we propose a novel federated multi-task learning framework with the help of tensor trace norm, FedSAK. Specifically, it treats each client as a task and splits the local model into a feature extractor and a prediction head. Clients can flexibly choose shared structures based on heterogeneous situations and upload them to the server, which learns correlations among client models by mining model low-rank structures through tensor trace norm. Furthermore, we derive convergence and generalization bounds under non-convex settings. Evaluated on 6 real-world datasets compared to 13 advanced FL models, FedSAK demonstrates superior performance.
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Model-based unsupervised reinforcement learning (URL) has gained prominence for reducing environment interactions and learning general skills using intrinsic rewards. However, distractors in observations can severely affect intrinsic reward estimation, leading to a biased exploration process, especially in environments with visual inputs like images or videos. To address this challenge, we propose a bi-level optimization framework named Separation-assisted eXplorer (SeeX). In the inner optimization, SeeX trains a separated world model to extract exogenous and endogenous information, minimizing uncertainty to ensure task relevance. In the outer optimization, it learns a policy on imaginary trajectories generated within the endogenous state space to maximize task-relevant uncertainty. Evaluations on multiple locomotion and manipulation tasks demonstrate SeeX's effectiveness.
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The proliferation of abundant electricity time series (ETS) data presents numerous opportunities for various applications within power systems, including demand-side management, grid stability, and consumer behavior analysis. Deep learning models have advanced ETS modeling by effectively capturing sequence dependence. However, learning a generic representation of ETS data for various applications is challenging due to the inherently complex hierarchical structure of ETS data. Moreover, ETS data exhibits intricate temporal dependencies and is susceptible to the influence of exogenous variables. Furthermore, different instances exhibit diverse electricity consumption behavior. In this paper, we propose a foundation model PowerPM for ETS data, providing a large-scale, off-the-shelf model for power systems. PowerPM consists of a temporal encoder and a hierarchical encoder. The temporal encoder captures temporal dependencies within ETS data, taking into account exogenous variables. The hierarchical encoder models correlations between different levels of hierarchy. Furthermore, PowerPM leverages a novel self-supervised pre-training framework consisting of masked ETS modeling and dual-view contrastive learning. This framework enables PowerPM to capture temporal dependency within ETS windows and aware the discrepancy across ETS windows, providing two different perspectives to learn generic representation. Our experiments span five real-world scenario datasets, including both private and public data. Through pre-training on massive ETS data, PowerPM achieves SOTA performance on diverse downstream tasks within the private dataset. Notably, when transferred to public datasets, PowerPM retains its edge, showcasing its remarkable generalization ability across various tasks and domains. Moreover, ablation studies and few-shot experiments further substantiate the effectiveness of our model.
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In multi-agent reinforcement learning (MARL), parameter sharing is commonly employed to enhance sample efficiency. However, the popular approach of full parameter sharing often leads to homogeneous policies among agents, potentially limiting the performance benefits that could be derived from policy diversity. To address this critical limitation, we introduce \emph{Kaleidoscope}, a novel adaptive partial parameter sharing scheme that fosters policy heterogeneity while still maintaining high sample efficiency. Specifically, Kaleidoscope maintains one set of common parameters alongside multiple sets of distinct, learnable masks for different agents, dictating the sharing of parameters. It promotes diversity among policy networks by encouraging discrepancy among these masks, without sacrificing the efficiencies of parameter sharing. This design allows Kaleidoscope to dynamically balance high sample efficiency with a broad policy representational capacity, effectively bridging the gap between full parameter sharing and non-parameter sharing across various environments. We further extend Kaleidoscope to critic ensembles in the context of actor-critic algorithms, which could help improve value estimations. Our empirical evaluations across extensive environments, including multi-agent particle environment, multi-agent MuJoCo and StarCraft multi-agent challenge v2, demonstrate the superior performance of Kaleidoscope compared with existing parameter sharing approaches, showcasing its potential for performance enhancement in MARL. The code is publicly available at \url{https://github.com/LXXXXR/Kaleidoscope}.
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Meta-learning offers a promising avenue for few-shot learning (FSL), enabling models to glean a generalizable feature embedding through episodic training on synthetic FSL tasks in a source domain. Yet, in practical scenarios where the target task diverges from that in the source domain, meta-learning based method is susceptible to over-fitting. To overcome this, we introduce a novel framework, Meta-Exploiting Frequency Prior for Cross-Domain Few-Shot Learning, which is crafted to comprehensively exploit the cross-domain transferable image prior that each image can be decomposed into complementary low-frequency content details and high-frequency robust structural characteristics. Motivated by this insight, we propose to decompose each query image into its high-frequency and low-frequency components, and parallel incorporate them into the feature embedding network to enhance the final category prediction. More importantly, we introduce a feature reconstruction prior and a prediction consistency prior to separately encourage the consistency of the intermediate feature as well as the final category prediction between the original query image and its decomposed frequency components. This allows for collectively guiding the network's meta-learning process with the aim of learning generalizable image feature embeddings, while not introducing any extra computational cost in the inference phase. Our framework establishes new state-of-the-art results on multiple cross-domain few-shot learning benchmarks.
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Video diffusion models are able to generate high-quality videos by learning strong spatial-temporal priors on large-scale datasets. In this paper, we aim to investigate whether such priors derived from a generative process are suitable for video recognition, and eventually joint optimization of generation and recognition. Building upon Stable Video Diffusion, we introduce GenRec, the first unified framework trained with a random-frame conditioning process so as to learn generalized spatial-temporal representations. The resulting framework can naturally supports generation and recognition, and more importantly is robust even when visual inputs contain limited information. Extensive experiments demonstrate the efficacy of GenRec for both recognition and generation. In particular, GenRec achieves competitive recognition performance, offering 75.8% and 87.2% accuracy on SSV2 and K400, respectively. GenRec also performs the best on class-conditioned image-to-video generation, achieving 46.5 and 49.3 FVD scores on SSV2 and EK-100 datasets. Furthermore, GenRec demonstrates extraordinary robustness in scenarios that only limited frames can be observed. Code will be available at https://github.com/wengzejia1/GenRec.
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Efficiently aggregating trained neural networks from local clients into a global model on a server is a widely researched topic in federated learning. Recently, motivated by diminishing privacy concerns, mitigating potential attacks, and reducing communication overhead, one-shot federated learning (i.e., limiting client-server communication into a single round) has gained popularity among researchers. However, the one-shot aggregation performances are sensitively affected by the non-identical training data distribution, which exhibits high statistical heterogeneity in some real-world scenarios. To address this issue, we propose a novel one-shot aggregation method with layer-wise posterior aggregation, named FedLPA. FedLPA aggregates local models to obtain a more accurate global model without requiring extra auxiliary datasets or exposing any private label information, e.g., label distributions. To effectively capture the statistics maintained in the biased local datasets in the practical non-IID scenario, we efficiently infer the posteriors of each layer in each local model using layer-wise Laplace approximation and aggregate them to train the global parameters. Extensive experimental results demonstrate that FedLPA significantly improves learning performance over state-of-the-art methods across several metrics.
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Stereo matching algorithms that leverage end-to-end convolutional neural networks have recently demonstrated notable advancements in performance. However, a common issue is their susceptibility to domain shifts, hindering their ability in generalizing to diverse, unseen realistic domains. We argue that existing stereo matching networks overlook the importance of extracting semantically and structurally meaningful features. To address this gap, we propose an effective hierarchical object-aware dual-level contrastive learning (HODC) framework for domain generalized stereo matching. Our framework guides the model in extracting features that support semantically and structurally driven matching by segmenting objects at different scales and enhances correspondence between intra- and inter-scale regions from the left feature map to the right using dual-level contrastive loss. HODC can be integrated with existing stereo matching models in the training stage, requiring no modifications to the architecture. Remarkably, using only synthetic datasets for training, HODC achieves state-of-the-art generalization performance with various existing stereo matching network architectures, across multiple realistic datasets.
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Molecule generation ideally in its 3-D form has enjoyed wide applications in material, chemistry, life science, etc. We propose the first quantum parametric circuit for 3-D molecule generation for its potential quantum advantage especially considering the arrival of Noisy Intermediate-Scale Quantum (NISQ) era. We choose the Variational AutoEncoder (VAE) scheme for its simplicity and one-shot generation ability, which we believe is more quantum-friendly compared with the auto-regressive generative models or diffusion models as used in classic approaches. Specifically, we present a quantum encoding scheme designed for 3-D molecules with qubits complexity $\mathcal{O}(C\log n)$ ($n$ is the number of atoms) and adopt a von Mises-Fisher (vMF) distributed latent space to meet the inherent coherence of the quantum system. We further design to encode conditions into quantum circuits for property-specified generation. Experimentally, our model could generate plausible 3-D molecules and achieve competitive quantitative performance with significantly reduced circuit parameters compared with their classic counterparts. The source code will be released upon publication.
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Automated seizure detection (ASD) using intracranial electroencephalography (iEEG) is critical for effective epilepsy treatment. However, the significant domain shift of iEEG signals across subjects poses a major challenge, limiting their applicability in real-world clinical scenarios. In this paper, we address this issue by analyzing the primary cause behind the failure of existing iEEG models for subject-independent seizure detection, and identify a critical universal seizure pattern: seizure events consistently exhibit higher average amplitude compared to adjacent normal events. To mitigate the domain shifts and preserve the universal seizure patterns, we propose a novel self-comparison mechanism. This mechanism effectively aligns iEEG signals across subjects and time intervals. Building upon these findings, we propose Difference Matrix-based Neural Network (DMNet), a subject-independent seizure detection model, which leverages self-comparison based on two constructed (contextual, channel-level) references to mitigate shifts of iEEG, and utilize a simple yet effective difference matrix to encode the universal seizure patterns. Extensive experiments show that DMNet significantly outperforms previous SOTAs while maintaining high efficiency on a real-world clinical dataset collected by us and two public datasets for subject-independent seizure detection. Moreover, the visualization results demonstrate that the generated difference matrix can effectively capture the seizure activity changes during the seizure evolution process. Additionally, we deploy our method in an online diagnosis system to illustrate its effectiveness in real clinical applications.
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Spatio-temporal (ST) prediction has garnered a De facto attention in earth sciences, such as meteorological prediction, human mobility perception. However, the scarcity of data coupled with the high expenses involved in sensor deployment results in notable data imbalances. Furthermore, models that are excessively customized and devoid of causal connections further undermine the generalizability and interpretability. To this end, we establish a causal framework for ST predictions, termed CaPaint, which targets to identify causal regions in data and endow model with causal reasoning ability in a two-stage process. Going beyond this process, we utilize the back-door adjustment to specifically address the sub-regions identified as non-causal in the upstream phase. Specifically, we employ a novel image inpainting technique. By using a fine-tuned unconditional Diffusion Probabilistic Model (DDPM) as the generative prior, we in-fill the masks defined as environmental parts, offering the possibility of reliable extrapolation for potential data distributions. CaPaint overcomes the high complexity dilemma of optimal ST causal discovery models by reducing the data generation complexity from exponential to quasi-linear levels. Extensive experiments conducted on five real-world ST benchmarks demonstrate that integrating the CaPaint concept allows models to achieve improvements ranging from 4.3% to 77.3%. Moreover, compared to traditional mainstream ST augmenters, CaPaint underscores the potential of diffusion models in ST enhancement, offering a novel paradigm for this field. Our project is available at https://anonymous.4open.science/r/12345-DFCC.
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3D particle tracking velocimetry (PTV) is a key technique for analyzing turbulent flow, one of the most challenging computational problems of our century. At the core of 3D PTV is the dual-frame fluid motion estimation algorithm, which tracks particles across two consecutive frames. Recently, deep learning-based methods have achieved impressive accuracy in dual-frame fluid motion estimation; however, they heavily depend on large volumes of labeled data. In this paper, we introduce a new method that is **completely self-supervised and notably outperforms its fully-supervised counterparts while requiring only 1\% of the training samples (without labels) used by previous methods.** Our method features a novel zero-divergence loss that is specific to the domain of turbulent flow. Inspired by the success of splat operation in high-dimensional filtering and random fields, we propose a splat-based implementation for this loss which is both efficient and effective. The self-supervised nature of our method naturally supports test-time optimization, leading to the development of a tailored Dynamic Velocimetry Enhancer (DVE) module. We demonstrate that strong cross-domain robustness is achieved through test-time optimization on unseen leave-one-out synthetic domains and real physical/biological domains. Code, data and models are available at [https://github.com/Forrest-110/FluidMotionNet](https://github.com/Forrest-110/FluidMotionNet).
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This study proves the two-phase dynamics of a deep neural network (DNN) learning interactions. Despite the long disappointing view of the faithfulness of post-hoc explanation of a DNN, a series of theorems have been proven [27] in recent years to show that for a given input sample, a small set of interactions between input variables can be considered as primitive inference patterns that faithfully represent a DNN's detailed inference logic on that sample. Particularly, Zhang et al. [41] have observed that various DNNs all learn interactions of different complexities in two distinct phases, and this two-phase dynamics well explains how a DNN changes from under-fitting to over-fitting. Therefore, in this study, we mathematically prove the two-phase dynamics of interactions, providing a theoretical mechanism for how the generalization power of a DNN changes during the training process. Experiments show that our theory well predicts the real dynamics of interactions on different DNNs trained for various tasks.
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Constrained by the separate encoding of vision and language, existing grounding and referring segmentation works heavily rely on bulky Transformer-based fusion en-/decoders and a variety of early-stage interaction technologies. Simultaneously, the current mask visual language modeling (MVLM) fails to capture the nuanced referential relationship between image-text in referring tasks. In this paper, we propose **OneRef**, a minimalist referring framework built on the modality-shared one-tower transformer that unifies the visual and linguistic feature spaces. To modeling the referential relationship, we introduce a novel MVLM paradigm called Mask Referring Modeling (**MRefM**), which encompasses both referring-aware mask image modeling and referring-aware mask language modeling. Both modules not only reconstruct modality-related content but also cross-modal referring content. Within MRefM, we propose a referring-aware dynamic image masking strategy that is aware of the referred region rather than relying on fixed ratios or generic random masking schemes. By leveraging the unified visual language feature space and incorporating MRefM's ability to model the referential relations, our approach enables direct regression of the referring results without resorting to various complex techniques. Our method consistently surpasses existing approaches and achieves SoTA performance on both grounding and segmentation tasks, providing valuable insights for future research. Our code and models are available at https://github.com/linhuixiao/OneRef.
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Graph Anomaly Detection (GAD) aims to identify uncommon, deviated, or suspicious objects within graph-structured data. Existing methods generally focus on a single graph object type (node, edge, graph, etc.) and often overlook the inherent connections among different object types of graph anomalies. For instance, a money laundering transaction might involve an abnormal account and the broader community it interacts with. To address this, we present UniGAD, the first unified framework for detecting anomalies at node, edge, and graph levels jointly. Specifically, we develop the Maximum Rayleigh Quotient Subgraph Sampler (MRQSampler) that unifies multi-level formats by transferring objects at each level into graph-level tasks on subgraphs. We theoretically prove that MRQSampler maximizes the accumulated spectral energy of subgraphs (i.e., the Rayleigh quotient) to preserve the most significant anomaly information. To further unify multi-level training, we introduce a novel GraphStitch Network to integrate information across different levels, adjust the amount of sharing required at each level, and harmonize conflicting training goals. Comprehensive experiments show that UniGAD outperforms both existing GAD methods specialized for a single task and graph prompt-based approaches for multiple tasks, while also providing robust zero-shot task transferability.
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In the rapidly evolving field of deep learning, the demand for models that are both expressive and computationally efficient has never been more critical. This paper introduces Orchid, a novel architecture designed to address the quadratic complexity of traditional attention mechanisms without compromising the ability to capture long-range dependencies and in-context learning. At the core of this architecture lies a new data-dependent global convolution layer, which contextually adapts its kernel conditioned on input sequence using a dedicated conditioning neural network. We design two simple conditioning networks that maintain shift equivariance in our data-dependent convolution operation. The dynamic nature of the proposed convolution kernel grants Orchid high expressivity while maintaining quasilinear scalability for long sequences. We evaluate the proposed model across multiple domains, including language modeling and image classification, to highlight its performance and generality. Our experiments demonstrate that this architecture not only outperforms traditional attention-based architectures such as BERT and Vision Transformers with smaller model sizes, but also extends the feasible sequence length beyond the limitations of the dense attention layers. This achievement represents a significant step towards more efficient and scalable deep learning models for sequence modeling.
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Boosting is an extremely successful idea, allowing one to combine multiple low accuracy classifiers into a much more accurate voting classifier. In this work, we present a new and surprisingly simple Boosting algorithm that obtains a provably optimal sample complexity. Sample optimal Boosting algorithms have only recently been developed, and our new algorithm has the fastest runtime among all such algorithms and is the simplest to describe: Partition your training data into 5 disjoint pieces of equal size, run AdaBoost on each, and combine the resulting classifiers via a majority vote. In addition to this theoretical contribution, we also perform the first empirical comparison of the proposed sample optimal Boosting algorithms. Our pilot empirical study suggests that our new algorithm might outperform previous algorithms on large data sets.
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Pre-trained large language models based on Transformers have demonstrated remarkable in-context learning (ICL) abilities. With just a few demonstration examples, the models can implement new tasks without any parameter updates. However, it is still an open question to understand the mechanism of ICL. In this paper, we attempt to explore the ICL process in Transformers through a lens of representation learning. Initially, leveraging kernel methods, we figure out a dual model for one softmax attention layer. The ICL inference process of the attention layer aligns with the training procedure of its dual model, generating token representation predictions that are equivalent to the dual model's test outputs. We delve into the training process of this dual model from a representation learning standpoint and further derive a generalization error bound related to the quantity of demonstration tokens. Subsequently, we extend our theoretical conclusions to more complicated scenarios, including one Transformer layer and multiple attention layers. Furthermore, drawing inspiration from existing representation learning methods especially contrastive learning, we propose potential modifications for the attention layer. Finally, experiments are designed to support our findings.
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Recent advancements in generative models have significantly enhanced their capacity for image generation, enabling a wide range of applications such as image editing, completion and video editing. A specialized area within generative modeling is layout-to-image (L2I) generation, where predefined layouts of objects guide the generative process. In this study, we introduce a novel regional cross-attention module tailored to enrich layout-to-image generation. This module notably improves the representation of layout regions, particularly in scenarios where existing methods struggle with highly complex and detailed textual descriptions. Moreover, while current open-vocabulary L2I methods are trained in an open-set setting, their evaluations often occur in closed-set environments. To bridge this gap, we propose two metrics to assess L2I performance in open-vocabulary scenarios. Additionally, we conduct a comprehensive user study to validate the consistency of these metrics with human preferences.
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In the era of large language models, model merging is a promising way to combine multiple task-specific models into a single multitask model without extra training. However, two challenges remain: (a) interference between different models and (b) heterogeneous data during testing. Traditional model merging methods often show significant performance gaps compared to fine-tuned models due to these issues. Additionally, a one-size-fits-all model lacks flexibility for diverse test data, leading to performance degradation. We show that both shared and exclusive task-specific knowledge are crucial for merging performance, but directly merging exclusive knowledge hinders overall performance. In view of this, we propose Twin-Merging, a method that encompasses two principal stages: (1) modularizing knowledge into shared and exclusive components, with compression to reduce redundancy and enhance efficiency; (2) dynamically merging shared and task-specific knowledge based on the input. This approach narrows the performance gap between merged and fine-tuned models and improves adaptability to heterogeneous data. Extensive experiments on $20$ datasets for both language and vision tasks demonstrate the effectiveness of our method, showing an average improvement of $28.34\%$ in absolute normalized score for discriminative tasks and even surpassing the fine-tuned upper bound on the generative tasks.
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Efficient fine-tuning of large language models for task-specific applications is imperative, yet the vast number of parameters in these models makes their training increasingly challenging. Despite numerous proposals for effective methods, a substantial memory overhead remains for gradient computations during updates. \thm{Can we fine-tune a series of task-specific small models and transfer their knowledge directly to a much larger model without additional training?} In this paper, we explore weak-to-strong specialization using logit arithmetic, facilitating a direct answer to this question. Existing weak-to-strong methods often employ a static knowledge transfer ratio and a single small model for transferring complex knowledge, which leads to suboptimal performance. To surmount these limitations, we propose a dynamic logit fusion approach that works with a series of task-specific small models, each specialized in a different task. This method adaptively allocates weights among these models at each decoding step, learning the weights through Kullback-Leibler divergence constrained optimization problems. We conduct extensive experiments across various benchmarks in both single-task and multi-task settings, achieving leading results. By transferring expertise from the 7B model to the 13B model, our method closes the performance gap by 96.4\% in single-task scenarios and by 86.3\% in multi-task scenarios compared to full fine-tuning of the 13B model. Notably, we achieve surpassing performance on unseen tasks. Moreover, we further demonstrate that our method can effortlessly integrate in-context learning for single tasks and task arithmetic for multi-task scenarios.
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Large language models (LLMs) and vision-language models (VLMs) have demonstrated remarkable performance across a wide range of tasks and domains. Despite this promise, spatial understanding and reasoning—a fundamental component of human cognition—remains under-explored. We propose SpatialEval, a novel benchmark that covers diverse aspects of spatial reasoning such as relationship understanding, navigation, and counting. We conduct a comprehensive evaluation of competitive language and vision-language models. Our findings reveal several counter-intuitive insights that have been overlooked in the literature: (1) Spatial reasoning poses significant challenges where competitive models can fall behind random guessing; (2) Despite additional visual input, VLMs often under-perform compared to their LLM counterparts; (3) When both textual and visual information is available, multi-modal language models become less reliant on visual information if sufficient textual clues are provided. Additionally, we demonstrate that leveraging redundancy between vision and text can significantly enhance model performance. We hope our study will inform the development of multimodal models to improve spatial intelligence and further close the gap with human intelligence. Our code is available at https://github.com/jiayuww/SpatialEval.
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Deep Equilibrium Model (DEQ), which serves as a typical implicit neural network, emphasizes their memory efficiency and competitive performance compared to explicit neural networks. However, there has been relatively limited theoretical analysis on the representation of DEQ. In this paper, we utilize the Neural Collapse ($\mathcal{NC}$) as a tool to systematically analyze the representation of DEQ under both balanced and imbalanced conditions. $\mathcal{NC}$ is an interesting phenomenon in the neural network training process that characterizes the geometry of class features and classifier weights. While extensively studied in traditional explicit neural networks, the $\mathcal{NC}$ phenomenon has not received substantial attention in the context of implicit neural networks. We theoretically show that $\mathcal{NC}$ exists in DEQ under balanced conditions. Moreover, in imbalanced settings, despite the presence of minority collapse, DEQ demonstrated advantages over explicit neural networks. These advantages include the convergence of extracted features to the vertices of a simplex equiangular tight frame and self-duality properties under mild conditions, highlighting DEQ's superiority in handling imbalanced datasets. Finally, we validate our theoretical analyses through experiments in both balanced and imbalanced scenarios.
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Large Language Models (LLMs) are being used for a wide variety of tasks. While they are capable of generating human-like responses, they can also produce undesirable output including potentially harmful information, racist or sexist language, and hallucinations. Alignment methods are designed to reduce such undesirable output, via techniques such as fine-tuning, prompt engineering, and representation engineering. However, existing methods face several challenges: some require costly fine-tuning for every alignment task; some do not adequately remove undesirable concepts, failing alignment; some remove benign concepts, lowering the linguistic capabilities of LLMs. To address these issues, we propose Parsimonious Concept Engineering (PaCE), a novel activation engineering framework for alignment. First, to sufficiently model the concepts, we construct a large-scale concept dictionary in the activation space, in which each atom corresponds to a semantic concept. Given any alignment task, we instruct a concept partitioner to efficiently annotate the concepts as benign or undesirable. Then, at inference time, we decompose the LLM activations along the concept dictionary via sparse coding, to accurately represent the activations as linear combinations of benign and undesirable components. By removing the latter ones from the activations, we reorient the behavior of the LLM towards the alignment goal. We conduct experiments on tasks such as response detoxification, faithfulness enhancement, and sentiment revising, and show that PaCE achieves state-of-the-art alignment performance while maintaining linguistic capabilities.
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Large language models (LLMs) have shown increasing capability in problem-solving and decision-making, largely based on the step-by-step chain-of-thought reasoning processes. However, evaluating these reasoning abilities has become increasingly challenging. Existing outcome-based benchmarks are beginning to saturate, becoming less effective in tracking meaningful progress. To address this, we present a process-based benchmark MR-Ben that demands a meta-reasoning skill, where LMs are asked to locate and analyse potential errors in automatically generated reasoning steps. Our meta-reasoning paradigm is especially suited for system-2 slow thinking, mirroring the human cognitive process of carefully examining assumptions, conditions, calculations, and logic to identify mistakes. MR-Ben comprises 5,975 questions curated by human experts across a wide range of subjects, including physics, chemistry, logic, coding, and more. Through our designed metrics for assessing meta-reasoning on this benchmark, we identify interesting limitations and weaknesses of current LLMs (open-source and closed-source models). For example, with models like the o1 series from OpenAI demonstrating strong performance by effectively scrutinizing the solution space, many other state-of-the-art models fall significantly behind on MR-Ben, exposing potential shortcomings in their training strategies and inference methodologies.
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Recovering the foreground color and opacity/alpha matte from a single image (i.e., image matting) is a challenging and ill-posed problem where data priors play a critical role in achieving precise results. Traditional methods generally predict the alpha matte and then extract the foreground through post-processing, often failing to produce high-fidelity foreground color. This failure stems from the models' difficulty in learning robust color predictions from limited matting datasets. To address this, we explore the potential of leveraging vision priors embedded in pre-trained latent diffusion models (LDM) for estimating foreground RGBA values in challenging scenarios and rare objects. We introduce Drip, a novel approach for image matting that harnesses the rich prior knowledge of LDM models. Our method incorporates a switcher and a cross-domain attention mechanism to extend the original LDM for joint prediction of the foreground color and opacity. This setup facilitates mutual information exchange and ensures high consistency across both modalities. To mitigate the inherent reconstruction errors of the LDM's VAE decoder, we propose a latent transparency decoder to align the RGBA prediction with the input image, thereby reducing discrepancies. Comprehensive experimental results demonstrate that our approach achieves state-of-the-art performance in foreground and alpha predictions and shows remarkable generalizability across various benchmarks.
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The advancement of Machine Learning has enabled the widespread deployment of Machine Learning as a Service (MLaaS) applications. However, the untrustworthy nature of third-party ML services poses backdoor threats. Existing defenses in MLaaS are limited by their reliance on training samples or white-box model analysis, highlighting the need for a black-box backdoor purification method. In our paper, we attempt to use diffusion models for purification by introducing noise in a forward diffusion process to destroy backdoors and recover clean samples through a reverse generative process. However, since a higher noise also destroys the semantics of the original samples, it still results in a low restoration performance. To investigate the effectiveness of noise in eliminating different types of backdoors, we conducted a preliminary study, which demonstrates that backdoors with low visibility can be easily destroyed by lightweight noise and those with high visibility need to be destroyed by high noise but can be easily detected. Based on the study, we propose SampDetox, which strategically combines lightweight and high noise. SampDetox applies weak noise to eliminate low-visibility backdoors and compares the structural similarity between the recovered and original samples to localize high-visibility backdoors. Intensive noise is then applied to these localized areas, destroying the high-visibility backdoors while preserving global semantic information. As a result, detoxified samples can be used for inference, even by poisoned models. Comprehensive experiments demonstrate the effectiveness of SampDetox in defending against various state-of-the-art backdoor attacks.
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Most existing prompting methods suffer from the issues of generalizability and consistency, as they often rely on instance-specific solutions that may not be applicable to other instances and lack task-level consistency across the selected few-shot examples. To address these limitations, we propose a comprehensive framework, StrategyLLM, allowing LLMs to perform inductive reasoning, deriving general strategies from specific task instances, and deductive reasoning, applying these general strategies to particular task examples, for constructing generalizable and consistent few-shot prompts. It employs four LLM-based agents: strategy generator, executor, optimizer, and evaluator, working together to generate, evaluate, and select promising strategies for a given task. Experimental results demonstrate that StrategyLLM outperforms the competitive baseline CoT-SC that requires human-annotated solutions on 13 datasets across 4 challenging tasks without human involvement, including math reasoning (34.2\% $\rightarrow$ 38.8\%), commonsense reasoning (70.3\% $\rightarrow$ 72.5\%), algorithmic reasoning (73.7\% $\rightarrow$ 85.0\%), and symbolic reasoning (30.0\% $\rightarrow$ 79.2\%). Further analysis reveals that StrategyLLM is applicable to various LLMs and demonstrates advantages across numerous scenarios.
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In this paper, we study an object synthesis task that combines an object text with an object image to create a new object image. However, most diffusion models struggle with this task, \textit{i.e.}, often generating an object that predominantly reflects either the text or the image due to an imbalance between their inputs. To address this issue, we propose a simple yet effective method called Adaptive Text-Image Harmony (ATIH) to generate novel and surprising objects. First, we introduce a scale factor and an injection step to balance text and image features in cross-attention and to preserve image information in self-attention during the text-image inversion diffusion process, respectively. Second, to better integrate object text and image, we design a balanced loss function with a noise parameter, ensuring both optimal editability and fidelity of the object image. Third, to adaptively adjust these parameters, we present a novel similarity score function that not only maximizes the similarities between the generated object image and the input text/image but also balances these similarities to harmonize text and image integration. Extensive experiments demonstrate the effectiveness of our approach, showcasing remarkable object creations such as colobus-glass jar. https://xzr52.github.io/ATIH/
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We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization. Code is available at https://github.com/Aalto-QuML/Diffusion_twigs.
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With the emergence of various molecular tasks and massive datasets, how to perform efficient training has become an urgent yet under-explored issue in the area. Data pruning (DP), as an oft-stated approach to saving training burdens, filters out less influential samples to form a coreset for training. However, the increasing reliance on pretrained models for molecular tasks renders traditional in-domain DP methods incompatible. Therefore, we propose a **Mol**ecular data **P**runing framework for **e**nhanced **G**eneralization (**MolPeg**), which focuses on the source-free data pruning scenario, where data pruning is applied with pretrained models. By maintaining two models with different updating paces during training, we introduce a novel scoring function to measure the informativeness of samples based on the loss discrepancy. As a plug-and-play framework, MolPeg realizes the perception of both source and target domain and consistently outperforms existing DP methods across four downstream tasks. Remarkably, it can surpass the performance obtained from full-dataset training, even when pruning up to 60-70% of the data on HIV and PCBA dataset. Our work suggests that the discovery of effective data-pruning metrics could provide a viable path to both enhanced efficiency and superior generalization in transfer learning.
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Interacting systems are prevalent in nature. It is challenging to accurately predict the dynamics of the system if its constituent components are analyzed independently. We develop a graph-based model that unveils the systemic interactions of time series observed at irregular time points, by using a directed acyclic graph to model the conditional dependencies (a form of causal notation) of the system components and learning this graph in tandem with a continuous-time model that parameterizes the solution curves of ordinary differential equations (ODEs). Our technique, a graph neural flow, leads to substantial enhancements over non-graph-based methods, as well as graph-based methods without the modeling of conditional dependencies. We validate our approach on several tasks, including time series classification and forecasting, to demonstrate its efficacy.
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Recent advances in low light image enhancement have been dominated by Retinex-based learning framework, leveraging convolutional neural networks (CNNs) and Transformers. However, the vanilla Retinex theory primarily addresses global illumination degradation and neglects local issues such as noise and blur in dark conditions. Moreover, CNNs and Transformers struggle to capture global degradation due to their limited receptive fields. While state space models (SSMs) have shown promise in the long-sequence modeling, they face challenges in combining local invariants and global context in visual data. In this paper, we introduce MambaLLIE, an implicit Retinex-aware low light enhancer featuring a global-then-local state space design. We first propose a Local-Enhanced State Space Module (LESSM) that incorporates an augmented local bias within a 2D selective scan mechanism, enhancing the original SSMs by preserving local 2D dependency. Additionally, an Implicit Retinex-aware Selective Kernel module (IRSK) dynamically selects features using spatially-varying operations, adapting to varying inputs through an adaptive kernel selection process. Our Global-then-Local State Space Block (GLSSB) integrates LESSM and IRSK with layer normalization (LN) as its core. This design enables MambaLLIE to achieve comprehensive global long-range modeling and flexible local feature aggregation. Extensive experiments demonstrate that MambaLLIE significantly outperforms state-of-the-art CNN and Transformer-based methods. Our code is available at https://github.com/wengjiangwei/MambaLLIE.
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Bi-level optimizaiton (BO) has become a fundamental mathematical framework for addressing hierarchical machine learning problems. As deep learning models continue to grow in size, the demand for scalable bi-level optimization has become increasingly critical. Traditional gradient-based bi-level optimizaiton algorithms, due to their inherent characteristics, are ill-suited to meet the demands of large-scale applications. In this paper, we introduce **F**orward **G**radient **U**nrolling with **F**orward **G**radient, abbreviated as **$($FG$)^2$U**, which achieves an unbiased stochastic approximation of the meta gradient for bi-level optimizaiton. $($FG$)^2$U circumvents the memory and approximation issues associated with classical bi-level optimizaiton approaches, and delivers significantly more accurate gradient estimates than existing large-scale bi-level optimizaiton approaches. Additionally, $($FG$)^2$U is inherently designed to support parallel computing, enabling it to effectively leverage large-scale distributed computing systems to achieve significant computational efficiency. In practice, $($FG$)^2$U and other methods can be strategically placed at different stages of the training process to achieve a more cost-effective two-phase paradigm. Further, $($FG$)^2$U is easy to implement within popular deep learning frameworks, and can be conveniently adapted to address more challenging zeroth-order bi-level optimizaiton scenarios. We provide a thorough convergence analysis and a comprehensive practical discussion for $($FG$)^2$U, complemented by extensive empirical evaluations, showcasing its superior performance in diverse large-scale bi-level optimizaiton tasks.
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Recently, various strategies for distributed training of large language models (LLMs) have been proposed. By categorizing them into basic strategies and composite strategies, we have discovered that existing basic strategies provide limited options in specific scenarios, leaving considerable room for optimization in training speed. In this paper, we rethink the impact of memory and communication costs on the training speed of LLMs, taking into account the impact of intra- and inter-group communication performance disparities, and then propose a new set of basic strategies named the \textbf{Pa}rtial \textbf{R}edundancy \textbf{O}ptimizer (PaRO). PaRO Data Parallelism (PaRO-DP) accelerates LLM training through refined model state partitioning and tailored training procedures. At the same time, PaRO Collective Communications (PaRO-CC) speeds up collective communication operations by rearranging the topology. We also propose a guideline for choosing different DP strategies based on simple quantitative calculations, which yields minimal ranking errors. Our experiments demonstrate that PaRO improves the training speed of LLMs by up to 266\% that of ZeRO-3 as basic DP strategies. Moreover, employing PaRO-CC independently for model parallel strategies, such as Megatron, can also boost the training speed by 17\%.
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Existing permanental processes often impose constraints on kernel types or stationarity, limiting the model's expressiveness. To overcome these limitations, we propose a novel approach utilizing the sparse spectral representation of nonstationary kernels. This technique relaxes the constraints on kernel types and stationarity, allowing for more flexible modeling while reducing computational complexity to the linear level. Additionally, we introduce a deep kernel variant by hierarchically stacking multiple spectral feature mappings, further enhancing the model's expressiveness to capture complex patterns in data. Experimental results on both synthetic and real-world datasets demonstrate the effectiveness of our approach, particularly in scenarios with pronounced data nonstationarity. Additionally, ablation studies are conducted to provide insights into the impact of various hyperparameters on model performance.
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The interaction between Fourier transform and deep learning opens new avenues for long-term time series forecasting (LTSF). We propose a new perspective to reconsider the Fourier transform from a basis functions perspective. Specifically, the real and imaginary parts of the frequency components can be viewed as the coefficients of cosine and sine basis functions at tiered frequency levels, respectively. We argue existing Fourier-based methods do not involve basis functions thus fail to interpret frequency coefficients precisely and consider the time-frequency relationship sufficiently, leading to inconsistent starting cycles and inconsistent series length issues. Accordingly, a novel Fourier basis mapping (FBM) method addresses these issues by mixing time and frequency domain features through Fourier basis expansion. Differing from existing approaches, FBM (i) embeds the discrete Fourier transform with basis functions, and then (ii) can enable plug-and-play in various types of neural networks for better performance. FBM extracts explicit frequency features while preserving temporal characteristics, enabling the mapping network to capture the time-frequency relationships. By incorporating our unique time-frequency features, the FBM variants can enhance any type of networks like linear, multilayer-perceptron-based, transformer-based, and Fourier-based networks, achieving state-of-the-art LTSF results on diverse real-world datasets with just one or three fully connected layers. The code is available at: https://github.com/runze1223/Fourier-Basis-Mapping.
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Data-poisoning backdoor attacks are serious security threats to machine learning models, where an adversary can manipulate the training dataset to inject backdoors into models. In this paper, we focus on in-training backdoor defense, aiming to train a clean model even when the dataset may be potentially poisoned. Unlike most existing methods that primarily detect and remove/unlearn suspicious samples to mitigate malicious backdoor attacks, we propose a novel defense approach called PDB (Proactive Defensive Backdoor). Specifically, PDB leverages the “home field” advantage of defenders by proactively injecting a defensive backdoor into the model during training. Taking advantage of controlling the training process, the defensive backdoor is designed to suppress the malicious backdoor effectively while remaining secret to attackers. In addition, we introduce a reversible mapping to determine the defensive target label. During inference, PDB embeds a defensive trigger in the inputs and reverses the model’s prediction, suppressing malicious backdoor and ensuring the model's utility on the original task. Experimental results across various datasets and models demonstrate that our approach achieves state-of-the-art defense performance against a wide range of backdoor attacks. The code is available at https://github.com/shawkui/Proactive_Defensive_Backdoor.
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Out-of-distribution (OOD) detection is critical for deploying machine learning models in the open world. To design scoring functions that discern OOD data from the in-distribution (ID) cases from a pre-trained discriminative model, existing methods tend to make rigorous distributional assumptions either explicitly or implicitly due to the lack of knowledge about the learned feature space in advance. The mismatch between the learned and assumed distributions motivates us to raise a fundamental yet under-explored question: \textit{Is it possible to deterministically model the feature distribution while pre-training a discriminative model?} This paper gives an affirmative answer to this question by presenting a Distributional Representation Learning (\texttt{DRL}) framework for OOD detection. In particular, \texttt{DRL} explicitly enforces the underlying feature space to conform to a pre-defined mixture distribution, together with an online approximation of normalization constants to enable end-to-end training. Furthermore, we formulate \texttt{DRL} into a provably convergent Expectation-Maximization algorithm to avoid trivial solutions and rearrange the sequential sampling to guide the training consistency. Extensive evaluations across mainstream OOD detection benchmarks empirically manifest the superiority of the proposed \texttt{DRL} over its advanced counterparts.
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Over the past decade, there is a growing interest in collaborative learning that can enhance AI models of multiple parties. However, it is still challenging to enhance performance them without sharing private data and models from individual parties. One recent promising approach is to develop distillation-based algorithms that exploit unlabeled public data but the results are still unsatisfactory in both theory and practice. To tackle this problem, we rigorously analyze a representative distillation-based algorithm in the view of kernel regression. This work provides the first theoretical results to prove the (nearly) minimax optimality of the nonparametric collaborative learning algorithm that does not directly share local data or models in massively distributed statistically heterogeneous environments. Inspired by our theoretical results, we also propose a practical distillation-based collaborative learning algorithm based on neural network architecture. Our algorithm successfully bridges the gap between our theoretical assumptions and practical settings with neural networks through feature kernel matching. We simulate various regression tasks to verify our theory and demonstrate the practical feasibility of our proposed algorithm.
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The recent emergence of diffusion models has significantly advanced the precision of learnable priors, presenting innovative avenues for addressing inverse problems. Previous works have endeavored to integrate diffusion priors into the maximum a posteriori estimation (MAP) framework and design optimization methods to solve the inverse problem. However, prevailing optimization-based rithms primarily exploit the prior information within the diffusion models while neglecting their denoising capability. To bridge this gap, this work leverages the diffusion process to reframe noisy inverse problems as a two-variable constrained optimization task by introducing an auxiliary optimization variable that represents a 'noisy' sample at an equivalent denoising step. The projection gradient descent method is efficiently utilized to solve the corresponding optimization problem by truncating the gradient through the $\mu$-predictor. The proposed algorithm, termed ProjDiff, effectively harnesses the prior information and the denoising capability of a pre-trained diffusion model within the optimization framework. Extensive experiments on the image restoration tasks and source separation and partial generation tasks demonstrate that ProjDiff exhibits superior performance across various linear and nonlinear inverse problems, highlighting its potential for practical applications. Code is available at https://github.com/weigerzan/ProjDiff/.
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Autonomous driving has advanced significantly due to sensors, machine learning, and artificial intelligence improvements. However, prevailing methods struggle with intricate scenarios and causal relationships, hindering adaptability and interpretability in varied environments. To address the above problems, we introduce LeapAD, a novel paradigm for autonomous driving inspired by the human cognitive process. Specifically, LeapAD emulates human attention by selecting critical objects relevant to driving decisions, simplifying environmental interpretation, and mitigating decision-making complexities. Additionally, LeapAD incorporates an innovative dual-process decision-making module, which consists of an Analytic Process (System-II) for thorough analysis and reasoning, along with a Heuristic Process (System-I) for swift and empirical processing. The Analytic Process leverages its logical reasoning to accumulate linguistic driving experience, which is then transferred to the Heuristic Process by supervised fine-tuning. Through reflection mechanisms and a growing memory bank, LeapAD continuously improves itself from past mistakes in a closed-loop environment. Closed-loop testing in CARLA shows that LeapAD outperforms all methods relying solely on camera input, requiring 1-2 orders of magnitude less labeled data. Experiments also demonstrate that as the memory bank expands, the Heuristic Process with only 1.8B parameters can inherit the knowledge from a GPT-4 powered Analytic Process and achieve continuous performance improvement. Project page: https://pjlab-adg.github.io/LeapAD
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Meaningful Learning: Enhancing Abstract Reasoning in Large Language Models via Generic Fact Guidance
Large language models (LLMs) have developed impressive performance and strong explainability across various reasoning scenarios, marking a significant stride towards mimicking human-like intelligence. Despite this, when tasked with several simple questions supported by a generic fact, LLMs often struggle to abstract and apply the generic fact to provide consistent and precise answers, revealing a deficiency in abstract reasoning abilities. This has sparked a vigorous debate about whether LLMs are genuinely reasoning or merely memorizing. In light of this, we design a preliminary study to quantify and delve into the abstract reasoning abilities of existing LLMs. Our findings reveal a substantial discrepancy between their general reasoning and abstract reasoning performances. To relieve this problem, we tailor an abstract reasoning dataset (AbsR) together with a meaningful learning paradigm to teach LLMs how to leverage generic facts for reasoning purposes. The results show that our approach not only boosts the general reasoning performance of LLMs but also makes considerable strides towards their capacity for abstract reasoning, moving beyond simple memorization or imitation to a more nuanced understanding and application of generic facts. The code is available at https://github.com/Waste-Wood/MeanLearn.
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Large pretrained vision-language models like CLIP have shown promising generalization capability, but may struggle in specialized domains (e.g., satellite imagery) or fine-grained classification (e.g., car models) where the visual concepts are unseen or under-represented during pretraining. Prompt learning offers a parameter-efficient finetuning framework that can adapt CLIP to downstream tasks even when limited annotation data are available. In this paper, we improve prompt learning by distilling the textual knowledge from natural language prompts (either human- or LLM-generated) to provide rich priors for those under-represented concepts. We first obtain a prompt ``summary'' aligned to each input image via a learned prompt aggregator. Then we jointly train a prompt generator, optimized to produce a prompt embedding that stays close to the aggregated summary while minimizing task loss at the same time. We dub such prompt embedding as Aggregate-and-Adapted Prompt Embedding (AAPE). AAPE is shown to be able to generalize to different downstream data distributions and tasks, including vision-language understanding tasks (e.g., few-shot classification, VQA) and generation tasks (image captioning) where AAPE achieves competitive performance. We also show AAPE is particularly helpful to handle non-canonical and OOD examples. Furthermore, AAPE learning eliminates LLM-based inference cost as required by baselines, and scales better with data and LLM model size.
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We consider online model selection with decentralized data over $M$ clients, and study the necessity of collaboration among clients. Previous work proposed various federated algorithms without demonstrating their necessity, while we answer the question from a novel perspective of computational constraints. We prove lower bounds on the regret, and propose a federated algorithm and analyze the upper bound. Our results show (i) collaboration is unnecessary in the absence of computational constraints on clients; (ii) collaboration is necessary if the computational cost on each client is limited to $o(K)$, where $K$ is the number of candidate hypothesis spaces. We clarify the unnecessary nature of collaboration in previous federated algorithms for distributed online multi-kernel learning, and improve the regret bounds at a smaller computational and communication cost. Our algorithm relies on three new techniques including an improved Bernstein's inequality for martingale, a federated online mirror descent framework, and decoupling model selection and prediction, which might be of independent interest.
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While numerous Video Violence Detection (VVD) methods have focused on representation learning in Euclidean space, they struggle to learn sufficiently discriminative features, leading to weaknesses in recognizing normal events that are visually similar to violent events (i.e., ambiguous violence). In contrast, hyperbolic representation learning, renowned for its ability to model hierarchical and complex relationships between events, has the potential to amplify the discrimination between visually similar events. Inspired by these, we develop a novel Dual-Space Representation Learning (DSRL) method for weakly supervised VVD to utilize the strength of both Euclidean and hyperbolic geometries, capturing the visual features of events while also exploring the intrinsic relations between events, thereby enhancing the discriminative capacity of the features. DSRL employs a novel information aggregation strategy to progressively learn event context in hyperbolic spaces, which selects aggregation nodes through layer-sensitive hyperbolic association degrees constrained by hyperbolic Dirichlet energy. Furthermore, DSRL attempts to break the cyber-balkanization of different spaces, utilizing cross-space attention to facilitate information interactions between Euclidean and hyperbolic space to capture better discriminative features for final violence detection. Comprehensive experiments demonstrate the effectiveness of our proposed DSRL.
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We introduce the CRONOS algorithm for convex optimization of two-layer neural networks. CRONOS is the first algorithm capable of scaling to high-dimensional datasets such as ImageNet, which are ubiquitous in modern deep learning. This significantly improves upon prior work, which has been restricted to downsampled versions of MNIST and CIFAR-10. Taking CRONOS as a primitive, we then develop a new algorithm called CRONOS-AM, which combines CRONOS with alternating minimization, to obtain an algorithm capable of training multi-layer networks with arbitrary architectures. Our theoretical analysis proves that CRONOS converges to the global minimum of the convex reformulation under mild assumptions. In addition, we validate the efficacy of CRONOS and CRONOS-AM through extensive large-scale numerical experiments with GPU acceleration in JAX. Our results show that CRONOS-AM can obtain comparable or better validation accuracy than predominant tuned deep learning optimizers on vision and language tasks with benchmark datasets such as ImageNet and IMDb. To the best of our knowledge, CRONOS is the first algorithm which utilizes the convex reformulation to enhance performance on large-scale learning tasks.
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Efficient computation of graph diffusion equations (GDEs), such as Personalized PageRank, Katz centrality, and the Heat kernel, is crucial for clustering, training neural networks, and many other graph-related problems. Standard iterative methods require accessing the whole graph per iteration, making them time-consuming for large-scale graphs. While existing local solvers approximate diffusion vectors through heuristic local updates, they often operate sequentially and are typically designed for specific diffusion types, limiting their applicability. Given that diffusion vectors are highly localizable, as measured by the participation ratio, this paper introduces a novel framework for approximately solving GDEs using a local diffusion process. This framework reveals the suboptimality of existing local solvers. Furthermore, our approach effectively localizes standard iterative solvers by designing simple and provably sublinear time algorithms. These new local solvers are highly parallelizable, making them well-suited for implementation on GPUs. We demonstrate the effectiveness of our framework in quickly obtaining approximate diffusion vectors, achieving up to a hundred-fold speed improvement, and its applicability to large-scale dynamic graphs. Our framework could also facilitate more efficient local message-passing mechanisms for GNNs.
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_Graph Neural Tangent Kernel_ (GNTK) fuses graph neural networks and graph kernels, simplifies the process of graph representation learning, interprets the training dynamics of graph neural networks, and serves various applications like protein identification, image segmentation, and social network analysis. In practice, graph data carries complex information among entities that inevitably evolves over time, and previous static graph neural tangent kernel methods may be stuck in the sub-optimal solution in terms of both effectiveness and efficiency. As a result, extending the advantage of GNTK to temporal graphs becomes a critical problem. To this end, we propose the temporal graph neural tangent kernel, which not only extends the simplicity and interpretation ability of GNTK to the temporal setting but also leads to rigorous temporal graph classification error bounds. Furthermore, we prove that when the input temporal graph grows over time in the number of nodes, our temporal graph neural tangent kernel will converge in the limit to the _graphon_ NTK value, which implies the transferability and robustness of the proposed kernel method, named **Temp**oral **G**raph **N**eural **T**angent **K**ernel with **G**raphon-**G**uaranteed or **Temp-G$^3$NTK**. In addition to the theoretical analysis, we also perform extensive experiments, not only demonstrating the superiority of Temp-G$^3$NTK in the temporal graph classification task, but also showing that Temp-G^3NTK can achieve very competitive performance in node-level tasks like node classification compared with various SOTA graph kernel and representation learning baselines. Our code is available at https://github.com/kthrn22/TempGNTK.
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This paper considers the problem for finding the $(\delta,\epsilon)$-Goldstein stationary point of Lipschitz continuous objective, which is a rich function class to cover a great number of important applications. We construct a novel zeroth-order quantum estimator for the gradient of the smoothed surrogate. Based on such estimator, we propose a novel quantum algorithm that achieves a query complexity of $\tilde{\mathcal{O}}(d^{3/2}\delta^{-1}\epsilon^{-3})$ on the stochastic function value oracle, where $d$ is the dimension of the problem. We also enhance the query complexity to $\tilde{\mathcal{O}}(d^{3/2}\delta^{-1}\epsilon^{-7/3})$ by introducing a variance reduction variant. Our findings demonstrate the clear advantages of utilizing quantum techniques for non-convex non-smooth optimization, as they outperform the optimal classical methods on the dependency of $\epsilon$ by a factor of $\epsilon^{-2/3}$.
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Large Language Models (LLMs) can elicit unintended and even harmful content when misaligned with human values, posing severe risks to users and society. To mitigate these risks, current evaluation benchmarks predominantly employ expert-designed contextual scenarios to assess how well LLMs align with human values. However, the labor-intensive nature of these benchmarks limits their test scope, hindering their ability to generalize to the extensive variety of open-world use cases and identify rare but crucial long-tail risks. Additionally, these static tests fail to adapt to the rapid evolution of LLMs, making it hard to evaluate timely alignment issues. To address these challenges, we propose ALI-Agent, an evaluation framework that leverages the autonomous abilities of LLM-powered agents to conduct in-depth and adaptive alignment assessments. ALI-Agent operates through two principal stages: Emulation and Refinement. During the Emulation stage, ALI-Agent automates the generation of realistic test scenarios. In the Refinement stage, it iteratively refines the scenarios to probe long-tail risks. Specifically, ALI-Agent incorporates a memory module to guide test scenario generation, a tool-using module to reduce human labor in tasks such as evaluating feedback from target LLMs, and an action module to refine tests. Extensive experiments across three aspects of human values--stereotypes, morality, and legality--demonstrate that ALI-Agent, as a general evaluation framework, effectively identifies model misalignment. Systematic analysis also validates that the generated test scenarios represent meaningful use cases, as well as integrate enhanced measures to probe long-tail risks.
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We study Bandits with Knapsacks (Bwk) in a piecewise-stationary environment. We propose a novel inventory reserving algorithm which draws new insights into the problem. Suppose parameters $\eta_{\min}, \eta_{\max} \in (0,1]$ respectively lower and upper bound the reward earned and the resources consumed in a time round. Our algorithm achieves a provably near-optimal competitive ratio of $O(\log(\eta_{\max}/\eta_{\min}))$, with a matching lower bound provided. Our performance guarantee is based on a dynamic benchmark, distinguishing our work from existing works on adversarial Bwk who compare with the static benchmark. Furthermore, different from existing non-stationary Bwk work, we do not require a bounded global variation.
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Semantic Scene Completion (SSC) aims to perform geometric completion and semantic segmentation simultaneously. Despite the promising results achieved by existing studies, the inherently ill-posed nature of the task presents significant challenges in diverse driving scenarios. This paper introduces TALoS, a novel test-time adaptation approach for SSC that excavates the information available in driving environments. Specifically, we focus on that observations made at a certain moment can serve as Ground Truth (GT) for scene completion at another moment. Given the characteristics of the LiDAR sensor, an observation of an object at a certain location confirms both 1) the occupation of that location and 2) the absence of obstacles along the line of sight from the LiDAR to that point. TALoS utilizes these observations to obtain self-supervision about occupancy and emptiness, guiding the model to adapt to the scene in test time. In a similar manner, we aggregate reliable SSC predictions among multiple moments and leverage them as semantic pseudo-GT for adaptation. Further, to leverage future observations that are not accessible at the current time, we present a dual optimization scheme using the model in which the update is delayed until the future observation is available. Evaluations on the SemanticKITTI validation and test sets demonstrate that TALoS significantly improves the performance of the pre-trained SSC model.
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We propose a novel method, \textbf{TwinAct}, to tackle the challenge of decoupling actions and actors in order to customize the text-guided diffusion models (TGDMs) for few-shot action image generation. TwinAct addresses the limitations of existing methods that struggle to decouple actions from other semantics (e.g., the actor's appearance) due to the lack of an effective inductive bias with few exemplar images. Our approach introduces a common action space, which is a textual embedding space focused solely on actions, enabling precise customization without actor-related details. Specifically, TwinAct involves three key steps: 1) Building common action space based on a set of representative action phrases; 2) Imitating the customized action within the action space; and 3) Generating highly adaptable customized action images in diverse contexts with action similarity loss. To comprehensively evaluate TwinAct, we construct a novel benchmark, which provides sample images with various forms of actions. Extensive experiments demonstrate TwinAct's superiority in generating accurate, context-independent customized actions while maintaining the identity consistency of different subjects, including animals, humans, and even customized actors.
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We study offline multitask representation learning in reinforcement learning (RL), where a learner is provided with an offline dataset from different tasks that share a common representation and is asked to learn the shared representation. We theoretically investigate offline multitask low-rank RL, and propose a new algorithm called MORL for offline multitask representation learning. Furthermore, we examine downstream RL in reward-free, offline and online scenarios, where a new task is introduced to the agent that shares the same representation as the upstream offline tasks. Our theoretical results demonstrate the benefits of using the learned representation from the upstream offline task instead of directly learning the representation of the low-rank model.
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Models are expected to engage in invariance learning, which involves distinguishing the core relations that remain consistent across varying environments to ensure the predictions are safe, robust and fair. While existing works consider specific algorithms to realize invariance learning, we show that model has the potential to learn invariance through standard training procedures. In other words, this paper studies the implicit bias of Stochastic Gradient Descent (SGD) over heterogeneous data and shows that the implicit bias drives the model learning towards an invariant solution. We call the phenomenon the implicit invariance learning. Specifically, we theoretically investigate the multi-environment low-rank matrix sensing problem where in each environment, the signal comprises (i) a lower-rank invariant part shared across all environments; and (ii) a significantly varying environment-dependent spurious component. The key insight is, through simply employing the large step size large-batch SGD sequentially in each environment without any explicit regularization, the oscillation caused by heterogeneity can provably prevent model learning spurious signals. The model reaches the invariant solution after certain iterations. In contrast, model learned using pooled SGD over all data would simultaneously learn both the invariant and spurious signals. Overall, we unveil another implicit bias that is a result of the symbiosis between the heterogeneity of data and modern algorithms, which is, to the best of our knowledge, first in the literature.
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Uncertainty Quantification (UQ) is vital for decision makers as it offers insights into the potential reliability of data and model, enabling more informed and risk-aware decision-making. Graphical models, capable of representing data with complex dependencies, are widely used across domains. Existing sampling-based UQ methods are unbiased but cannot guarantee convergence and are time-consuming on large-scale graphs. There are fast UQ methods for graphical models with closed-form solutions and convergence guarantee but with uncertainty underestimation. We propose *LinUProp*, a UQ method that utilizes a novel linear propagation of uncertainty to model uncertainty among related nodes additively instead of multiplicatively, to offer linear scalability, guaranteed convergence, and closed-form solutions without underestimating uncertainty. Theoretically, we decompose the expected prediction error of the graphical model and prove that the uncertainty computed by *LinUProp* is the *generalized variance component* of the decomposition. Experimentally, we demonstrate that *LinUProp* is consistent with the sampling-based method but with linear scalability and fast convergence. Moreover, *LinUProp* outperforms competitors in uncertainty-based active learning on four real-world graph datasets, achieving higher accuracy with a lower labeling budget.
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Large Language Models (LLMs) often suffer from overconfidence during inference, particularly when adapted to downstream domain-specific tasks with limited data. Previous work addresses this issue by employing approximate Bayesian estimation after the LLMs are trained, enabling them to quantify uncertainty. However, such post-training approaches' performance is severely limited by the parameters learned during training. In this paper, we go beyond post-training Bayesianization and propose Bayesian Low-Rank Adaptation by Backpropagation (BLoB), an algorithm that continuously and jointly adjusts both the mean and covariance of LLM parameters throughout the whole fine-tuning process. Our empirical results verify the effectiveness of BLoB in terms of generalization and uncertainty estimation, when evaluated on both in-distribution and out-of-distribution data.
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Trained transformer models have been found to implement interpretable procedures for tasks like arithmetic and associative recall, but little is understood about how the circuits that implement these procedures originate during training. To what extent do they depend on the supervisory signal provided to models, and to what extent are they attributable to behavior already present in models at the beginning of training? To investigate these questions, we investigate what functions can be learned by randomly initialized transformers in which only the embedding layers are optimized, so that the only input--output mappings learnable from data are those already implemented (up to a choice of encoding scheme) by the randomly initialized model. We find that these random transformers can perform a wide range of meaningful algorithmic tasks, including modular arithmetic, in-weights and in-context associative recall, decimal addition, parenthesis balancing, and even some aspects of natural language text generation. Our results indicate that some algorithmic capabilities are present in transformers (and accessible via appropriately structured inputs) even before these models are trained.
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Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we introduce a novel framework called General Retrieval-Augmented Graph Learning (RAGraph), which brings external graph data into the general graph foundation model to improve model generalization on unseen scenarios. On the top of our framework is a toy graph vector library that we established, which captures key attributes, such as features and task-specific label information. During inference, the RAGraph adeptly retrieves similar toy graphs based on key similarities in downstream tasks, integrating the retrieved data to enrich the learning context via the message-passing prompting mechanism. Our extensive experimental evaluations demonstrate that RAGraph significantly outperforms state-of-the-art graph learning methods in multiple tasks such as node classification, link prediction, and graph classification across both dynamic and static datasets. Furthermore, extensive testing confirms that RAGraph consistently maintains high performance without the need for task-specific fine-tuning, highlighting its adaptability, robustness, and broad applicability.
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Existing dynamic scene generation methods mostly rely on distilling knowledge from pre-trained 3D generative models, which are typically fine-tuned on synthetic object datasets. As a result, the generated scenes are often object-centric and lack photorealism. To address these limitations, we introduce a novel pipeline designed for photorealistic text-to-4D scene generation, discarding the dependency on multi-view generative models and instead fully utilizing video generative models trained on diverse real-world datasets. Our method begins by generating a reference video using the video generation model. We then learn the canonical 3D representation of the video using a freeze-time video, delicately generated from the reference video. To handle inconsistencies in the freeze-time video, we jointly learn a per-frame deformation to model these imperfections. We then learn the temporal deformation based on the canonical representation to capture dynamic interactions in the reference video. The pipeline facilitates the generation of dynamic scenes with enhanced photorealism and structural integrity, viewable from multiple perspectives, thereby setting a new standard in 4D scene generation.
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Vision Language Models (VLMs) demonstrate remarkable proficiency in addressing a wide array of visual questions, which requires strong perception and reasoning faculties. Assessing these two competencies independently is crucial for model refinement, despite the inherent difficulty due to the intertwined nature of seeing and reasoning in existing VLMs. To tackle this issue, we present Prism, an innovative framework designed to disentangle the perception and reasoning processes involved in visual question solving. Prism comprises two distinct stages: a perception stage that utilizes a VLM to extract and articulate visual information in textual form, and a reasoning stage that formulates responses based on the extracted visual information using a Large Language Model (LLM). This modular design enables the systematic comparison and assessment of both proprietary and open-source VLM for their perception and reasoning strengths. Our analytical framework provides several valuable insights, underscoring Prism's potential as a cost-effective solution for vision-language tasks. By combining a streamlined VLM focused on perception with a powerful LLM tailored for reasoning, Prism achieves superior results in general vision-language tasks while substantially cutting down on training and operational expenses. Quantitative evaluations show that Prism, when configured with a vanilla 2B LLaVA and freely accessible GPT-3.5, delivers performance on par with VLMs $10 \times$ larger on the rigorous multimodal benchmark MMStar.
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The largest eigenvalue of the Hessian, or sharpness, of neural networks is a key quantity to understand their optimization dynamics. In this paper, we study the sharpness of deep linear networks for univariate regression. Minimizers can have arbitrarily large sharpness, but not an arbitrarily small one. Indeed, we show a lower bound on the sharpness of minimizers, which grows linearly with depth. We then study the properties of the minimizer found by gradient flow, which is the limit of gradient descent with vanishing learning rate. We show an implicit regularization towards flat minima: the sharpness of the minimizer is no more than a constant times the lower bound. The constant depends on the condition number of the data covariance matrix, but not on width or depth. This result is proven both for a small-scale initialization and a residual initialization. Results of independent interest are shown in both cases. For small-scale initialization, we show that the learned weight matrices are approximately rank-one and that their singular vectors align. For residual initialization, convergence of the gradient flow for a Gaussian initialization of the residual network is proven. Numerical experiments illustrate our results and connect them to gradient descent with non-vanishing learning rate.
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Scalarization is a general, parallizable technique that can be deployed in any multiobjective setting to reduce multiple objectives into one, yet some have dismissed this versatile approach because linear scalarizations cannot explore concave regions of the Pareto frontier. To that end, we aim to find simple non-linear scalarizations that provably explore a diverse set of $k$ objectives on the Pareto frontier, as measured by the dominated hypervolume. We show that hypervolume scalarizations with uniformly random weights achieves an optimal sublinear hypervolume regret bound of $O(T^{-1/k})$, with matching lower bounds that preclude any algorithm from doing better asymptotically. For the setting of multiobjective stochastic linear bandits, we utilize properties of hypervolume scalarizations to derive a novel non-Euclidean analysis to get regret bounds of $\tilde{O}( d T^{-1/2} + T^{-1/k})$, removing unnecessary $\text{poly}(k)$ dependencies. We support our theory with strong empirical performance of using non-linear scalarizations that outperforms both their linear counterparts and other standard multiobjective algorithms in a variety of natural settings.
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We study off-policy evaluation (OPE) in partially observable environments with complex observations, with the goal of developing estimators whose guarantee avoids exponential dependence on the horizon. While such estimators exist for MDPs and POMDPs can be converted to history-based MDPs, their estimation errors depend on the state-density ratio for MDPs which becomes history ratios after conversion, an exponential object. Recently, Uehara et al. [2022a] proposed future-dependent value functions as a promising framework to address this issue, where the guarantee for memoryless policies depends on the density ratio over the latent state space. However, it also depends on the boundedness of the future-dependent value function and other related quantities, which we show could be exponential-in-length and thus erasing the advantage of the method. In this paper, we discover novel coverage assumptions tailored to the structure of POMDPs, such as outcome coverage and belief coverage, which enable polynomial bounds on the aforementioned quantities. As a side product, our analyses also lead to the discovery of new algorithms with complementary properties.
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Safe reinforcement learning (RL) requires the agent to finish a given task while obeying specific constraints. Giving constraints in natural language form has great potential for practical scenarios due to its flexible transfer capability and accessibility. Previous safe RL methods with natural language constraints typically need to design cost functions manually for each constraint, which requires domain expertise and lacks flexibility. In this paper, we harness the dual role of text in this task, using it not only to provide constraint but also as a training signal. We introduce the Trajectory-level Textual Constraints Translator (TTCT) to replace the manually designed cost function. Our empirical results demonstrate that TTCT effectively comprehends textual constraint and trajectory, and the policies trained by TTCT can achieve a lower violation rate than the standard cost function. Extra studies are conducted to demonstrate that the TTCT has zero-shot transfer capability to adapt to constraint-shift environments.
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This paper introduces the notion of upper-linearizable/quadratizable functions, a class that extends concavity and DR-submodularity in various settings, including monotone and non-monotone cases over different types of convex sets. A general meta-algorithm is devised to convert algorithms for linear/quadratic maximization into ones that optimize upper-linearizable/quadratizable functions, offering a unified approach to tackling concave and DR-submodular optimization problems. The paper extends these results to multiple feedback settings, facilitating conversions between semi-bandit/first-order feedback and bandit/zeroth-order feedback, as well as between first/zeroth-order feedback and semi-bandit/bandit feedback. Leveraging this framework, new algorithms are derived using existing results as base algorithms for convex optimization, improving upon state-of-the-art results in various cases. Dynamic and adaptive regret guarantees are obtained for DR-submodular maximization, marking the first algorithms to achieve such guarantees in these settings. Notably, the paper achieves these advancements with fewer assumptions compared to existing state-of-the-art results, underscoring its broad applicability and theoretical contributions to non-convex optimization.
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Class-incremental learning (CIL) aims to continually learn a sequence of tasks, with each task consisting of a set of unique classes. Graph CIL (GCIL) follows the same setting but needs to deal with graph tasks (e.g., node classification in a graph). The key characteristic of CIL lies in the absence of task identifiers (IDs) during inference, which causes a significant challenge in separating classes from different tasks (i.e., inter-task class separation). Being able to accurately predict the task IDs can help address this issue, but it is a challenging problem. In this paper, we show theoretically that accurate task ID prediction on graph data can be achieved by a Laplacian smoothing-based graph task profiling approach, in which each graph task is modeled by a task prototype based on Laplacian smoothing over the graph. It guarantees that the task prototypes of the same graph task are nearly the same with a large smoothing step, while those of different tasks are distinct due to differences in graph structure and node attributes. Further, to avoid the catastrophic forgetting of the knowledge learned in previous graph tasks, we propose a novel graph prompting approach for GCIL which learns a small discriminative graph prompt for each task, essentially resulting in a separate classification model for each task. The prompt learning requires the training of a single graph neural network (GNN) only once on the first task, and no data replay is required thereafter, thereby obtaining a GCIL model being both replay-free and forget-free. Extensive experiments on four GCIL benchmarks show that i) our task prototype-based method can achieve 100% task ID prediction accuracy on all four datasets, ii) our GCIL model significantly outperforms state-of-the-art competing methods by at least 18% in average CIL accuracy, and iii) our model is fully free of forgetting on the four datasets.
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While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation with very few sampling steps, reliance on training data access, or mode-seeking optimization that may fail to capture the full distribution. We propose EM Distillation (EMD), a maximum likelihood-based approach that distills a diffusion model to a one-step generator model with minimal loss of perceptual quality. Our approach is derived through the lens of Expectation-Maximization (EM), where the generator parameters are updated using samples from the joint distribution of the diffusion teacher prior and inferred generator latents. We develop a reparametrized sampling scheme and a noise cancellation technique that together stabilizes the distillation process. We further reveal an interesting connection of our method with existing methods that minimize mode-seeking KL. EMD outperforms existing one-step generative methods in terms of FID scores on ImageNet-64 and ImageNet-128, and compares favorably with prior work on distilling text-to-image diffusion models.
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Binocular 3D human pose estimation (HPE), reconstructing a 3D pose from 2D poses of two views, offers practical advantages by combining multiview geometry with the convenience of a monocular setup. However, compared to a multiview setup, the reduction in the number of cameras increases uncertainty in 3D reconstruction. To address this issue, we leverage the diffusion model, which has shown success in monocular 3D HPE by recovering 3D poses from noisy data with high uncertainty. Yet, the uncertainty distribution of initial 3D poses remains unknown. Considering that 3D errors stem from 2D errors within geometric constraints, we recognize that the uncertainties of 3D and 2D are integrated in a binocular configuration, with the initial 2D uncertainty being well-defined. Based on this insight, we propose Dual-Diffusion specifically for Binocular 3D HPE, simultaneously denoising the uncertainties in 2D and 3D, and recovering plausible and accurate results. Additionally, we introduce Z-embedding as an additional condition for denoising and implement baseline-width-related pose normalization to enhance the model flexibility for various baseline settings. This is crucial as 3D error influence factors encompass depth and baseline width. Extensive experiments validate the effectiveness of our Dual-Diffusion in 2D refinement and 3D estimation. The code and models are available at https://github.com/sherrywan/Dual-Diffusion.
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Autoregressive language models have achieved remarkable advancements, yet their potential is often limited by the slow inference speeds associated with sequential token generation. Blockwise parallel decoding (BPD) was proposed by Stern et al. [42] as a method to improve inference speed of language models by simultaneously predicting multiple future tokens, termed block drafts, which are subsequently verified by the autoregressive model. This paper advances the understanding and improvement of block drafts in two ways. First, we analyze token distributions generated across multiple prediction heads. Second, leveraging these insights, we propose algorithms to improve BPD inference speed by refining the block drafts using task-independent \ngram and neural language models as lightweight rescorers. Experiments demonstrate that by refining block drafts of open-sourced Vicuna and Medusa LLMs, the mean accepted token length are increased by 5-25% relative. This results in over a 3x speedup in wall clock time compared to standard autoregressive decoding in open-source 7B and 13B LLMs.
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Time series analysis is widely used in many fields such as power energy, economics, and transportation, including different tasks such as forecasting, anomaly detection, classification, etc. Missing values are widely observed in these tasks, and often leading to unpredictable negative effects on existing methods, hindering their further application. In response to this situation, existing time series imputation methods mainly focus on restoring sequences based on their data characteristics, while ignoring the performance of the restored sequences in downstream tasks. Considering different requirements of downstream tasks (e.g., forecasting), this paper proposes an efficient downstream task-oriented time series imputation evaluation approach. By combining time series imputation with neural network models used for downstream tasks, the gain of different imputation strategies on downstream tasks is estimated without retraining, and the most favorable imputation value for downstream tasks is given by combining different imputation strategies according to the estimated gain.
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Causal reasoning capability is critical in advancing large language models (LLMs) towards artificial general intelligence (AGI). While versatile LLMs appear to have demonstrated capabilities in understanding contextual causality and providing responses that obey the laws of causality, it remains unclear whether they perform genuine causal reasoning akin to humans. However, current evidence indicates the contrary. Specifically, LLMs are only capable of performing shallow (level-1) causal reasoning, primarily attributed to the causal knowledge embedded in their parameters, but they lack the capacity for genuine human-like (level-2) causal reasoning. To support this hypothesis, methodologically, we delve into the autoregression mechanism of transformer-based LLMs, revealing that it is not inherently causal. Empirically, we introduce a new causal Q&A benchmark named CausalProbe 2024, whose corpus is fresh and nearly unseen for the studied LLMs. Empirical results show a significant performance drop on CausalProbe 2024 compared to earlier benchmarks, indicating that LLMs primarily engage in level-1 causal reasoning.To bridge the gap towards level-2 causal reasoning, we draw inspiration from the fact that human reasoning is usually facilitated by general knowledge and intended goals. Inspired by this, we propose G$^2$-Reasoner, a LLM causal reasoning method that incorporates general knowledge and goal-oriented prompts into LLMs' causal reasoning processes. Experiments demonstrate that G$^2$-Reasoner significantly enhances LLMs' causal reasoning capability, particularly in fresh and fictitious contexts. This work sheds light on a new path for LLMs to advance towards genuine causal reasoning, going beyond level-1 and making strides towards level-2.
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Privacy is a growing concern in modern deep-learning systems and applications. Differentially private (DP) training prevents the leakage of sensitive information in the collected training data from the trained machine learning models. DP optimizers, including DP stochastic gradient descent (DPSGD) and its variants, privatize the training procedure by gradient clipping and *DP noise* injection. However, in practice, DP models trained using DPSGD and its variants often suffer from significant model performance degradation. Such degradation prevents the application of DP optimization in many key tasks, such as foundation model pretraining. In this paper, we provide a novel *signal processing perspective* to the design and analysis of DP optimizers. We show that a ''frequency domain'' operation called *low-pass filtering* can be used to effectively reduce the impact of DP noise. More specifically, by defining the ''frequency domain'' for both the gradient and differential privacy (DP) noise, we have developed a new component, called DOPPLER. This component is designed for DP algorithms and works by effectively amplifying the gradient while suppressing DP noise within this frequency domain. As a result, it maintains privacy guarantees and enhances the quality of the DP-protected model. Our experiments show that the proposed DP optimizers with a low-pass filter outperform their counterparts without the filter on various models and datasets. Both theoretical and practical evidence suggest that the DOPPLER is effective in closing the gap between DP and non-DP training.
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Can we generate a control policy for an agent using just one demonstration of desired behaviors as a prompt, as effortlessly as creating an image from a textual description? In this paper, we present **Make-An-Agent**, a novel policy parameter generator that leverages the power of conditional diffusion models for behavior-to-policy generation. Guided by behavior embeddings that encode trajectory information, our policy generator synthesizes latent parameter representations, which can then be decoded into policy networks. Trained on policy network checkpoints and their corresponding trajectories, our generation model demonstrates remarkable versatility and scalability on multiple tasks and has a strong generalization ability on unseen tasks to output well-performed policies with only few-shot demonstrations as inputs. We showcase its efficacy and efficiency on various domains and tasks, including varying objectives, behaviors, and even across different robot manipulators. Beyond simulation, we directly deploy policies generated by **Make-An-Agent** onto real-world robots on locomotion tasks. Project page: https://cheryyunl.github.io/make-an-agent/.
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Test-time adaptation (TTA) is the most realistic methodology for adapting deep learning models to the real world using only unlabeled data from the target domain. Numerous TTA studies in deep learning have aimed at minimizing entropy. However, this necessitates forward/backward processes across the entire model and is limited by the incapability to fully leverage data based solely on entropy. This study presents a groundbreaking TTA solution that involves a departure from the conventional focus on minimizing entropy. Our innovative approach uniquely remodels the stem layer (i.e., the first layer) to emphasize minimizing a new learning criterion, namely, uncertainty. This method requires minimal involvement of the model's backbone, with only the stem layer participating in the TTA process. This approach significantly reduces the memory required for training and enables rapid adaptation to the target domain with minimal parameter updates. Moreover, to maximize data leveraging, the stem layer applies a discrete wavelet transform to the input features. It extracts multi-frequency domains and focuses on minimizing their individual uncertainties. The proposed method integrated into ResNet-26 and ResNet-50 models demonstrates its robustness by achieving outstanding TTA performance while using the least amount of memory compared to existing studies on CIFAR-10-C, ImageNet-C, and Cityscapes-C benchmark datasets. The code is available at https://github.com/janus103/L_TTA.
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Pre-trained vision-language models (VLMs) have shown impressive results in various visual classification tasks. However, we often fail to fully unleash their potential when adapting them for new concept understanding due to limited information on new classes. To address this limitation, we introduce a novel adaptation framework, AWT (Augment, Weight, then Transport). AWT comprises three key components: augmenting inputs with diverse visual perspectives and enriched class descriptions through image transformations and language models; dynamically weighting inputs based on the prediction entropy; and employing optimal transport to mine semantic correlations in the vision-language space. AWT can be seamlessly integrated into various VLMs, enhancing their zero-shot capabilities without additional training and facilitating few-shot learning through an integrated multimodal adapter module. We verify AWT in multiple challenging scenarios, including zero-shot and few-shot image classification, zero-shot video action recognition, and out-of-distribution generalization. AWT consistently outperforms the state-of-the-art methods in each setting. In addition, our extensive studies further demonstrate AWT's effectiveness and adaptability across different VLMs, architectures, and scales.
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When learning vision-language models (VLM) for the fashion domain, most existing works design new architectures from vanilla BERT with additional objectives, or perform dense multi-task learning with fashion-specific tasks. Though progress has been made, their architecture or objectives are often intricate and the extendibility is limited. By contrast, with simple architecture (comprising only two unimodal encoders) and just the contrastive objective, popular pre-trained VL models (e.g., CLIP) achieve superior performance in general domains, which are further easily extended to downstream tasks. However, inheriting such benefits of CLIP in the fashion domain is non-trivial in the presence of the notable domain gap. Empirically, we find that directly finetuning on fashion data leads CLIP to frequently ignore minor yet important details such as logos and composition, which are critical in fashion tasks such as retrieval and captioning. In this work, to maintain CLIP's simple architecture and objective while explicitly attending to fashion details, we propose $E^2$: Easy Regional Contrastive Learning of Expressive Fashion Representations. $E^2$ introduces only a few selection tokens and fusion blocks (just 1.9\% additional parameters in total) with only contrastive losses. Despite lightweight, in our primary focus, cross-modal retrieval, $E^2$ notably outperforms existing fashion VLMs with various fashion-specific objectives. Moreover, thanks to CLIP's widespread use in downstream tasks in general domains (e.g., zero-shot composed image retrieval and image captioning), our model can easily extend these models from general domain to the fashion domain with notable improvement. To conduct a comprehensive evaluation, we further collect data from Amazon Reviews to build a new dataset for cross-modal retrieval in the fashion domain.
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Vision-language foundation models (such as CLIP) have recently shown their power in transfer learning, owing to large-scale image-text pre-training. However, target domain data in the downstream tasks can be highly different from the pre-training phase, which makes it hard for such a single model to generalize well. Alternatively, there exists a wide range of expert models that contain diversified vision and/or language knowledge pre-trained on different modalities, tasks, networks, and datasets. Unfortunately, these models are "isolated agents" with heterogeneous structures, and how to integrate their knowledge for generalizing CLIP-like models has not been fully explored. To bridge this gap, we propose a general and concise TransAgent framework, which transports the knowledge of the isolated agents in a unified manner, and effectively guides CLIP to generalize with multi-source knowledge distillation. With such a distinct framework, we flexibly collaborate with 11 heterogeneous agents to empower vision-language foundation models, without further cost in the inference phase. Finally, our TransAgent achieves state-of-the-art performance on 11 visual recognition datasets. Under the same low-shot setting, it outperforms the popular CoOp with around 10\% on average, and 20\% on EuroSAT which contains large domain shifts.
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User intentions are typically formalized as evaluation rewards to be maximized when fine-tuning language models (LMs). Existing alignment methods, such as Direct Preference Optimization (DPO), are mainly tailored for pairwise preference data where rewards are implicitly defined rather than explicitly given. In this paper, we introduce a general framework for LM alignment, leveraging Noise Contrastive Estimation (NCE) to bridge the gap in handling reward datasets explicitly annotated with scalar evaluations. Our framework comprises two parallel algorithms, NCA and InfoNCA, both enabling the direct extraction of an LM policy from reward data as well as preference data. Notably, we show that the DPO loss is a special case of our proposed InfoNCA objective under pairwise preference settings, thereby integrating and extending current alignment theories. By comparing NCA and InfoNCA, we demonstrate that the well-observed decreasing-likelihood trend of DPO/InfoNCA is caused by their focus on adjusting relative likelihood across different responses. In contrast, NCA optimizes the absolute likelihood for each response, thereby effectively preventing the chosen likelihood from decreasing. We evaluate our methods in both reward and preference settings with Mistral-8$\times$7B and 7B models. Experiments suggest that InfoNCA/NCA surpasses various preference baselines when reward datasets are available. We also find NCA significantly outperforms DPO in complex reasoning tasks like math and coding.
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The saturation effects, which originally refer to the fact that kernel ridge regression (KRR) fails to achieve the information-theoretical lower bound when the regression function is over-smooth, have been observed for almost 20 years and were rigorously proved recently for kernel ridge regression and some other spectral algorithms over a fixed dimensional domain. The main focus of this paper is to explore the saturation effects for a large class of spectral algorithms (including the KRR, gradient descent, etc.) in large dimensional settings where $n \asymp d^{\gamma}$. More precisely, we first propose an improved minimax lower bound for the kernel regression problem in large dimensional settings and show that the gradient flow with early stopping strategy will result in an estimator achieving this lower bound (up to a logarithmic factor). Similar to the results in KRR, we can further determine the exact convergence rates (both upper and lower bounds) of a large class of (optimal tuned) spectral algorithms with different qualification $\tau$'s. In particular, we find that these exact rate curves (varying along $\gamma$) exhibit the periodic plateau behavior and the polynomial approximation barrier. Consequently, we can fully depict the saturation effects of the spectral algorithms and reveal a new phenomenon in large dimensional settings (i.e., the saturation effect occurs in large dimensional setting as long as the source condition $s>\tau$ while it occurs in fixed dimensional setting as long as $s>2\tau$).
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While many contemporary large language models (LLMs) can process lengthy input, they still struggle to fully utilize information within the long context, known as the *lost-in-the-middle* challenge. We hypothesize that it stems from insufficient explicit supervision during the long-context training, which fails to emphasize that any position in a long context can hold crucial information. Based on this intuition, our study presents **information-intensive (IN2) training**, a purely data-driven solution to overcome lost-in-the-middle. Specifically, IN2 training leverages a synthesized long-context question-answer dataset, where the answer requires (1) **fine-grained information awareness** on a short segment (~128 tokens) within a synthesized long context (4K-32K tokens), and (2) the **integration and reasoning** of information from two or more short segments. Through applying this information-intensive training on Mistral-7B, we present **FILM-7B** (FIll-in-the-Middle). To thoroughly assess the ability of FILM-7B for utilizing long contexts, we design three probing tasks that encompass various context styles (document, code, and structured-data context) and information retrieval patterns (forward, backward, and bi-directional retrieval). The probing results demonstrate that FILM-7B can robustly retrieve information from different positions in its 32K context window. Beyond these probing tasks, FILM-7B significantly improves the performance on real-world long-context tasks (e.g., 23.5->26.9 F1 score on NarrativeQA), while maintaining a comparable performance on short-context tasks (e.g., 59.3->59.2 accuracy on MMLU).
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We investigate a family of simple long-context attacks on large language models: prompting with hundreds of demonstrations of undesirable behavior. This attack is newly feasible with the larger context windows recently deployed by language model providers like Google DeepMind, OpenAI and Anthropic. We find that in diverse, realistic circumstances, the effectiveness of this attack follows a power law, up to hundreds of shots. We demonstrate the success of this attack on the most widely used state-of-the-art closed-weight models, and across various tasks. Our results suggest very long contexts present a rich new attack surface for LLMs.
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Split federated learning (SFL) is a recent distributed approach for collaborative model training among multiple clients. In SFL, a global model is typically split into two parts, where clients train one part in a parallel federated manner, and a main server trains the other. Despite the recent research on SFL algorithm development, the convergence analysis of SFL is missing in the literature, and this paper aims to fill this gap. The analysis of SFL can be more challenging than that of federated learning (FL), due to the potential dual-paced updates at the clients and the main server. We provide convergence analysis of SFL for strongly convex and general convex objectives on heterogeneous data. The convergence rates are $O(1/T)$ and $O(1/\sqrt[3]{T})$, respectively, where $T$ denotes the total number of rounds for SFL training. We further extend the analysis to non-convex objectives and where some clients may be unavailable during training. Numerical experiments validate our theoretical results and show that SFL outperforms FL and split learning (SL) when data is highly heterogeneous across a large number of clients.
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Despite the widespread success of Transformers across various domains, their optimization guarantees in large-scale model settings are not well-understood. This paper rigorously analyzes the convergence properties of gradient flow in training Transformers with weight decay regularization. First, we construct the mean-field limit of large-scale Transformers, showing that as the model width and depth go to infinity, gradient flow converges to the Wasserstein gradient flow, which is represented by a partial differential equation. Then, we demonstrate that the gradient flow reaches a global minimum consistent with the PDE solution when the weight decay regularization parameter is sufficiently small. Our analysis is based on a series of novel mean-field techniques that adapt to Transformers. Compared with existing tools for deep networks (Lu et al., 2020) that demand homogeneity and global Lipschitz smoothness, we utilize a refined analysis assuming only $\textit{partial homogeneity}$ and $\textit{local Lipschitz smoothness}$. These new techniques may be of independent interest.
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Deep supervised models possess significant capability to assimilate extensive training data, thereby presenting an opportunity to enhance model performance through training on multiple datasets. However, conflicts arising from different label spaces among datasets may adversely affect model performance. In this paper, we propose a novel approach to automatically construct a unified label space across multiple datasets using graph neural networks. This enables semantic segmentation models to be trained simultaneously on multiple datasets, resulting in performance improvements. Unlike existing methods, our approach facilitates seamless training without the need for additional manual reannotation or taxonomy reconciliation. This significantly enhances the efficiency and effectiveness of multi-dataset segmentation model training. The results demonstrate that our method significantly outperforms other multi-dataset training methods when trained on seven datasets simultaneously, and achieves state-of-the-art performance on the WildDash 2 benchmark. Our code can be found in https://github.com/Mrhonor/AutoUniSeg.
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Recent research on fine-tuning vision-language models has demonstrated impressive performance in various downstream tasks. However, the challenge of obtaining accurately labeled data in real-world applications poses a significant obstacle during the fine-tuning process. To address this challenge, this paper presents a Denoising Fine-Tuning framework, called DeFT, for adapting vision-language models. DeFT utilizes the robust alignment of textual and visual features pre-trained on millions of auxiliary image-text pairs to sieve out noisy labels. The proposed framework establishes a noisy label detector by learning positive and negative textual prompts for each class. The positive prompt seeks to reveal distinctive features of the class, while the negative prompt serves as a learnable threshold for separating clean and noisy samples. We employ parameter-efficient fine-tuning for the adaptation of a pre-trained visual encoder to promote its alignment with the learned textual prompts. As a general framework, DeFT can seamlessly fine-tune many pre-trained models to downstream tasks by utilizing carefully selected clean samples. Experimental results on seven synthetic and real-world noisy datasets validate the effectiveness of DeFT in both noisy label detection and image classification. Our source code can be found in the supplementary material.
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Aligning language models (LMs) to human preferences has emerged as a critical pursuit, enabling these models to better serve diverse user needs. Existing methods primarily focus on optimizing LMs for a single reward function, limiting their adaptability to varied objectives. Here, we propose $\textbf{multi-objective decoding~(MOD)}$, a decoding-time algorithm that outputs the next token from a linear combination of predictions of all base models, for any given weighting over different objectives. We exploit a common form among a family of $f$-divergence regularized alignment approaches (such as PPO, DPO, and their variants) to identify a closed-form solution by Legendre transform, and derive an efficient decoding strategy. Theoretically, we show why existing approaches can be sub-optimal even in natural settings and obtain optimality guarantees for our method. Empirical results demonstrate the effectiveness of the algorithm. For example, compared to a parameter-merging baseline, MOD achieves 12.8\% overall reward improvement when equally optimizing towards $3$ objectives. Moreover, we experiment with MOD on combining three fully-finetuned LMs of different model sizes, each aimed at different objectives such as safety, coding, and general user preference. Unlike traditional methods that require careful curation of a mixture of datasets to achieve comprehensive improvement, we can quickly experiment with preference weightings using MOD to find the best combination of models. Our best combination reduces toxicity on Toxigen to nearly 0\% and achieves 7.9--33.3\% improvement across three other metrics ($\textit{i.e.}$, Codex@1, GSM-COT, BBH-COT).
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Graph homophily refers to the phenomenon that connected nodes tend to share similar characteristics. Understanding this concept and its related metrics is crucial for designing effective Graph Neural Networks (GNNs). The most widely used homophily metrics, such as edge or node homophily, quantify such "similarity" as label consistency across the graph topology. These metrics are believed to be able to reflect the performance of GNNs, especially on node-level tasks. However, many recent studies have empirically demonstrated that the performance of GNNs does not always align with homophily metrics, and how homophily influences GNNs still remains unclear and controversial. Then, a crucial question arises: What is missing in our current understanding of homophily? To figure out the missing part, in this paper, we disentangle the graph homophily into three aspects: label, structural, and feature homophily, which are derived from the three basic elements of graph data. We argue that the synergy of the three homophily can provide a more comprehensive understanding of GNN performance. Our new proposed structural and feature homophily consider the neighborhood consistency and feature dependencies among nodes, addressing the previously overlooked structural and feature aspects in graph homophily. To investigate their synergy, we propose a Contextual Stochastic Block Model with three types of Homophily (CSBM-3H), where the topology and feature generation are controlled by the three metrics. Based on the theoretical analysis of CSBM-3H, we derive a new composite metric, named Tri-Hom, that considers all three aspects and overcomes the limitations of conventional homophily metrics. The theoretical conclusions and the effectiveness of Tri-Hom have been verified through synthetic experiments on CSBM-3H. In addition, we conduct experiments on $31$ real-world benchmark datasets and calculate the correlations between homophily metrics and model performance. Tri-Hom has significantly higher correlation values than $17$ existing metrics that only focus on a single homophily aspect, demonstrating its superiority and the importance of homophily synergy. Our code is available at https://github.com/zylMozart/Disentangle_GraphHom.
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Deep learning has seen remarkable advancements in machine learning, yet it often demands extensive annotated data. Tasks like 3D semantic segmentation impose a substantial annotation burden, especially in domains like medicine, where expert annotations drive up the cost. Active learning (AL) holds great potential to alleviate this annotation burden in 3D medical segmentation. The majority of existing AL methods, however, are not tailored to the medical domain. While weakly-supervised methods have been explored to reduce annotation burden, the fusion of AL with weak supervision remains unexplored, despite its potential to significantly reduce annotation costs. Additionally, there is little focus on slice-based AL for 3D segmentation, which can also significantly reduce costs in comparison to conventional volume-based AL. This paper introduces a novel metric learning method for Coreset to perform slice-based active learning in 3D medical segmentation. By merging contrastive learning with inherent data groupings in medical imaging, we learn a metric that emphasizes the relevant differences in samples for training 3D medical segmentation models. We perform comprehensive evaluations using both weak and full annotations across four datasets (medical and non-medical). Our findings demonstrate that our approach surpasses existing active learning techniques on both weak and full annotations and obtains superior performance with low-annotation budgets which is crucial in medical imaging. Source code for this project is available in the supplementary materials and on GitHub: https://github.com/arvindmvepa/al-seg.
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Intermittent control problems are common in real world. The interactions between the decision maker and the executor can be discontinuous (intermittent) due to various types of interruptions, e.g. unstable communication channel. Due to intermittent interaction, agents are unable to acquire the state sent by the executor and cannot transmit actions to the executor within a period of time step, i.e. bidirectional blockage, which may lead to inefficiencies of reinforcement learning policies and prevent the executors from completing the task. Such problem is not well studied in the RL community. In this paper, we model Intermittent control problem as an Intermittent Control Markov Decision Process, i.e agents are expected to generate action sequences corresponding to the unavailable states and transmit them before disabling interactions to ensure the smooth and effective motion of executors. However, directly generating multiple future actions in the original action space has unnatural motion issue and exploration difficulty. We propose **M**ulti-step **A**ction **R**epre**S**entation (**MARS**), which encodes a sequence of actions from the original action space to a compact and decodable latent space. Then based on the latent action sequence representation, the mainstream RL methods can be easily optimized to learn a smooth and efficient motion policy. Extensive experiments on simulation tasks and real-world robotic grasping tasks show that MARS significantly improves the learning efficiency and final performances compared with existing baselines.
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Given a graph $G$ and a positive integer $k$, the Graphlet Sampling problem asks to sample a connected induced $k$-vertex subgraph of $G$ uniformly at random. Graphlet sampling enhances machine learning applications by transforming graph structures into feature vectors for tasks such as graph classification and subgraph identification, boosting neural network performance, and supporting clustered federated learning by capturing local structures and relationships. A recent work has shown that the problem admits an algorithm that preprocesses $G$ in time $O(nk^2 \log k + m)$, and draws one sample in expected time $k^{O(k)} \log n$, where $n=|V(G)|$ and $m=|E(G)|$. Such an algorithm relies on the assumption that the input graph fits into main memory and it does not seem to be straightforward to adapt it to very large graphs. We consider Graphlet Sampling in the semi-streaming setting, where we have a memory of $M = \Omega(n \log n)$ words, and $G$ can be only read through sequential passes over the edge list. We develop a semi-streaming algorithm that preprocesses $G$ in $p={O}(\log n)$ passes and samples $\Theta(M k^{-O(k)})$ independent uniform $k$-graphlets in $O(k)$ passes. For constant $k$, both phases run in time $O((n+m)\log n)$. We also show that the tradeoff between memory and number of passes of our algorithms is near-optimal. Our extensive evaluation on very large graphs shows the effectiveness of our algorithms.
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Large language models (LLMs) have garnered significant attention for their remarkable capabilities across various domains, whose vast parameter scales present challenges for practical deployment. Structured pruning is an effective method to balance model performance with efficiency, but performance restoration under computational resource constraints is a principal challenge in pruning LLMs. Therefore, we present a low-cost and fast structured pruning method for LLMs named SlimGPT based on the Optimal Brain Surgeon framework. We propose Batched Greedy Pruning for rapid and near-optimal pruning, which enhances the accuracy of head-wise pruning error estimation through grouped Cholesky decomposition and improves the pruning efficiency of FFN via Dynamic Group Size, thereby achieving approximate local optimal pruning results within one hour. Besides, we explore the limitations of layer-wise pruning from the perspective of error accumulation and propose Incremental Pruning Ratio, a non-uniform pruning strategy to reduce performance degradation. Experimental results on the LLaMA benchmark show that SlimGPT outperforms other methods and achieves state-of-the-art results.
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Modeling and producing lifelike clothed human images has attracted researchers' attention from different areas for decades, with the complexity from highly articulated and structured content. Rendering algorithms decompose and simulate the imaging process of a camera, while are limited by the accuracy of modeled variables and the efficiency of computation. Generative models can produce impressively vivid human images, however still lacking in controllability and editability. This paper studies photorealism enhancement of rendered images, leveraging generative power from diffusion models on the controlled basis of rendering. We introduce a novel framework to translate rendered images into their realistic counterparts, which consists of two stages: Domain Knowledge Injection (DKI) and Realistic Image Generation (RIG). In DKI, we adopt positive (real) domain finetuning and negative (rendered) domain embedding to inject knowledge into a pretrained Text-to-image (T2I) diffusion model. In RIG, we generate the realistic image corresponding to the input rendered image, with a Texture-preserving Attention Control (TAC) to preserve fine-grained clothing textures, exploiting the decoupled features encoded in the UNet structure. Additionally, we introduce SynFashion dataset, featuring high-quality digital clothing images with diverse textures. Extensive experimental results demonstrate the superiority and effectiveness of our method in rendered-to-real image translation.
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The information processing in the brain and embodied agents form a sensory-action loop to interact with the world. An important step in the loop is motion planning which selects motor actions based on the current world state and task need. In goal-directed navigation, the brain chooses and generates motor actions to bring the current state into the goal state. It is unclear about the neural circuit mechanism of motor action selection, nor its underlying theory. The present study formulates the motion planning as a Lie group operator search problem, and uses the 1D rotation group as an example to provide insight into general operator search in neural circuits. We found the abstract group operator search can be implemented by a two-layer feedforward circuit utilizing circuit motifs of connection phase shift, nonlinear activation function, and pooling, similar to Drosophila's goal-directed navigation neural circuits. And the computational complexity of the feedforward circuit can be even lower than common signal processing algorithms in certain conditions. We also provide geometric interpretations of circuit computation in the group representation space. The feedforward motion planning circuit is further combined with sensory and motor circuit modules into a full circuit of the sensory-action loop implementing goal-directed navigation. Our work for the first time links the abstract operator search with biological neural circuits.
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In this paper, we introduce YOLA, a novel framework for object detection in low-light scenarios. Unlike previous works, we propose to tackle this challenging problem from the perspective of feature learning. Specifically, we propose to learn illumination-invariant features through the Lambertian image formation model. We observe that, under the Lambertian assumption, it is feasible to approximate illumination-invariant feature maps by exploiting the interrelationships between neighboring color channels and spatially adjacent pixels. By incorporating additional constraints, these relationships can be characterized in the form of convolutional kernels, which can be trained in a detection-driven manner within a network. Towards this end, we introduce a novel module dedicated to the extraction of illumination-invariant features from low-light images, which can be easily integrated into existing object detection frameworks. Our empirical findings reveal significant improvements in low-light object detection tasks, as well as promising results in both well-lit and over-lit scenarios.
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Matrix sketching is a powerful tool for reducing the size of large data matrices. Yet there are fundamental limitations to this size reduction when we want to recover an accurate estimator for a task such as least square regression. We show that these limitations can be circumvented in the distributed setting by designing sketching methods that minimize the bias of the estimator, rather than its error. In particular, we give a sparse sketching method running in optimal space and current matrix multiplication time, which recovers a nearly-unbiased least squares estimator using two passes over the data. This leads to new communication-efficient distributed averaging algorithms for least squares and related tasks, which directly improve on several prior approaches. Our key novelty is a new bias analysis for sketched least squares, giving a sharp characterization of its dependence on the sketch sparsity. The techniques include new higher moment restricted Bai-Silverstein inequalities, which are of independent interest to the non-asymptotic analysis of deterministic equivalents for random matrices that arise from sketching.
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Understanding the Expressivity and Trainability of Fourier Neural Operator: A Mean-Field Perspective
In this paper, we explores the expressivity and trainability of the Fourier Neural Operator (FNO). We establish a mean-field theory for the FNO, analyzing the behavior of the random FNO from an \emph{edge of chaos} perspective. Our investigation into the expressivity of a random FNO involves examining the ordered-chaos phase transition of the network based on the weight distribution. This phase transition demonstrates characteristics unique to the FNO, induced by mode truncation, while also showcasing similarities to those of densely connected networks. Furthermore, we identify a connection between expressivity and trainability: the ordered and chaotic phases correspond to regions of vanishing and exploding gradients, respectively. This finding provides a practical prerequisite for the stable training of the FNO. Our experimental results corroborate our theoretical findings.
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This paper studies a risk minimization problem with decision dependent data distribution. The problem pertains to the performative prediction setting in which a trained model can affect the outcome estimated by the model. Such dependency creates a feedback loop that influences the stability of optimization algorithms such as stochastic gradient descent (SGD). We present the first study on performative prediction with smooth but possibly non-convex loss. We analyze a greedy deployment scheme with SGD (SGD-GD). Note that in the literature, SGD-GD is often studied with strongly convex loss. We first propose the definition of stationary performative stable (SPS) solutions through relaxing the popular performative stable condition. We then prove that SGD-GD converges to a biased SPS solution in expectation. We consider two conditions of sensitivity on the distribution shifts: (i) the sensitivity is characterized by Wasserstein-1 distance and the loss is Lipschitz w.r.t.~data samples, or (ii) the sensitivity is characterized by total variation (TV) divergence and the loss is bounded. In both conditions, the bias levels are proportional to the stochastic gradient's variance and sensitivity level. Our analysis is extended to a lazy deployment scheme where models are deployed once per several SGD updates, and we show that it converges to an SPS solution with reduced bias. Numerical experiments corroborate our theories.
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Image restoration (IR) in real-world scenarios presents significant challenges due to the lack of high-capacity models and comprehensive datasets. To tackle these issues, we present a dual strategy: GenIR, an innovative data curation pipeline, and DreamClear, a cutting-edge Diffusion Transformer (DiT)-based image restoration model. **GenIR**, our pioneering contribution, is a dual-prompt learning pipeline that overcomes the limitations of existing datasets, which typically comprise only a few thousand images and thus offer limited generalizability for larger models. GenIR streamlines the process into three stages: image-text pair construction, dual-prompt based fine-tuning, and data generation \& filtering. This approach circumvents the laborious data crawling process, ensuring copyright compliance and providing a cost-effective, privacy-safe solution for IR dataset construction. The result is a large-scale dataset of one million high-quality images. Our second contribution, **DreamClear**, is a DiT-based image restoration model. It utilizes the generative priors of text-to-image (T2I) diffusion models and the robust perceptual capabilities of multi-modal large language models (MLLMs) to achieve photorealistic restoration. To boost the model's adaptability to diverse real-world degradations, we introduce the Mixture of Adaptive Modulator (MoAM). It employs token-wise degradation priors to dynamically integrate various restoration experts, thereby expanding the range of degradations the model can address. Our exhaustive experiments confirm DreamClear's superior performance, underlining the efficacy of our dual strategy for real-world image restoration. Code and pre-trained models are available at: https://github.com/shallowdream204/DreamClear.
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Maximizing the area under the receiver operating characteristic curve (AUC) is a popular approach to imbalanced binary classification problems. Existing AUC maximization methods usually assume that training and test distributions are identical. However, this assumption is often violated in practice due to {\it a positive distribution shift}, where the negative-conditional density does not change but the positive-conditional density can vary. This shift often occurs in imbalanced classification since positive data are often more diverse and time-varying than negative data. To deal with this shift, we theoretically show that the AUC on the test distribution can be expressed by using the positive and marginal training densities and the marginal test density. Based on this result, we can maximize the AUC on the test distribution by using positive and unlabeled data in the training distribution and unlabeled data in the test distribution. The proposed method requires only positive labels in the training distribution as supervision. Moreover, the derived AUC has a simple form and thus is easy to implement. The effectiveness of the proposed method is shown with four real-world datasets.
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Arbitrary-resolution image generation still remains a challenging task in AIGC, as it requires handling varying resolutions and aspect ratios while maintaining high visual quality. Existing transformer-based diffusion methods suffer from quadratic computation cost and limited resolution extrapolation capabilities, making them less effective for this task. In this paper, we propose FlowDCN, a purely convolution-based generative model with linear time and memory complexity, that can efficiently generate high-quality images at arbitrary resolutions. Equipped with a new design of learnable group-wise deformable convolution block, our FlowDCN yields higher flexibility and capability to handle different resolutions with a single model. FlowDCN achieves the state-of-the-art 4.30 sFID on $256\times256$ ImageNet Benchmark and comparable resolution extrapolation results, surpassing transformer-based counterparts in terms of convergence speed (only $\frac{1}{5}$ images), visual quality, parameters ($8\%$ reduction) and FLOPs ($20\%$ reduction). We believe FlowDCN offers a promising solution to scalable and flexible image synthesis.
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Stochastic compositional optimization (SCO) problem constitutes a class of optimization problems characterized by the objective function with a compositional form, including the tasks with known derivatives, such as AUC maximization, and the derivative-free tasks exemplified by black-box vertical federated learning (VFL). From the learning theory perspective, the learning guarantees of SCO algorithms with known derivatives have been studied in the literature. However, the potential impacts of the derivative-free setting on the learning guarantees of SCO remains unclear and merits further investigation. This paper aims to reveal the impacts by developing a theoretical analysis for two derivative-free algorithms, black-box SCGD and SCSC. Specifically, we first provide the sharper generalization upper bounds of convex SCGD and SCSC based on a new stability analysis framework more effective than prior work under some milder conditions, which is further developed to the non-convex case using the almost co-coercivity property of smooth function. Then, we derive the learning guarantees of three black-box variants of non-convex SCGD and SCSC with additional optimization analysis. Comparing these results, we theoretically uncover the impacts that a better gradient estimation brings a tighter learning guarantee and a larger proportion of unknown gradients may lead to a stronger dependence on the gradient estimation quality. Finally, our analysis is applied to two SCO algorithms, FOO-based vertical VFL and VFL-CZOFO, to build the first learning guarantees for VFL that align with the findings of SCGD and SCSC.
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Many zeroth-order (ZO) optimization algorithms have been developed to solve nonconvex minimax problems in machine learning and computer vision areas. However, existing ZO minimax algorithms have high complexity and rely on some strict restrictive conditions for ZO estimations. To address these issues, we design a new unified ZO gradient descent extragradient ascent (ZO-GDEGA) algorithm, which reduces the overall complexity to $\mathcal{O}(d\epsilon^{-6})$ to find an $\epsilon$-stationary point of the function $\psi$ for nonconvex-concave (NC-C) problems, where $d$ is the variable dimension. To the best of our knowledge, ZO-GDEGA is the first ZO algorithm with complexity guarantees to solve stochastic NC-C problems. Moreover, ZO-GDEGA requires weaker conditions on the ZO estimations and achieves more robust theoretical results. As a by-product, ZO-GDEGA has advantages on the condition number for the NC-strongly concave case. Experimentally, ZO-GDEGA can generate more effective poisoning attack data with an average accuracy reduction of 5\%. The improved AUC performance also verifies the robustness of gradient estimations.
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We study the convergence behavior of a generalized Frank-Wolfe algorithm in constrained (stochastic) monotone variational inequality (MVI) problems. In recent years, there have been numerous efforts to design algorithms for solving constrained MVI problems due to their connections with optimization, machine learning, and equilibrium computation in games. Most work in this domain has focused on extensions of simultaneous gradient play, with particular emphasis on understanding the convergence properties of extragradient and optimistic gradient methods. In contrast, we examine the performance of an algorithm from another well-known class of optimization algorithms: Frank-Wolfe. We show that a generalized variant of this algorithm achieves a fast $\mathcal{O}(T^{-1/2})$ last-iterate convergence rate in constrained MVI problems. By drawing connections between our generalized Frank-Wolfe algorithm and the well-known smoothed fictitious play (FP) from game theory, we also derive a finite-sample convergence rate for smoothed FP in zero-sum matrix games. Furthermore, we demonstrate that a stochastic variant of the generalized Frank-Wolfe algorithm for MVI problems also converges in a last-iterate sense, albeit at a slower $\mathcal{O}(T^{-1/6})$ convergence rate.
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Data balancing across multiple modalities and sources appears in various forms in foundation models in machine learning and AI, e.g., in CLIP and DINO. We show that data balancing across modalities and sources actually offers an unsuspected benefit: variance reduction. We present a non-asymptotic statistical bound that quantifies this variance reduction effect and relates it to the eigenvalue decay of Markov operators. Furthermore, we describe how various forms of data balancing in contrastive multimodal learning and self-supervised clustering can be better understood, and even improved upon, owing to our variance reduction viewpoint.
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In multi-output regression, we identify a previously neglected challenge that arises from the inability of training distribution to cover all combinations of input features, leading to combinatorial distribution shift (CDS). To the best of our knowledge, this is the first work to formally define and address this problem. We tackle it through a novel tensor decomposition perspective, proposing the Functional t-Singular Value Decomposition (Ft-SVD) theorem which extends the classical tensor SVD to infinite and continuous feature domains, providing a natural tool for representing and analyzing multi-output functions. Within the Ft-SVD framework, we formulate the multi-output regression problem under CDS as a low-rank tensor estimation problem under the missing not at random (MNAR) setting, and introduce a series of assumptions about the true functions, training and testing distributions, and spectral properties of the ground-truth embeddings, making the problem more tractable. To address the challenges posed by CDS in multi-output regression, we develop a tailored Double-Stage Empirical Risk Minimization (ERM-DS) algorithm that leverages the spectral properties of the embeddings and uses specific hypothesis classes in each frequency component to better capture the varying spectral decay patterns. We provide rigorous theoretical analyses that establish performance guarantees for the ERM-DS algorithm. This work lays a preliminary theoretical foundation for multi-output regression under CDS.
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A primary challenge for visual-based Reinforcement Learning (RL) is to generalize effectively across unseen environments. Although previous studies have explored different auxiliary tasks to enhance generalization, few adopt image reconstruction due to concerns about exacerbating overfitting to task-irrelevant features during training. Perceiving the pre-eminence of image reconstruction in representation learning, we propose SMG (\blue{S}eparated \blue{M}odels for \blue{G}eneralization), a novel approach that exploits image reconstruction for generalization. SMG introduces two model branches to extract task-relevant and task-irrelevant representations separately from visual observations via cooperatively reconstruction. Built upon this architecture, we further emphasize the importance of task-relevant features for generalization. Specifically, SMG incorporates two additional consistency losses to guide the agent's focus toward task-relevant areas across different scenarios, thereby achieving free from overfitting. Extensive experiments in DMC demonstrate the SOTA performance of SMG in generalization, particularly excelling in video-background settings. Evaluations on robotic manipulation tasks further confirm the robustness of SMG in real-world applications. Source code is available at \url{https://anonymous.4open.science/r/SMG/}.
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Diffusion models (DMs) have recently shown outstanding capabilities in modeling complex image distributions, making them expressive image priors for solving Bayesian inverse problems. However, most existing DM-based methods rely on approximations in the generative process to be generic to different inverse problems, leading to inaccurate sample distributions that deviate from the target posterior defined within the Bayesian framework. To harness the generative power of DMs while avoiding such approximations, we propose a Markov chain Monte Carlo algorithm that performs posterior sampling for general inverse problems by reducing it to sampling the posterior of a Gaussian denoising problem. Crucially, we leverage a general DM formulation as a unified interface that allows for rigorously solving the denoising problem with a range of state-of-the-art DMs. We demonstrate the effectiveness of the proposed method on six inverse problems (three linear and three nonlinear), including a real-world black hole imaging problem. Experimental results indicate that our proposed method offers more accurate reconstructions and posterior estimation compared to existing DM-based imaging inverse methods.
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Open-set Classification (OSC) is a critical requirement for safely deploying machine learning models in the open world, which aims to classify samples from known classes and reject samples from out-of-distribution (OOD). Existing methods exploit the feature space of trained network and attempt at estimating the uncertainty in the predictions. However, softmax-based neural networks are found to be overly confident in their predictions even on data they have never seen before and the immense diversity of the OOD examples also makes such methods fragile. To this end, we follow the idea of estimating the underlying density of the training data to decide whether a given input is close to the in-distribution (IND) data and adopt Energy-based models (EBMs) as density estimators. A novel energy-based generative open-set node classification method, \textit{EGonc}, is proposed to achieve open-set graph learning. Specifically, we generate substitute unknowns to mimic the distribution of real open-set samples firstly, based on the information of graph structures. Then, an additional energy logit representing the virtual OOD class is learned from the residual of the feature against the principal space, and matched with the original logits by a constant scaling. This virtual logit serves as the indicator of OOD-ness. EGonc has nice theoretical properties that guarantee an overall distinguishable margin between the detection scores for IND and OOD samples. Comprehensive experimental evaluations of EGonc also demonstrate its superiority.
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The task of layout-to-image generation involves synthesizing images based on the captions of objects and their spatial positions. Existing methods still struggle in complex layout generation, where common bad cases include object missing, inconsistent lighting, conflicting view angles, etc. To effectively address these issues, we propose a \textbf{Hi}erarchical \textbf{Co}ntrollable (HiCo) diffusion model for layout-to-image generation, featuring object seperable conditioning branch structure. Our key insight is to achieve spatial disentanglement through hierarchical modeling of layouts. We use a multi branch structure to represent hierarchy and aggregate them in fusion module. To evaluate the performance of multi-objective controllable layout generation in natural scenes, we introduce the HiCo-7K benchmark, derived from the GRIT-20M dataset and manually cleaned. https://github.com/360CVGroup/HiCo_T2I.
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Subsampling is effective in tackling computational challenges for massive data with rare events. Overly aggressive subsampling may adversely affect estimation efficiency, and optimal subsampling is essential to mitigate the information loss. However, existing optimal subsampling probabilities depends on data scales, and some scaling transformations may result in inefficient subsamples. This problem is more significant when there are inactive features, because their influence on the subsampling probabilities can be arbitrarily magnified by inappropriate scaling transformations. We tackle this challenge and introduce a scale-invariant optimal subsampling function in the context of sparse models, where inactive features are commonly assumed. Instead of focusing on estimating model parameters, we define an optimal subsampling function to minimize the prediction error, using adaptive lasso as an example to outline the estimation procedure and study its theoretical guarantee. We first introduce the adaptive lasso estimator for rare-events data and establish its oracle properties, thereby validating the use of subsampling. Then we derive a scale-invariant optimal subsampling function that minimizes the prediction error of the inverse probability weighted (IPW) adaptive lasso. Finally, we present an estimator based on the maximum sampled conditional likelihood (MSCL) to further improve the estimation efficiency. We conduct numerical experiments using both simulated and real-world data sets to demonstrate the performance of the proposed methods.
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The training of score-based diffusion models (SDMs) is based on score matching. The challenge of score matching is that it includes a computationally expensive Jacobian trace. While several methods have been proposed to avoid this computation, each has drawbacks, such as instability during training and approximating the learning as learning a denoising vector field rather than a true score. We propose a novel score matching variant, local curvature smoothing with Stein's identity (LCSS). The LCSS bypasses the Jacobian trace by applying Stein's identity, enabling regularization effectiveness and efficient computation. We show that LCSS surpasses existing methods in sample generation performance and matches the performance of denoising score matching, widely adopted by most SDMs, in evaluations such as FID, Inception score, and bits per dimension. Furthermore, we show that LCSS enables realistic image generation even at a high resolution of $1024 \times 1024$.
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In this paper, we introduce Cosine Autoencoder (CosAE), a novel, generic Autoencoder that seamlessly leverages the classic Fourier series with a feed-forward neural network. CosAE represents an input image as a series of 2D Cosine time series, each defined by a tuple of learnable frequency and Fourier coefficients. This method stands in contrast to a conventional Autoencoder that often sacrifices detail in their reduced-resolution bottleneck latent spaces. CosAE, however, encodes frequency coefficients, i.e., the amplitudes and phases, in its bottleneck. This encoding enables extreme spatial compression, e.g., $64\times$ downsampled feature maps in the bottleneck, without losing detail upon decoding. We showcase the advantage of CosAE via extensive experiments on flexible-resolution super-resolution and blind image restoration, two highly challenging tasks that demand the restoration network to effectively generalize to complex and even unknown image degradations. Our method surpasses state-of-the-art approaches, highlighting its capability to learn a generalizable representation for image restoration. The project page is maintained at [https://sifeiliu.net/CosAE-page/](https://sifeiliu.net/CosAE-page/).
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Large Language Model Multi-Agent Systems (LLM-MAS) have greatly progressed in solving complex tasks. It communicates among agents within the system to collaboratively solve tasks, under the premise of shared information. However, when agents' collaborations are leveraged to perform multi-person tasks, a new challenge arises due to information asymmetry, since each agent can only access the information of its human user. Previous MAS struggle to complete tasks under this condition. To address this, we propose a new MAS paradigm termed iAgents, which denotes Informative Multi-Agent Systems. In iAgents, the human social network is mirrored in the agent network, where agents proactively exchange human information necessary for task resolution, thereby overcoming information asymmetry. iAgents employs a novel agent reasoning mechanism, InfoNav, to navigate agents' communication towards effective information exchange. Together with InfoNav, iAgents organizes human information in a mixed memory to provide agents with accurate and comprehensive information for exchange. Additionally, we introduce InformativeBench, the first benchmark tailored for evaluating LLM agents' task-solving ability under information asymmetry. Experimental results show that iAgents can collaborate within a social network of 140 individuals and 588 relationships, autonomously communicate over 30 turns, and retrieve information from nearly 70,000 messages to complete tasks within 3 minutes.
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We consider the problem of active learning on graphs for node-level tasks, which has crucial applications in many real-world networks where labeling node responses is expensive. In this paper, we propose an offline active learning method that selects nodes to query by explicitly incorporating information from both the network structure and node covariates. Building on graph signal recovery theories and the random spectral sparsification technique, the proposed method adopts a two-stage biased sampling strategy that takes both informativeness and representativeness into consideration for node querying. Informativeness refers to the complexity of graph signals that are learnable from the responses of queried nodes, while representativeness refers to the capacity of queried nodes to control generalization errors given noisy node-level information. We establish a theoretical relationship between generalization error and the number of nodes selected by the proposed method. Our theoretical results demonstrate the trade-off between Informativeness and representativeness in active learning. Extensive numerical experiments show that the proposed method is competitive with existing graph-based active learning methods, especially when node covariates and responses contain noises. Additionally, the proposed method is applicable to both regression and classification tasks on graphs.
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Rendering and reconstruction are long-standing topics in computer vision and graphics. Achieving both high rendering quality and accurate geometry is a challenge. Recent advancements in 3D Gaussian Splatting (3DGS) have enabled high-fidelity novel view synthesis at real-time speeds. However, the noisy and discrete nature of 3D Gaussian primitives hinders accurate surface estimation. Previous attempts to regularize 3D Gaussian normals often degrade rendering quality due to the fundamental disconnect between normal vectors and the rendering pipeline in 3DGS-based methods. Therefore, we introduce Normal-GS, a novel approach that integrates normal vectors into the 3DGS rendering pipeline. The core idea is to model the interaction between normals and incident lighting using the physically-based rendering equation. Our approach re-parameterizes surface colors as the product of normals and a designed Integrated Directional Illumination Vector (IDIV). To optimize memory usage and simplify optimization, we employ an anchor-based 3DGS to implicitly encode locally-shared IDIVs. Additionally, Normal-GS leverages optimized normals and Integrated Directional Encoding (IDE) to accurately model specular effects, enhancing both rendering quality and surface normal precision. Extensive experiments demonstrate that Normal-GS achieves near state-of-the-art visual quality while obtaining accurate surface normals and preserving real-time rendering performance.
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We consider the penalized distributionally robust optimization (DRO) problem with a closed, convex uncertainty set, a setting that encompasses learning using $f$-DRO and spectral/$L$-risk minimization. We present Drago, a stochastic primal-dual algorithm which combines cyclic and randomized components with a carefully regularized primal update to achieve dual variance reduction. Owing to its design, Drago enjoys a state-of-the-art linear convergence rate on strongly convex-strongly concave DRO problems witha fine-grained dependency on primal and dual condition numbers. The theoretical results are supported with numerical benchmarks on regression and classification tasks.
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Traditional information theory provides a valuable foundation for Reinforcement Learning (RL), particularly through representation learning and entropy maximiza tion for agent exploration. However, existing methods primarily concentrate on modeling the uncertainty associated with RL’s random variables, neglecting the in herent structure within the state and action spaces. In this paper, we propose a novel Structural Information principles-based Effective Exploration framework, namely SI2E. Structural mutual information between two variables is defined to address the single-variable limitation in structural information, and an innovative embedding principle is presented to capture dynamics-relevant state-action representations. The SI2E analyzes value differences in the agent’s policy between state-action pairs and minimizes structural entropy to derive the hierarchical state-action struc ture, referred to as the encoding tree. Under this tree structure, value-conditional structural entropy is defined and maximized to design an intrinsic reward mechanism that avoids redundant transitions and promotes enhanced coverage in the state-action space. Theoretical connections are established between SI2E and classical information-theoretic methodologies, highlighting our framework’s rationality and advantage. Comprehensive evaluations in the MiniGrid, MetaWorld, and DeepMind Control Suite benchmarks demonstrate that SI2E significantly outperforms state-of-the-art exploration baselines regarding final performance and sample efficiency, with maximum improvements of 37.63% and 60.25%, respectively.
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Federated Instruction Tuning (FIT) advances collaborative training on decentralized data, crucially enhancing model's capability and safeguarding data privacy. However, existing FIT methods are dedicated to handling data heterogeneity across different clients (i.e., client-aware data heterogeneity), while ignoring the variation between data from different domains (i.e., domain-aware data heterogeneity). When scarce data needs supplementation from related fields, these methods lack the ability to handle domain heterogeneity in cross-domain training. This leads to domain-information catastrophic forgetting in collaborative training and therefore makes model perform sub-optimally on the individual domain. To address this issue, we introduce DoFIT, a new Domain-aware FIT framework that alleviates catastrophic forgetting through two new designs. First, to reduce interference information from the other domain, DoFIT finely aggregates overlapping weights across domains on the inter-domain server side. Second, to retain more domain information, DoFIT initializes intra-domain weights by incorporating inter-domain information into a less-conflicted parameter space. Experimental results on diverse datasets consistently demonstrate that DoFIT excels in cross-domain collaborative training and exhibits significant advantages over conventional FIT methods in alleviating catastrophic forgetting. Code is available at [this link](https://github.com/1xbq1/DoFIT).
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As one of the most fundamental non-convex learning problems, ReLU regression under differential privacy (DP) constraints, especially in high-dimensional settings, remains a challenging area in privacy-preserving machine learning. Existing results are limited to the assumptions of bounded norm $ \|\mathbf{x}\|_2 \leq 1$, which becomes meaningless with increasing data dimensionality. In this work, we revisit the problem of DP ReLU regression in high-dimensional regimes. We propose two innovative algorithms DP-GLMtron and DP-TAGLMtron that outperform the conventional DPSGD. DP-GLMtron is based on a generalized linear model perceptron approach, integrating adaptive clipping and Gaussian mechanism for enhanced privacy. To overcome the constraints of small privacy budgets in DP-GLMtron, represented by $\widetilde{O}(\sqrt{1/N})$ where $N$ is the sample size, we introduce DP-TAGLMtron, which utilizes a tree aggregation protocol to balance privacy and utility effectively, showing that DP-TAGLMtron achieves comparable performance with only an additional factor of $O(\log N)$ in the utility upper bound. Moreover, our theoretical analysis extends beyond Gaussian-like data distributions to settings with eigenvalue decay, showing how data distribution impacts learning in high dimensions. Notably, our findings suggest that the utility upper bound could be independent of the dimension $d$, even when $d \gg N$. Experiments on synthetic and real-world datasets also validate our results.
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Data augmentation creates new data points by transforming the original ones for an reinforcement learning (RL) agent to learn from, which has been shown to be effective for the objective of improving data efficiency of RL for continuous control. Prior work towards this objective has been largely restricted to perturbation-based data augmentation where new data points are created by perturbing the original ones, which has been impressively effective for tasks where the RL agent observe control states as images with perturbations including random cropping, shifting, etc. This work focuses on state-based control, where the RL agent can directly observe raw kinematic and task features, and considers an alternative data augmentation applied to these features based on Euclidean symmetries under transformations like rotations. We show that the default state features used in exiting benchmark tasks that are based on joint configurations are not amenable to Euclidean transformations. We therefore advocate using state features based on configurations of the limbs (i.e., rigid bodies connected by joints) that instead provides rich augmented data under Euclidean transformations. With minimal hyperparameter tuning, we show this new Euclidean data augmentation strategy significantly improve both data efficiency and asymptotic performance of RL on a wide range of continuous control tasks.
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This paper studies simple bilevel problems, where a convex upper-level function is minimized over the optimal solutions of a convex lower-level problem. We first show the fundamental difficulty of simple bilevel problems, that the approximate optimal value of such problems is not obtainable by first-order zero-respecting algorithms. Then we follow recent works to pursue the weak approximate solutions. For this goal, we propose novel near-optimal methods for smooth and nonsmooth problems by reformulating them into functionally constrained problems.
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Model quantification uses low bit-width values to represent the weight matrices of existing models to be quantized, which is a promising approach to reduce both storage and computational overheads of deploying highly anticipated LLMs. However, current quantization methods suffer severe performance degradation when the bit-width is extremely reduced, and thus focus on utilizing 4-bit or 8-bit values to quantize models. This paper boldly quantizes the weight matrices of LLMs to 1-bit, paving the way for the extremely low bit-width deployment of LLMs. For this target, we introduce a 1-bit model compressing framework named OneBit, including a novel 1-bit parameter representation method to better quantize LLMs as well as an effective parameter initialization method based on matrix decomposition to improve the convergence speed of the quantization framework. Sufficient experimental results indicate that OneBit achieves good performance (at least 81% of the non-quantized performance on LLaMA models) with robust training processes when only using 1-bit weight matrices.
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Vector Symbolic Architectures (VSAs) are one approach to developing Neuro-symbolic AI, where two vectors in $\mathbb{R}^d$ are 'bound' together to produce a new vector in the same space. VSAs support the commutativity and associativity of this binding operation, along with an inverse operation, allowing one to construct symbolic-style manipulations over real-valued vectors. Most VSAs were developed before deep learning and automatic differentiation became popular and instead focused on efficacy in hand-designed systems. In this work, we introduce the Hadamard-derived linear Binding (HLB), which is designed to have favorable computational efficiency, and efficacy in classic VSA tasks, and perform well in differentiable systems.
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We propose a new method named LoD-Loc for visual localization in the air. Unlike existing localization algorithms, LoD-Loc does not rely on complex 3D representations and can estimate the pose of an Unmanned Aerial Vehicle (UAV) using a Level-of-Detail (LoD) 3D map. LoD-Loc mainly achieves this goal by aligning the wireframe derived from the LoD projected model with that predicted by the neural network. Specifically, given a coarse pose provided by the UAV sensor, LoD-Loc hierarchically builds a cost volume for uniformly sampled pose hypotheses to describe pose probability distribution and select a pose with maximum probability. Each cost within this volume measures the degree of line alignment between projected and predicted wireframes. LoD-Loc also devises a 6-DoF pose optimization algorithm to refine the previous result with a differentiable Gaussian-Newton method. As no public dataset exists for the studied problem, we collect two datasets with map levels of LoD3.0 and LoD2.0, along with real RGB queries and ground-truth pose annotations. We benchmark our method and demonstrate that LoD-Loc achieves excellent performance, even surpassing current state-of-the-art methods that use textured 3D models for localization. The code and dataset will be made available upon publication.
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Spiking neural networks (SNNs), inspired by biological processes, use spike signals for inter-layer communication, presenting an energy-efficient alternative to traditional neural networks. To realize the theoretical advantages of SNNs in energy efficiency, it is essential to deploy them onto neuromorphic chips. On clock-driven synchronous chips, employing shorter time steps can enhance energy efficiency but reduce SNN performance. Compared to the clock-driven synchronous chip, the event-driven asynchronous chip achieves much lower energy consumption but only supports some specific network operations. Recently, a series of SNN projects have achieved tremendous success, significantly improving the SNN's performance. However, event-driven asynchronous chips do not support some of the proposed structures, making it impossible to integrate these SNNs into asynchronous hardware. In response to these problems, we propose the Spiking Token Mixer (STMixer) architecture, which consists exclusively of operations supported by asynchronous scenarios, including convolutional, fully connected layers and residual paths. Our series of experiments also demonstrates that STMixer achieves performance on par with spiking transformers in synchronous scenarios with very low timesteps. This indicates its ability to achieve the same level of performance with lower power consumption in synchronous scenarios. The codes are available at \url{https://github.com/brain-intelligence-lab/STMixer_demo}.
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In the Integrated Circuit (IC) design flow, floorplanning (FP) determines the position and shape of each block. Serving as a prototype for downstream tasks, it is critical and establishes the upper bound of the final PPA (Power, Performance, Area). However, with the emergence of 3D IC with stacked layers, existing methods are not flexible enough to handle the versatile constraints. Besides, they typically face difficulties in aligning the cross-die modules in 3D ICs due to their heuristic representations, which could potentially result in severe data transfer failures. To address these issues, we propose FlexPlanner, a flexible learning-based method in hybrid action space with multi-modality representation to simultaneously handle position, aspect ratio, and alignment of blocks. To our best knowledge, FlexPlanner is the first learning-based approach to discard heuristic-based search in the 3D FP task. Thus, the solution space is not limited by the heuristic floorplanning representation, allowing for significant improvements in both wirelength and alignment scores. Specifically, FlexPlanner models 3D FP based on multi-modalities, including vision, graph, and sequence. To address the non-trivial heuristic-dependent issue, we design a sophisticated policy network with hybrid action space and asynchronous layer decision mechanism that allow for determining the versatile properties of each block. Experiments on public benchmarks MCNC and GSRC show the effectiveness. We significantly improve the alignment score from 0.474 to 0.940 and achieve an average reduction of 16% in wirelength. Moreover, our method also demonstrates zero-shot transferability on unseen circuits.
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To foster trust in machine learning models, explanations must be faithful and stable for consistent insights. Existing relevant works rely on the $\ell_p$ distance for stability assessment, which diverges from human perception. Besides, existing adversarial training (AT) associated with intensive computations may lead to an arms race. To address these challenges, we introduce a novel metric to assess the stability of top-$k$ salient features. We introduce R2ET which trains for stable explanation by efficient and effective regularizer, and analyze R2ET by multi-objective optimization to prove numerical and statistical stability of explanations. Moreover, theoretical connections between R2ET and certified robustness justify R2ET's stability in all attacks. Extensive experiments across various data modalities and model architectures show that R2ET achieves superior stability against stealthy attacks, and generalizes effectively across different explanation methods. The code can be found at https://github.com/ccha005/R2ET.
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Scene graph generation (SGG) analyzes images to extract meaningful information about objects and their relationships. In the dynamic visual world, it is crucial for AI systems to continuously detect new objects and establish their relationships with existing ones. Recently, numerous studies have focused on continual learning within the domains of object detection and image recognition. However, a limited amount of research focuses on a more challenging continual learning problem in SGG. This increased difficulty arises from the intricate interactions and dynamic relationships among objects, and their associated contexts. Thus, in continual learning, SGG models are often required to expand, modify, retain, and reason scene graphs within the process of adaptive visual scene understanding. To systematically explore Continual Scene Graph Generation (CSEGG), we present a comprehensive benchmark comprising three learning regimes: relationship incremental, scene incremental, and relationship generalization. Moreover, we introduce a ``Replays via Analysis by Synthesis" method named RAS. This approach leverages the scene graphs, decomposes and re-composes them to represent different scenes, and replays the synthesized scenes based on these compositional scene graphs. The replayed synthesized scenes act as a means to practice and refine proficiency in SGG in known and unknown environments. Our experimental results not only highlight the challenges of directly combining existing continual learning methods with SGG backbones but also demonstrate the effectiveness of our proposed approach, enhancing CSEGG efficiency while simultaneously preserving privacy and memory usage. All data and source code will be made public.
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In this paper, we address the challenges of offline reinforcement learning (RL) under model mismatch, where the agent aims to optimize its performance through an offline dataset that may not accurately represent the deployment environment. We identify two primary challenges under the setting: inaccurate model estimation due to limited data and performance degradation caused by the model mismatch between the dataset-collecting environment and the target deployment one. To tackle these issues, we propose a unified principle of pessimism using distributionally robust Markov decision processes. We carefully construct a robust MDP with a single uncertainty set to tackle both data sparsity and model mismatch, and demonstrate that the optimal robust policy enjoys a near-optimal sub-optimality gap under the target environment across three widely used uncertainty models: total variation, $\chi^2$ divergence, and KL divergence. Our results improve upon or match the state-of-the-art performance under the total variation and KL divergence models, and provide the first result for the $\chi^2$ divergence model.
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Most incremental learners excessively prioritize object classes while neglecting various kinds of states (e.g. color and material) attached to the objects. As a result, they are limited in the ability to model state-object compositionality accurately. To remedy this limitation, we propose a novel task called Compositional Incremental Learning (composition-IL), which enables the model to recognize a variety of state-object compositions in an incremental learning fashion. Since the lack of suitable datasets, we re-organize two existing datasets and make them tailored for composition-IL. Then, we propose a prompt-based Composition Incremental Learner (CompILer), to overcome the ambiguous composition boundary. Specifically, we exploit multi-pool prompt learning, and ensure the inter-pool prompt discrepancy and intra-pool prompt diversity. Besides, we devise object-injected state prompting which injects object prompts to guide the selection of state prompts. Furthermore, we fuse the selected prompts by a generalized-mean strategy, to eliminate irrelevant information learned in the prompts. Extensive experiments on two datasets exhibit state-of-the-art performance achieved by CompILer. Code and datasets are available at: https://github.com/Yanyi-Zhang/CompILer.
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Anomaly detection is widely used for identifying critical errors and suspicious behaviors, but current methods lack interpretability. We leverage common properties of existing methods and recent advances in generative models to introduce counterfactual explanations for anomaly detection. Given an input, we generate its counterfactual as a diffusion-based repair that shows what a non-anomalous version $\textit{should have looked like}$. A key advantage of this approach is that it enables a domain-independent formal specification of explainability desiderata, offering a unified framework for generating and evaluating explanations. We demonstrate the effectiveness of our anomaly explainability framework, AR-Pro, on vision (MVTec, VisA) and time-series (SWaT, WADI, HAI) anomaly datasets. The code used for the experiments is accessible at: https://github.com/xjiae/arpro.
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Recent studies developed jailbreaking attacks, which construct jailbreaking prompts to "fool" LLMs into responding to harmful questions. Early-stage jailbreaking attacks require access to model internals or significant human efforts. More advanced attacks utilize genetic algorithms for automatic and black-box attacks. However, the random nature of genetic algorithms significantly limits the effectiveness of these attacks. In this paper, we propose RLbreaker, a black-box jailbreaking attack driven by deep reinforcement learning (DRL). We model jailbreaking as a search problem and design an RL agent to guide the search, which is more effective and has less randomness than stochastic search, such as genetic algorithms. Specifically, we design a customized DRL system for the jailbreaking problem, including a novel reward function and a customized proximal policy optimization (PPO) algorithm. Through extensive experiments, we demonstrate that RLbreaker is much more effective than existing jailbreaking attacks against six state-of-the-art (SOTA) LLMs. We also show that RLbreaker is robust against three SOTA defenses and its trained agents can transfer across different LLMs. We further validate the key design choices of RLbreaker via a comprehensive ablation study.
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Incorporating inductive bias by embedding geometric entities (such as rays) as input has proven successful in multi-view learning. However, the methods adopting this technique typically lack equivariance, which is crucial for effective 3D learning. Equivariance serves as a valuable inductive prior, aiding in the generation of robust multi-view features for 3D scene understanding. In this paper, we explore the application of equivariant multi-view learning to depth estimation, not only recognizing its significance for computer vision and robotics but also addressing the limitations of previous research. Most prior studies have either overlooked equivariance in this setting or achieved only approximate equivariance through data augmentation, which often leads to inconsistencies across different reference frames. To address this issue, we propose to embed $SE(3)$ equivariance into the Perceiver IO architecture. We employ Spherical Harmonics for positional encoding to ensure 3D rotation equivariance, and develop a specialized equivariant encoder and decoder within the Perceiver IO architecture. To validate our model, we applied it to the task of stereo depth estimation, achieving state of the art results on real-world datasets without explicit geometric constraints or extensive data augmentation.
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Recent studies on deep ensembles have identified the sharpness of the local minima of individual learners and the diversity of the ensemble members as key factors in improving test-time performance. Building on this, our study investigates the interplay between sharpness and diversity within deep ensembles, illustrating their crucial role in robust generalization to both in-distribution (ID) and out-of-distribution (OOD) data. We discover a trade-off between sharpness and diversity: minimizing the sharpness in the loss landscape tends to diminish the diversity of individual members within the ensemble, adversely affecting the ensemble's improvement. The trade-off is justified through our rigorous theoretical analysis and verified empirically through extensive experiments. To address the issue of reduced diversity, we introduce SharpBalance, a novel training approach that balances sharpness and diversity within ensembles. Theoretically, we show that our training strategy achieves a better sharpness-diversity trade-off. Empirically, we conducted comprehensive evaluations in various data sets (CIFAR-10, CIFAR-100, TinyImageNet) and showed that SharpBalance not only effectively improves the sharpness-diversity trade-off but also significantly improves ensemble performance in ID and OOD scenarios.
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Designing a fast and effective entropy model is challenging but essential for practical application of neural codecs. Beyond spatial autoregressive entropy models, more efficient backward adaptation-based entropy models have been recently developed. They not only reduce decoding time by using smaller number of modeling steps but also maintain or even improve rate--distortion performance by leveraging more diverse contexts for backward adaptation. Despite their significant progress, we argue that their performance has been limited by the simple adoption of the design convention for forward adaptation: using only a single type of hyper latent representation, which does not provide sufficient contextual information, especially in the first modeling step. In this paper, we propose a simple yet effective entropy modeling framework that leverages sufficient contexts for forward adaptation without compromising on bit-rate. Specifically, we introduce a strategy of diversifying hyper latent representations for forward adaptation, i.e., using two additional types of contexts along with the existing single type of context. In addition, we present a method to effectively use the diverse contexts for contextualizing the current elements to be encoded/decoded. By addressing the limitation of the previous approach, our proposed framework leads to significant performance improvements. Experimental results on popular datasets show that our proposed framework consistently improves rate-distortion performance across various bit-rate regions, e.g., 3.73\% BD-rate gain over the state-of-the-art baseline on the Kodak dataset.
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Recent advances in immunology and synthetic biology have accelerated the development of deep generative methods for DNA sequence design. Two dominant approaches in this field are AutoRegressive (AR) models and Diffusion Models (DMs). However, genomic sequences are functionally heterogeneous, consisting of multiple connected regions (e.g., Promoter Regions, Exons, and Introns) where elements within each region come from the same probability distribution, but the overall sequence is non-homogeneous. This heterogeneous nature presents challenges for a single model to accurately generate genomic sequences. In this paper, we analyze the properties of AR models and DMs in heterogeneous genomic sequence generation, pointing out crucial limitations in both methods: (i) AR models capture the underlying distribution of data by factorizing and learning the transition probability but fail to capture the global property of DNA sequences. (ii) DMs learn to recover the global distribution but tend to produce errors at the base pair level. To overcome the limitations of both approaches, we propose a post-training sampling method, termed Absorb & Escape (A&E) to perform compositional generation from AR models and DMs. This approach starts with samples generated by DMs and refines the sample quality using an AR model through the alternation of the Absorb and Escape steps. To assess the quality of generated sequences, we conduct extensive experiments on 15 species for conditional and unconditional DNA generation. The experiment results from motif distribution, diversity checks, and genome integration tests unequivocally show that A&E outperforms state-of-the-art AR models and DMs in genomic sequence generation. A&E does not suffer from the slowness of traditional MCMC to sample from composed distributions with Energy-Based Models whilst it obtains higher quality samples than single models. Our research sheds light on the limitations of current single-model approaches in DNA generation and provides a simple but effective solution for heterogeneous sequence generation. Code is available at the [Github Repo](https://github.com/Zehui127/Absorb-Escape).
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The growing popularity of transfer learning due to the availability of models pre-trained on vast amounts of data, makes it imperative to understand when the knowledge of these pre-trained models can be transferred to obtain high-performing models on downstream target tasks. However, the exact conditions under which transfer learning succeeds in a cross-domain cross-task setting are still poorly understood. To bridge this gap, we propose a novel analysis that analyzes the transferability of the representations of pre-trained models to downstream tasks in terms of their relatedness to a given reference task. Our analysis leads to an upper bound on transferability in terms of task-relatedness, quantified using the difference between the class priors, label sets, and features of the two tasks.Our experiments using state-of-the-art pre-trained models show the effectiveness of task-relatedness in explaining transferability on various vision and language tasks. The efficient computability of task-relatedness even without labels of the target task and its high correlation with the model's accuracy after end-to-end fine-tuning on the target task makes it a useful metric for transferability estimation. Our empirical results of using task-relatedness on the problem of selecting the best pre-trained model from a model zoo for a target task highlight its utility for practical problems.
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Transformer-based trajectory optimization methods have demonstrated exceptional performance in offline Reinforcement Learning (offline RL). Yet, it poses challenges due to substantial parameter size and limited scalability, which is particularly critical in sequential decision-making scenarios where resources are constrained such as in robots and drones with limited computational power. Mamba, a promising new linear-time sequence model, offers performance on par with transformers while delivering substantially fewer parameters on long sequences. As it remains unclear whether Mamba is compatible with trajectory optimization, this work aims to conduct comprehensive experiments to explore the potential of Decision Mamba (dubbed DeMa) in offline RL from the aspect of data structures and essential components with the following insights: (1) Long sequences impose a significant computational burden without contributing to performance improvements since DeMa's focus on sequences diminishes approximately exponentially. Consequently, we introduce a Transformer-like DeMa as opposed to an RNN-like DeMa. (2) For the components of DeMa, we identify the hidden attention mechanism as a critical factor in its success, which can also work well with other residual structures and does not require position embedding. Extensive evaluations demonstrate that our specially designed DeMa is compatible with trajectory optimization and surpasses previous methods, outperforming Decision Transformer (DT) with higher performance while using 30\% fewer parameters in Atari, and exceeding DT with only a quarter of the parameters in MuJoCo.
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Pre-trained foundation models, particularly large language models, have achieved remarkable success and led to massive fine-tuned variants. These models are commonly fine-tuned locally and then uploaded by users to cloud platforms such as HuggingFace for secure storage. However, the huge model number and their billion-level parameters impose heavy storage overhead for cloud with limited resources. Our empirical and theoretical analysis reveals that most fine-tuned models in cloud have a small difference (delta) from their pre-trained models. To this end, we propose a novel lossless compression scheme FM-Delta specifically for storing massive fine-tuned models in cloud. FM-Delta maps fine-tuned and pre-trained model parameters into integers with the same bits, and entropy codes their integer delta. In this way, cloud only needs to store one uncompressed pre-trained model and other compressed fine-tuned models. Extensive experiments have demonstrated that FM-Delta efficiently reduces cloud storage consumption for massive fine-tuned models by an average of around 50% with only negligible additional time in most end-to-end cases. For example, on up to 10 fine-tuned models in the GPT-NeoX-20B family, FM-Delta reduces the original storage requirement from 423GB to 205GB, significantly saving cloud storage costs.
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Recent work on pruning large language models (LLMs) has shown that one can eliminate a large number of parameters without compromising performance, making pruning a promising strategy to reduce LLM model size. Existing LLM pruning strategies typically assign uniform pruning ratios across layers, limiting overall pruning ability; and recent work on layerwise pruning of LLMs is often based on heuristics that can easily lead to suboptimal performance. In this paper, we leverage Heavy-Tailed Self-Regularization (HT-SR) Theory, in particular the shape of empirical spectral densities (ESDs) of weight matrices, to design improved layerwise pruning ratios for LLMs. Our analysis reveals a wide variability in how well-trained, and thus relatedly how prunable, different layers of an LLM are. Based on this, we propose AlphaPruning, which uses shape metrics to allocate layerwise sparsity ratios in a more theoretically-principled manner. AlphaPruning can be used in conjunction with multiple existing LLM pruning methods. Our empirical results show that AlphaPruning prunes LLaMA-7B to 80% sparsity while maintaining reasonable perplexity, marking a first in the literature on LLMs.
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Neural networks (NN) are extensively studied in cutting-edge soft sensor models due to their feature extraction and function approximation capabilities. Current research into network-based methods primarily focuses on models' offline accuracy. Notably, in industrial soft sensor context, online optimizing stability and interpretability are prioritized, followed by accuracy. This requires a clearer understanding of network's training process. To bridge this gap, we propose a novel NN named the Approximated Orthogonal Projection Unit (AOPU) which has solid mathematical basis and presents superior training stability. AOPU truncates the gradient backpropagation at dual parameters, optimizes the trackable parameters updates, and enhances the robustness of training. We further prove that AOPU attains minimum variance estimation in NN, wherein the truncated gradient approximates the natural gradient. Empirical results on two chemical process datasets clearly show that AOPU outperforms other models in achieving stable convergence, marking a significant advancement in soft sensor field.
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Online Class Incremental Learning (OCIL) aims to train models incrementally, where data arrive in mini-batches, and previous data are not accessible. A major challenge in OCIL is Catastrophic Forgetting, i.e., the loss of previously learned knowledge. Among existing baselines, replay-based methods show competitive results but requires extra memory for storing exemplars, while exemplar-free (i.e., data need not be stored for replay in production) methods are resource friendly but often lack accuracy. In this paper, we propose an exemplar-free approach—Forward-only Online Analytic Learning (F-OAL). Unlike traditional methods, F-OAL does not rely on back-propagation and is forward-only, significantly reducing memory usage and computational time. Cooperating with a pre-trained frozen encoder with Feature Fusion, F-OAL only needs to update a linear classifier by recursive least square. This approach simultaneously achieves high accuracy and low resource consumption. Extensive experiments on bench mark datasets demonstrate F-OAL’s robust performance in OCIL scenarios. Code is available at: https://github.com/liuyuchen-cz/F-OAL
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This paper tackles the challenge of active perception for robotic grasp detection in cluttered environments. Incomplete 3D geometry information can negatively affect the performance of learning-based grasp detection methods, and scanning the scene from multiple views introduces significant time costs. To achieve reliable grasping performance with efficient camera movement, we propose an active grasp detection framework based on the Neural Graspness Field (NGF), which models the scene incrementally and facilitates next-best-view planning. Constructed in real-time as the camera moves, the NGF effectively models the grasp distribution in 3D space by rendering graspness predictions from each view. For next-best-view planning, we aim to reduce the uncertainty of the NGF through a graspness inconsistency-guided policy, selecting views based on discrepancies between NGF outputs and a pre-trained graspness network. Additionally, we present a neural graspness sampling method that decodes graspness values from the NGF to improve grasp pose detection results. Extensive experiments on the GraspNet-1Billion benchmark demonstrate significant performance improvements compared to previous works. Real-world experiments show that our method achieves a superior trade-off between grasping performance and time costs.
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Student cognitive modeling (SCM) is a fundamental task in intelligent education, with applications ranging from personalized learning to educational resource allocation. By exploiting students' response logs, SCM aims to predict their exercise performance as well as estimate knowledge proficiency in a subject. Data mining approaches such as matrix factorization can obtain high accuracy in predicting student performance on exercises, but the knowledge proficiency is unknown or poorly estimated. The situation is further exacerbated if only sparse interactions exist between exercises and students (or knowledge concepts). To solve this dilemma, we root monotonicity (a fundamental psychometric theory on educational assessments) in a co-factorization framework and present an autoencoder-like nonnegative matrix co-factorization (AE-NMCF), which improves the accuracy of estimating the student's knowledge proficiency via an encoder-decoder learning pipeline. The resulting estimation problem is nonconvex with nonnegative constraints. We introduce a projected gradient method based on block coordinate descent with Lipschitz constants and guarantee the method's theoretical convergence. Experiments on several real-world data sets demonstrate the efficacy of our approach in terms of both performance prediction accuracy and knowledge estimation ability, when compared with existing student cognitive models.
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Kernel k-means has been widely studied in machine learning. However, existing kernel k-means methods often ignore the \textit{fairness} issue, which may cause discrimination. To address this issue, in this paper, we propose a novel Fair Kernel K-Means (FKKM) framework. In this framework, we first propose a new fairness regularization term that can lead to a fair partition of data. The carefully designed fairness regularization term has a similar form to the kernel k-means which can be seamlessly integrated into the kernel k-means framework. Then, we extend this method to the multiple kernel setting, leading to a Fair Multiple Kernel K-Means (FMKKM) method. We also provide some theoretical analysis of the generalization error bound, and based on this bound we give a strategy to set the hyper-parameter, which makes the proposed methods easy to use. At last, we conduct extensive experiments on both the single kernel and multiple kernel settings to compare the proposed methods with state-of-the-art methods to demonstrate their effectiveness.
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3D object detection is fundamentally important for various emerging applications, including autonomous driving and robotics. A key requirement for training an accurate 3D object detector is the availability of a large amount of LiDAR-based point cloud data. Unfortunately, labeling point cloud data is extremely challenging, as accurate 3D bounding boxes and semantic labels are required for each potential object. This paper proposes a unified active 3D object detection framework, for greatly reducing the labeling cost of training 3D object detectors. Our framework is based on a novel formulation of submodular optimization, specifically tailored to the problem of active 3D object detection. In particular, we address two fundamental challenges associated with active 3D object detection: data imbalance and the need to cover the distribution of the data, including LiDAR-based point cloud data of varying difficulty levels. Extensive experiments demonstrate that our method achieves state-of-the-art performance with high computational efficiency compared to existing active learning methods. The code is available at [https://github.com/RuiyuM/STONE](https://github.com/RuiyuM/STONE)
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We consider the problem of federated offline reinforcement learning (RL), a scenario under which distributed learning agents must collaboratively learn a high-quality control policy only using small pre-collected datasets generated according to different unknown behavior policies. Na\"{i}vely combining a standard offline RL approach with a standard federated learning approach to solve this problem can lead to poorly performing policies. In response, we develop the Federated Ensemble-Directed Offline Reinforcement Learning Algorithm (FEDORA), which distills the collective wisdom of the clients using an ensemble learning approach. We develop the FEDORA codebase to utilize distributed compute resources on a federated learning platform. We show that FEDORA significantly outperforms other approaches, including offline RL over the combined data pool, in various complex continuous control environments and real-world datasets. Finally, we demonstrate the performance of FEDORA in the real-world on a mobile robot. We provide our code and a video of our experiments at \url{https://github.com/DesikRengarajan/FEDORA}.
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Deep learning-based image stitching pipelines are typically divided into three cascading stages: registration, fusion, and rectangling. Each stage requires its own network training and is tightly coupled to the others, leading to error propagation and posing significant challenges to parameter tuning and system stability. This paper proposes the Simple and Robust Stitcher (SRStitcher), which revolutionizes the image stitching pipeline by simplifying the fusion and rectangling stages into a unified inpainting model, requiring no model training or fine-tuning. We reformulate the problem definitions of the fusion and rectangling stages and demonstrate that they can be effectively integrated into an inpainting task. Furthermore, we design the weighted masks to guide the reverse process in a pre-trained large-scale diffusion model, implementing this integrated inpainting task in a single inference. Through extensive experimentation, we verify the interpretability and generalization capabilities of this unified model, demonstrating that SRStitcher outperforms state-of-the-art methods in both performance and stability.
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We revisit data selection in a modern context of finetuning from a fundamental perspective. Extending the classical wisdom of variance minimization in low dimensions to high-dimensional finetuning, our generalization analysis unveils the importance of additionally reducing bias induced by low-rank approximation. Inspired by the variance-bias tradeoff in high dimensions from the theory, we introduce Sketchy Moment Matching (SkMM), a scalable data selection scheme with two stages. (i) First, the bias is controlled using gradient sketching that explores the finetuning parameter space for an informative low-dimensional subspace $\mathcal{S}$; (ii) then the variance is reduced over $\mathcal{S}$ via moment matching between the original and selected datasets. Theoretically, we show that gradient sketching is fast and provably accurate: selecting $n$ samples by reducing variance over $\mathcal{S}$ preserves the fast-rate generalization $O(\dim(\mathcal{S})/n)$, independent of the parameter dimension. Empirically, we concretize the variance-bias balance via synthetic experiments and demonstrate the effectiveness of SkMM for finetuning in real vision tasks.
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In Deep Reinforcement Learning (RL), it is a challenge to learn representations that do not exhibit catastrophic forgetting or interference in non-stationary environments. Successor Features (SFs) offer a potential solution to this challenge. However, canonical techniques for learning SFs from pixel-level observations often lead to representation collapse, wherein representations degenerate and fail to capture meaningful variations in the data. More recent methods for learning SFs can avoid representation collapse, but they often involve complex losses and multiple learning phases, reducing their efficiency. We introduce a novel, simple method for learning SFs directly from pixels. Our approach uses a combination of a Temporal-difference (TD) loss and a reward prediction loss, which together capture the basic mathematical definition of SFs. We show that our approach matches or outperforms existing SF learning techniques in both 2D (Minigrid) and 3D (Miniworld) mazes, for both single and continual learning scenarios. As well, our technique is efficient, and can reach higher levels of performance in less time than other approaches. Our work provides a new, streamlined technique for learning SFs directly from pixel observations, with no pretraining required.
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Graph regression is a fundamental task that has gained significant attention in various graph learning tasks. However, the inference process is often not easily interpretable. Current explanation techniques are limited to understanding Graph Neural Network (GNN) behaviors in classification tasks, leaving an explanation gap for graph regression models. In this work, we propose a novel explanation method to interpret the graph regression models (XAIG-R). Our method addresses the distribution shifting problem and continuously ordered decision boundary issues that hinder existing methods away from being applied in regression tasks. We introduce a novel objective based on the graph information bottleneck theory (GIB) and a new mix-up framework, which can support various GNNs and explainers in a model-agnostic manner. Additionally, we present a self-supervised learning strategy to tackle the continuously ordered labels in regression tasks. We evaluate our proposed method on three benchmark datasets and a real-life dataset introduced by us, and extensive experiments demonstrate its effectiveness in interpreting GNN models in regression tasks.
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The high-dimensional single index model (SIM), which assumes that the response is independent of the predictors given a linear combination of predictors, has drawn attention due to its flexibility and interpretability, but its efficiency is adversely affected by outlying observations and heavy-tailed distributions. This paper introduces a robust procedure by recasting the SIM into a pseudo-linear model with transformed responses. It relaxes the distributional conditions on random errors from sub-Gaussian to more general distributions and thus it is robust with substantial efficiency gain for heavy-tailed random errors. Under this paradigm, we provide asymptotically honest group inference procedures based on the idea of orthogonalization, which enjoys the feature that it does not require the zero and nonzero coefficients to be well-separated. Asymptotic null distribution and bootstrap implementation are both established. Moreover, we develop a multiple testing procedure for determining if the individual coefficients are relevant simultaneously, and show that it is able to control the false discovery rate asymptotically. Numerical results indicate that the new procedures can be highly competitive among existing methods, especially for heavy-tailed errors.
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The transformative impact of large language models (LLMs) like LLaMA and GPT on natural language processing is countered by their prohibitive computational demands. Pruning has emerged as a pivotal compression strategy, introducing sparsity to enhance both memory and computational efficiency. Yet, traditional global pruning is impractical for LLMs due to scalability issues, while local pruning, despite its efficiency, leads to suboptimal solutions. Addressing these challenges, we propose *SparseLLM*, a novel framework that redefines the global pruning process into manageable, coordinated subproblems, allowing for resource-efficient optimization with global optimality. SparseLLM's approach, which conceptualizes LLMs as a chain of modular functions and leverages auxiliary variables for problem decomposition, not only facilitates a pragmatic application on LLMs but also demonstrates significant performance improvements, particularly in high-sparsity regimes where it surpasses current state-of-the-art methods. Our source code is publicly available at https://github.com/BaiTheBest/SparseLLM.
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As Archimedes famously said, ``Give me a lever long enough and a fulcrum on which to place it, and I shall move the world'', in this study, we propose to use a tiny Language Model (LM), \eg, a Transformer with 67M parameters, to lever much larger Vision-Language Models (LVLMs) with 9B parameters. Specifically, we use this tiny \textbf{Lever-LM} to configure effective in-context demonstration (ICD) sequences to improve the In-Context Learinng (ICL) performance of LVLMs. Previous studies show that diverse ICD configurations like the selection and ordering of the demonstrations heavily affect the ICL performance, highlighting the significance of configuring effective ICD sequences. Motivated by this and by re-considering the the process of configuring ICD sequence, we find this is a mirror process of human sentence composition and further assume that effective ICD configurations may contain internal statistical patterns that can be captured by Lever-LM. Then a dataset with effective ICD sequences is constructed to train Lever-LM. After training, given novel queries, new ICD sequences are configured by the trained Lever-LM to solve vision-language tasks through ICL. Experiments show that these ICD sequences can improve the ICL performance of two LVLMs compared with some strong baselines in Visual Question Answering and Image Captioning, validating that Lever-LM can really capture the statistical patterns for levering LVLMs. The code is available at \url{https://anonymous.4open.science/r/Lever-LM-604A/}.
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We demonstrate a compactness result holding broadly across supervised learning with a general class of loss functions: Any hypothesis class $\mathcal{H}$ is learnable with transductive sample complexity $m$ precisely when all of its finite projections are learnable with sample complexity $m$. We prove that this exact form of compactness holds for realizable and agnostic learning with respect to all proper metric loss functions (e.g., any norm on $\mathbb{R}^d$) and any continuous loss on a compact space (e.g., cross-entropy, squared loss). For realizable learning with improper metric losses, we show that exact compactness of sample complexity can fail, and provide matching upper and lower bounds of a factor of 2 on the extent to which such sample complexities can differ. We conjecture that larger gaps are possible for the agnostic case. Furthermore, invoking the equivalence between sample complexities in the PAC and transductive models (up to lower order factors, in the realizable case) permits us to directly port our results to the PAC model, revealing an almost-exact form of compactness holding broadly in PAC learning.
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To reduce annotation costs, it is common in crowdsourcing to collect only a few noisy labels from different crowd workers for each instance. However, the limited noisy labels restrict the performance of label integration algorithms in inferring the unknown true label for the instance. Recent works have shown that leveraging neighbor instances can help alleviate this problem. Yet, these works all assume that each instance has the same neighborhood size, which defies common sense. To address this gap, we propose a novel label integration algorithm called K-free nearest neighbor (KFNN). In KFNN, the neighborhood size of each instance is automatically determined based on its attributes and noisy labels. Specifically, KFNN initially estimates a Mahalanobis distance distribution from the attribute space to model the relationship between each instance and all classes. This distance distribution is then utilized to enhance the multiple noisy label distribution of each instance. Subsequently, a Kalman filter is designed to mitigate the impact of noise incurred by neighbor instances. Finally, KFNN determines the optimal neighborhood size by the max-margin learning. Extensive experimental results demonstrate that KFNN significantly outperforms all the other state-of-the-art algorithms and exhibits greater robustness in various crowdsourcing scenarios.
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Despite the multifaceted recent advances in interventional causal representation learning (CRL), they primarily focus on the stylized assumption of single-node interventions. This assumption is not valid in a wide range of applications, and generally, the subset of nodes intervened in an interventional environment is *fully unknown*. This paper focuses on interventional CRL under unknown multi-node (UMN) interventional environments and establishes the first identifiability results for *general* latent causal models (parametric or nonparametric) under stochastic interventions (soft or hard) and linear transformation from the latent to observed space. Specifically, it is established that given sufficiently diverse interventional environments, (i) identifiability *up to ancestors* is possible using only *soft* interventions, and (ii) *perfect* identifiability is possible using *hard* interventions. Remarkably, these guarantees match the best-known results for more restrictive single-node interventions. Furthermore, CRL algorithms are also provided that achieve the identifiability guarantees. A central step in designing these algorithms is establishing the relationships between UMN interventional CRL and score functions associated with the statistical models of different interventional environments. Establishing these relationships also serves as constructive proof of the identifiability guarantees.
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We study the convergence rate of first-order methods for rectangular matrix factorization, which is a canonical nonconvex optimization problem. Specifically, given a rank-$r$ matrix $\mathbf{A}\in\mathbb{R}^{m\times n}$, we prove that gradient descent (GD) can find a pair of $\epsilon$-optimal solutions $\mathbf{X}_T\in\mathbb{R}^{m\times d}$ and $\mathbf{Y}_T\in\mathbb{R}^{n\times d}$, where $d\geq r$, satisfying $\lVert\mathbf{X}_T\mathbf{Y}_T^\top-\mathbf{A}\rVert_F\leq\epsilon\lVert\mathbf{A}\rVert_F$ in $T=O(\kappa^2\log\frac{1}{\epsilon})$ iterations with high probability, where $\kappa$ denotes the condition number of $\mathbf{A}$. Furthermore, we prove that Nesterov's accelerated gradient (NAG) attains an iteration complexity of $O(\kappa\log\frac{1}{\epsilon})$, which is the best-known bound of first-order methods for rectangular matrix factorization. Different from small balanced random initialization in the existing literature, we adopt an unbalanced initialization, where $\mathbf{X}_0$ is large and $\mathbf{Y}_0$ is $0$. Moreover, our initialization and analysis can be further extended to linear neural networks, where we prove that NAG can also attain an accelerated linear convergence rate. In particular, we only require the width of the network to be greater than or equal to the rank of the output label matrix. In contrast, previous results achieving the same rate require excessive widths that additionally depend on the condition number and the rank of the input data matrix.
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Inspired by the success of foundation models in applications such as ChatGPT, as graph data has been ubiquitous, one can envision the far-reaching impacts that can be brought by Graph Foundation Models (GFMs) with broader applications in the areas such as scientific research, social network analysis, drug discovery, and e-commerce. Despite the significant progress of pre-trained graph neural networks, there haven’t been GFMs that can achieve desired performance on various graph-learning-related tasks. Building GFMs may rely on a vocabulary that encodes transferable patterns shared among different tasks and domains. Unlike image and text, defining such transferable patterns for graphs remains an open question. In this paper, we aim to bridge this gap by rethinking the transferable patterns on graphs as computation trees -- i.e., tree structures derived from the message-passing process. Based on this insight, we propose a cross-task, cross-domain graph foundation model named GFT, short for Graph Foundation model with transferable Tree vocabulary. By treating computation trees as tokens within the transferable vocabulary, GFT improves model generalization and reduces the risk of negative transfer. The theoretical analyses and extensive experimental studies have demonstrated the transferability of computation trees and shown the effectiveness of GFT across diverse tasks and domains in graph learning. The open source code and data are available at https://github.com/Zehong-Wang/GFT.
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Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers (Flag-DiT) that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduce a sigmoid time discretization schedule for diffusion sampling, which achieves high-quality generation in 5-10 steps combined with higher-order ODE solvers. Thanks to these improvements, Lumina-Next not only improves the basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities as well as multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-views, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights at https://github.com/Alpha-VLLM/Lumina-T2X, we aim to advance the development of next-generation generative AI capable of universal modeling.
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Modern machine learning models deployed often encounter distribution shifts in real-world applications, manifesting as covariate or semantic out-of-distribution (OOD) shifts. These shifts give rise to challenges in OOD generalization and OOD detection. This paper introduces a novel, integrated approach AHA (Adaptive Human-Assisted OOD learning) to simultaneously address both OOD generalization and detection through a human-assisted framework by labeling data in the wild. Our approach strategically labels examples within a novel maximum disambiguation region, where the number of semantic and covariate OOD data roughly equalizes. By labeling within this region, we can maximally disambiguate the two types of OOD data, thereby maximizing the utility of the fixed labeling budget. Our algorithm first utilizes a noisy binary search algorithm that identifies the maximal disambiguation region with high probability. The algorithm then continues with annotating inside the identified labeling region, reaping the full benefit of human feedback. Extensive experiments validate the efficacy of our framework. We observed that with only a few hundred human annotations, our method significantly outperforms existing state-of-the-art methods that do not involve human assistance, in both OOD generalization and OOD detection.
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Reinforcement Learning from Human Feedback (RLHF) has been pivotal in aligning Large Language Models with human values but often suffers from overoptimization due to its reliance on a proxy reward model. To mitigate this limitation, we first propose a lightweight uncertainty quantification method that assesses the reliability of the proxy reward using only the last layer embeddings of the reward model. Enabled by this efficient uncertainty quantification method, we formulate AdvPO, a distributionally robust optimization procedure to tackle the reward overoptimization problem in RLHF. Through extensive experiments on the Anthropic HH and TL;DR summarization datasets, we verify the effectiveness of AdvPO in mitigating the overoptimization problem, resulting in enhanced RLHF performance as evaluated through human-assisted evaluation.
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We consider the task of active geo-localization (AGL) in which an agent uses a sequence of visual cues observed during aerial navigation to find a target specified through multiple possible modalities. This could emulate a UAV involved in a search-and-rescue operation navigating through an area, observing a stream of aerial images as it goes. The AGL task is associated with two important challenges. Firstly, an agent must deal with a goal specification in one of multiple modalities (e.g., through a natural language description) while the search cues are provided in other modalities (aerial imagery). The second challenge is limited localization time (e.g., limited battery life, urgency) so that the goal must be localized as efficiently as possible, i.e. the agent must effectively leverage its sequentially observed aerial views when searching for the goal. To address these challenges, we propose GOMAA-Geo -- a goal modality agnostic active geo-localization agent -- for zero-shot generalization between different goal modalities. Our approach combines cross-modality contrastive learning to align representations across modalities with supervised foundation model pretraining and reinforcement learning to obtain highly effective navigation and localization policies. Through extensive evaluations, we show that GOMAA-Geo outperforms alternative learnable approaches and that it generalizes across datasets -- e.g., to disaster-hit areas without seeing a single disaster scenario during training -- and goal modalities -- e.g., to ground-level imagery or textual descriptions, despite only being trained with goals specified as aerial views. Our code is available at: https://github.com/mvrl/GOMAA-Geo.
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We present PiMForce, a novel framework that enhances hand pressure estimation by leveraging 3D hand posture information to augment forearm surface electromyography (sEMG) signals. Our approach utilizes detailed spatial information from 3D hand poses in conjunction with dynamic muscle activity from sEMG to enable accurate and robust whole-hand pressure measurements under diverse hand-object interactions. We also developed a multimodal data collection system that combines a pressure glove, an sEMG armband, and a markerless finger-tracking module. We created a comprehensive dataset from 21 participants, capturing synchronized data of hand posture, sEMG signals, and exerted hand pressure across various hand postures and hand-object interaction scenarios using our collection system. Our framework enables precise hand pressure estimation in complex and natural interaction scenarios. Our approach substantially mitigates the limitations of traditional sEMG-based or vision-based methods by integrating 3D hand posture information with sEMG signals. Video demos, data, and code are available online.
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The identifiability analysis of linear Ordinary Differential Equation (ODE) systems is a necessary prerequisite for making reliable causal inferences about these systems. While identifiability has been well studied in scenarios where the system is fully observable, the conditions for identifiability remain unexplored when latent variables interact with the system. This paper aims to address this gap by presenting a systematic analysis of identifiability in linear ODE systems incorporating hidden confounders. Specifically, we investigate two cases of such systems. In the first case, latent confounders exhibit no causal relationships, yet their evolution adheres to specific functional forms, such as polynomial functions of time $t$. Subsequently, we extend this analysis to encompass scenarios where hidden confounders exhibit causal dependencies, with the causal structure of latent variables described by a Directed Acyclic Graph (DAG). The second case represents a more intricate variation of the first case, prompting a more comprehensive identifiability analysis. Accordingly, we conduct detailed identifiability analyses of the second system under various observation conditions, including both continuous and discrete observations from single or multiple trajectories. To validate our theoretical results, we perform a series of simulations, which support and substantiate our findings.
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Despite the remarkable capabilities demonstrated by Graph Neural Networks (GNNs) in graph-related tasks, recent research has revealed the fairness vulnerabilities in GNNs when facing malicious adversarial attacks. However, all existing fairness attacks require manipulating the connectivity between existing nodes, which may be prohibited in reality. To this end, we introduce a Node Injection-based Fairness Attack (NIFA), exploring the vulnerabilities of GNN fairness in such a more realistic setting. In detail, NIFA first designs two insightful principles for node injection operations, namely the uncertainty-maximization principle and homophily-increase principle, and then optimizes injected nodes’ feature matrix to further ensure the effectiveness of fairness attacks. Comprehensive experiments on three real-world datasets consistently demonstrate that NIFA can significantly undermine the fairness of mainstream GNNs, even including fairness-aware GNNs, by injecting merely 1% of nodes. We sincerely hope that our work can stimulate increasing attention from researchers on the vulnerability of GNN fairness, and encourage the development of corresponding defense mechanisms. Our code and data are released at: https://github.com/CGCL-codes/NIFA.
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This paper considers the problem of online learning with non-convex loss functions in dynamic environments. Recently, Suggala and Netrapalli [2020] demonstrated that follow the perturbed leader (FTPL) can achieve optimal regret for non-convex losses, but their results are limited to static environments. In this research, we examine dynamic environments and choose \emph{dynamic regret} and \emph{adaptive regret} to measure the performance. First, we propose an algorithm named FTPL-D by restarting FTPL periodically and establish $O(T^\frac{2}{3}(V_T+1)^\frac{1}{3})$ dynamic regret with the prior knowledge of $V_T$, which is the variation of loss functions. In the case that $V_T$ is unknown, we run multiple FTPL-D with different restarting parameters as experts and use a meta-algorithm to track the best one on the fly. To address the challenge of non-convexity, we utilize randomized sampling in the process of tracking experts. Next, we present a novel algorithm called FTPL-A that dynamically maintains a group of FTPL experts and combines them with an advanced meta-algorithm to obtain $O(\sqrt{\tau\log{T}})$ adaptive regret for any interval of length $\tau$. Moreover, we demonstrate that FTPL-A also attains an $\tilde{O}(T^\frac{2}{3}(V_T+1)^\frac{1}{3})$ dynamic regret bound. Finally, we discuss the application to online constrained meta-learning and conduct experiments to verify the effectiveness of our methods.
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Multimodal learning falls into the trap of the optimization dilemma due to the modality imbalance phenomenon, leading to unsatisfactory performance in real applications. A core reason for modality imbalance is that the models of each modality converge at different rates. Many attempts naturally focus on adjusting learning procedures adaptively. Essentially, the reason why models converge at different rates is because the difficulty of fitting category labels is inconsistent for each modality during learning. From the perspective of fitting labels, we find that appropriate positive intervention label fitting can correct this difference in learning ability. By exploiting the ability of contrastive learning to intervene in the learning of category label fitting, we propose a novel multimodal learning approach that dynamically integrates unsupervised contrastive learning and supervised multimodal learning to address the modality imbalance problem. We find that a simple yet heuristic integration strategy can significantly alleviate the modality imbalance phenomenon. Moreover, we design a learning-based integration strategy to integrate two losses dynamically, further improving the performance. Experiments on widely used datasets demonstrate the superiority of our method compared with state-of-the-art (SOTA) multimodal learning approaches. The code is available at https://github.com/njustkmg/NeurIPS24-LFM.
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Inverse optimization has been increasingly used to estimate unknown parameters in an optimization model based on decision data. We show that such a point estimation is insufficient in a prescriptive setting where the estimated parameters are used to prescribe new decisions. The prescribed decisions may be low-quality and misaligned with human intuition and thus are unlikely to be adopted. To tackle this challenge, we propose conformal inverse optimization, which seeks to learn an uncertainty set for the unknown parameters and then solve a robust optimization model to prescribe new decisions. Under mild assumptions, we show that our method enjoys provable guarantees on solution quality, as evaluated using both the ground-truth parameters and the decision maker's perception of the unknown parameters. Our method demonstrates strong empirical performance compared to classic inverse optimization.
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Manipulating garments and fabrics has long been a critical endeavor in the development of home-assistant robots. However, due to complex dynamics and topological structures, garment manipulations pose significant challenges. Recent successes in reinforcement learning and vision-based methods offer promising avenues for learning garment manipulation. Nevertheless, these approaches are severely constrained by current benchmarks, which exhibit offer limited diversity of tasks and unrealistic simulation behavior. Therefore, we present GarmentLab, a content-rich benchmark and realistic simulation designed for deformable object and garment manipulation. Our benchmark encompasses a diverse range of garment types, robotic systems and manipulators. The abundant tasks in the benchmark further explores of the interactions between garments, deformable objects, rigid bodies, fluids, and human body. Moreover, by incorporating multiple simulation methods such as FEM and PBD, along with our proposed sim-to-real algorithms and real-world benchmark, we aim to significantly narrow the sim-to-real gap. We evaluate state-of-the-art vision methods, reinforcement learning, and imitation learning approaches on these tasks, highlighting the challenges faced by current algorithms, notably their limited generalization capabilities. Our proposed open-source environments and comprehensive analysis show promising boost to future research in garment manipulation by unlocking the full potential of these methods. We guarantee that we will open-source our code as soon as possible. You can watch the videos in supplementary files to learn more about the details of our work.
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Creating large-scale interactive 3D environments is essential for the development of Robotics and Embodied AI research. However, generating diverse embodied environments with realistic detail and considerable complexity remains a significant challenge. Current methods, including manual design, procedural generation, diffusion-based scene generation, and large language model (LLM) guided scene design, are hindered by limitations such as excessive human effort, reliance on predefined rules or training datasets, and limited 3D spatial reasoning ability. Since pre-trained 2D image generative models better capture scene and object configuration than LLMs, we address these challenges by introducing $\textit{Architect}$, a generative framework that creates complex and realistic 3D embodied environments leveraging diffusion-based 2D image inpainting. In detail, we utilize foundation visual perception models to obtain each generated object from the image and leverage pre-trained depth estimation models to lift the generated 2D image to 3D space. While there are still challenges that the camera parameters and scale of depth are still absent in the generated image, we address those problems by ''controlling'' the diffusion model by $\textit{hierarchical inpainting}$. Specifically, having access to ground-truth depth and camera parameters in simulation, we first render a photo-realistic image of only the background. Then, we inpaint the foreground in this image, passing the geometric cues to the inpainting model in the background, which informs the camera parameters. This process effectively controls the camera parameters and depth scale for the generated image, facilitating the back-projection from 2D image to 3D point clouds. Our pipeline is further extended to a hierarchical and iterative inpainting process to continuously generate the placement of large furniture and small objects to enrich the scene. This iterative structure brings the flexibility for our method to generate or refine scenes from various starting points, such as text, floor plans, or pre-arranged environments. Experimental results demonstrate that $\textit{Architect}$ outperforms existing methods in producing realistic and complex environments, making it highly suitable for Embodied AI and robotics applications.
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Convolutional residual neural networks (ConvResNets), though overparametersized, can achieve remarkable prediction performance in practice, which cannot be well explained by conventional wisdom. To bridge this gap, we study the performance of ConvResNeXts trained with weight decay, which cover ConvResNets as a special case, from the perspective of nonparametric classification. Our analysis allows for infinitely many building blocks in ConvResNeXts, and shows that weight decay implicitly enforces sparsity on these blocks. Specifically, we consider a smooth target function supported on a low-dimensional manifold, then prove that ConvResNeXts can adapt to the function smoothness and low-dimensional structures and efficiently learn the function without suffering from the curse of dimensionality. Our findings partially justify the advantage of overparameterized ConvResNeXts over conventional machine learning models.
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Despite the success of Large Language Models (LLMs) on various tasks following human instructions, controlling model generation to follow strict constraints at inference time poses a persistent challenge. In this paper, we introduce Ctrl-G, a neuro-symbolic framework that enables tractable and adaptable control of LLM generation to follow logical constraints reliably. Ctrl-G combines any production-ready LLM with a Hidden Markov Model (HMM), guiding LLM outputs to adhere to logical constraints represented as deterministic finite automata. We show that Ctrl-G, when a TULU2-7B model is coupled with a 2B-parameter HMM, outperforms GPT4 in text editing: on the task of generating text insertions/continuations following logical constraints, our approach achieves over 30% higher satisfaction rate in human evaluation. When applied to medium-size language models (e.g., GPT2-large), Ctrl-G also beats its counterparts on standard benchmarks by large margins. Additionally, as a proof-of-concept study, we use Ctrl-G to assist LLM reasoning on the GSM benchmark, foreshadowing the application of Ctrl-G, as well as other constrained generation approaches, beyond traditional language generation tasks.
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Volume rendering in neural radiance fields is inherently time-consuming due to the large number of MLP calls on the points sampled per ray. Previous works would address this issue by introducing new neural networks or data structures. In this work, we propose GL-NeRF, a new perspective of computing volume rendering with the Gauss-Laguerre quadrature. GL-NeRF significantly reduces the number of MLP calls needed for volume rendering, introducing no additional data structures or neural networks. The simple formulation makes adopting GL-NeRF in any NeRF model possible. In the paper, we first justify the use of the Gauss-Laguerre quadrature and then demonstrate this plug-and-play attribute by implementing it in two different NeRF models. We show that with a minimal drop in performance, GL-NeRF can significantly reduce the number of MLP calls, showing the potential to speed up any NeRF model. Code can be found in project page https://silongyong.github.io/GL-NeRF_project_page/.
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Noise in data significantly influences decision-making in the data science process. In fact, it has been shown that noise in data generation processes leads practitioners to find simpler models. However, an open question still remains: what is the degree of model simplification we can expect under different noise levels? In this work, we address this question by investigating the relationship between the amount of noise and model simplicity across various hypothesis spaces, focusing on decision trees and linear models. We formally show that noise acts as an implicit regularizer for several different noise models. Furthermore, we prove that Rashomon sets (sets of near-optimal models) constructed with noisy data tend to contain simpler models than corresponding Rashomon sets with non-noisy data. Additionally, we show that noise expands the set of ``good'' features and consequently enlarges the set of models that use at least one good feature. Our work offers theoretical guarantees and practical insights for practitioners and policymakers on whether simple-yet-accurate machine learning models are likely to exist, based on knowledge of noise levels in the data generation process.
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Given the high economic and environmental costs of using large vision or language models, analog in-memory accelerators present a promising solution for energy-efficient AI. While inference on analog accelerators has been studied recently, the training perspective is underexplored. Recent studies have shown that the "workhorse" of digital AI training - stochastic gradient descent (SGD) algorithm converges inexactly when applied to model training on non-ideal devices. This paper puts forth a theoretical foundation for gradient-based training on analog devices. We begin by characterizing the non-convergent issue of SGD, which is caused by the asymmetric updates on the analog devices. We then provide a lower bound of the asymptotic error to show that there is a fundamental performance limit of SGD-based analog training rather than an artifact of our analysis. To address this issue, we study a heuristic analog algorithm called Tiki-Taka that has recently exhibited superior empirical performance compared to SGD. We rigorously show its ability to converge to a critical point exactly and hence eliminate the asymptotic error. The simulations verify the correctness of the analyses.
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We present PANORAMIA, a privacy leakage measurement framework for machine learning models that relies on membership inference attacks using generated data as non-members. By relying on generated non-member data, PANORAMIA eliminates the common dependency of privacy measurement tools on in-distribution non-member data. As a result, PANORAMIA does not modify the model, training data, or training process, and only requires access to a subset of the training data. We evaluate PANORAMIA on ML models for image and tabular data classification, as well as on large-scale language models.
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Recent work shows promising results in expanding the capabilities of large language models (LLM) to directly understand and synthesize speech. However, an LLM-based strategy for modeling spoken dialogs remains elusive, calling for further investigation. This paper introduces an extensive speech-text LLM framework, the Unified Spoken Dialog Model (USDM), designed to generate coherent spoken responses with naturally occurring prosodic features relevant to the given input speech without relying on explicit automatic speech recognition (ASR) or text-to-speech (TTS) systems. We have verified the inclusion of prosody in speech tokens that predominantly contain semantic information and have used this foundation to construct a prosody-infused speech-text model. Additionally, we propose a generalized speech-text pretraining scheme that enhances the capture of cross-modal semantics. To construct USDM, we fine-tune our speech-text model on spoken dialog data using a multi-step spoken dialog template that stimulates the chain-of-reasoning capabilities exhibited by the underlying LLM. Automatic and human evaluations on the DailyTalk dataset demonstrate that our approach effectively generates natural-sounding spoken responses, surpassing previous and cascaded baselines. Our code and checkpoints are available at https://github.com/naver-ai/usdm.
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Large language models (LLMs) are commonly trained on datasets consisting of fixed-length token sequences. These datasets are created by randomly concatenating documents of various lengths and then chunking them into sequences of a predetermined target length (concat-and-chunk). Recent attention implementations mask cross-document attention, reducing the effective length of a chunk of tokens. Additionally, training on long sequences becomes computationally prohibitive due to the quadratic cost of attention. In this study, we introduce dataset decomposition, a novel variable sequence length training technique, to tackle these challenges. We decompose a dataset into a union of buckets, each containing sequences of the same size extracted from a unique document. During training, we use variable sequence length and batch-size, sampling simultaneously from all buckets with a curriculum. In contrast to the concat-and-chunk baseline, which incurs a fixed attention cost at every step of training, our proposed method incurs a computational cost proportional to the actual document lengths at each step, resulting in significant savings in training time. We train an 8k context-length 1B model at the same cost as a 2k context-length model trained with the baseline approach. Experiments on a web-scale corpus demonstrate that our approach significantly enhances performance on standard language evaluations and long-context benchmarks, reaching target accuracy with up to 6x faster training compared to the baseline. Our method not only enables efficient pretraining on long sequences but also scales effectively with dataset size. Lastly, we shed light on a critical yet less studied aspect of training large language models: the distribution and curriculum of sequence lengths, which results in a non-negligible difference in performance.
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To address issues of group-level fairness in machine learning, it is natural to adjust model parameters based on specific fairness objectives over a sensitive-attributed validation set. Such an adjustment procedure can be cast within a meta-learning framework. However, naive integration of fairness goals via meta-learning can cause hypergradient conflicts for subgroups, resulting in unstable convergence and compromising model performance and fairness. To navigate this issue, we frame the resolution of hypergradient conflicts as a multi-player cooperative bargaining game. We introduce a two-stage meta-learning framework in which the first stage involves the use of a Nash Bargaining Solution (NBS) to resolve hypergradient conflicts and steer the model toward the Pareto front, and the second stage optimizes with respect to specific fairness goals. Our method is supported by theoretical results, notably a proof of the NBS for gradient aggregation free from linear independence assumptions, a proof of Pareto improvement, and a proof of monotonic improvement in validation loss. We also show empirical effects across various fairness objectives in six key fairness datasets and two image classification tasks.
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In-context learning (ICL) refers to a remarkable capability of pretrained large language models, which can learn a new task given a few examples during inference. However, theoretical understanding of ICL is largely under-explored, particularly whether transformers can be trained to generalize to unseen examples in a prompt, which will require the model to acquire contextual knowledge of the prompt for generalization. This paper investigates the training dynamics of transformers by gradient descent through the lens of non-linear regression tasks. The contextual generalization here can be attained via learning the template function for each task in-context, where all template functions lie in a linear space with $m$ basis functions. We analyze the training dynamics of one-layer multi-head transformers to {in-contextly} predict unlabeled inputs given partially labeled prompts, where the labels contain Gaussian noise and the number of examples in each prompt are not sufficient to determine the template. Under mild assumptions, we show that the training loss for a one-layer multi-head transformer converges linearly to a global minimum. Moreover, the transformer effectively learns to perform ridge regression over the basis functions. To our knowledge, this study is the first provable demonstration that transformers can learn contextual (i.e., template) information to generalize to both unseen examples and tasks when prompts contain only a small number of query-answer pairs.
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Uniformity testing is arguably one of the most fundamental distribution testing problems. Given sample access to an unknown distribution $\mathbf{p}$ on $[n]$, one must decide if $\mathbf{p}$ is uniform or $\varepsilon$-far from uniform (in total variation distance). A long line of work established that uniformity testing has sample complexity $\Theta(\sqrt{n}\varepsilon^{-2})$. However, when the input distribution is neither uniform nor far from uniform, known algorithms may have highly non-replicable behavior. Consequently, if these algorithms are applied in scientific studies, they may lead to contradictory results that erode public trust in science. In this work, we revisit uniformity testing under the framework of algorithmic replicability [STOC '22], requiring the algorithm to be replicable under arbitrary distributions. While replicability typically incurs a $\rho^{-2}$ factor overhead in sample complexity, we obtain a replicable uniformity tester using only $\tilde{O}(\sqrt{n} \varepsilon^{-2} \rho^{-1})$ samples. To our knowledge, this is the first replicable learning algorithm with (nearly) linear dependence on $\rho$. Lastly, we consider a class of ``symmetric" algorithms [FOCS '00] whose outputs are invariant under relabeling of the domain $[n]$, which includes all existing uniformity testers (including ours). For this natural class of algorithms, we prove a nearly matching sample complexity lower bound for replicable uniformity testing.
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Federated reinforcement learning (RL) enables collaborative decision making of multiple distributed agents without sharing local data trajectories. In this work, we consider a multi-task setting, in which each agent has its own private reward function corresponding to different tasks, while sharing the same transition kernel of the environment. Focusing on infinite-horizon Markov decision processes, the goal is to learn a globally optimal policy that maximizes the sum of the discounted total rewards of all the agents in a decentralized manner, where each agent only communicates with its neighbors over some prescribed graph topology. We develop federated vanilla and entropy-regularized natural policy gradient (NPG) methods in the tabular setting under softmax parameterization, where gradient tracking is applied to estimate the global Q-function to mitigate the impact of imperfect information sharing. We establish non-asymptotic global convergence guarantees under exact policy evaluation, where the rates are nearly independent of the size of the state-action space and illuminate the impacts of network size and connectivity. To the best of our knowledge, this is the first time that global convergence is established for federated multi-task RL using policy optimization. We further go beyond the tabular setting by proposing a federated natural actor critic (NAC) method for multi-task RL with function approximation, and establish its finite-time sample complexity taking the errors of function approximation into account.
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As text-to-image (T2I) synthesis models increase in size, they demand higher inference costs due to the need for more expensive GPUs with larger memory, which makes it challenging to reproduce these models in addition to the restricted access to training datasets. Our study aims to reduce these inference costs and explores how far the generative capabilities of T2I models can be extended using only publicly available datasets and open-source models. To this end, by using the de facto standard text-to-image model, Stable Diffusion XL (SDXL), we present three key practices in building an efficient T2I model: (1) Knowledge distillation: we explore how to effectively distill the generation capability of SDXL into an efficient U-Net and find that self-attention is the most crucial part. (2) Data: despite fewer samples, high-resolution images with rich captions are more crucial than a larger number of low-resolution images with short captions. (3) Teacher: Step-distilled Teacher allows T2I models to reduce the noising steps. Based on these findings, we build two types of efficient text-to-image models, called KOALA-Turbo & -Lightning, with two compact U-Nets (1B & 700M), reducing the model size up to 54% and 69% of the SDXL U-Net. In particular, the KOALA-Lightning-700M is 4 times faster than SDXL while still maintaining satisfactory generation quality. Moreover, unlike SDXL, our KOALA models can generate 1024px high-resolution images on consumer-grade GPUs with 8GB of VRAMs (3060Ti). We believe that our KOALA models will have a significant practical impact, serving as cost-effective alternatives to SDXL for academic researchers and general users in resource-constrained environments.
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The Transformer architecture is widely applied in sequence modeling applications, yet the theoretical understanding of its working principles remains limited. In this work, we investigate the approximation rate for single-layer Transformers with one head. We consider general non-linear relationships and identify a novel notion of complexity measures to establish an explicit Jackson-type approximation rate estimate for the Transformer. This rate reveals the structural properties of the Transformer and suggests the types of sequential relationships it is best suited for approximating. In particular, the results on approximation rates enable us to concretely analyze the differences between the Transformer and classical sequence modeling methods, such as recurrent neural networks.
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Proteins are essential for almost all biological processes and derive their diverse functions from complex $3 \rm D$ structures, which are in turn determined by their amino acid sequences. In this paper, we exploit the rich biological inductive bias of amino acid sequences and introduce FoldFlow++, a novel sequence-conditioned $\text{SE}(3)$-equivariant flow matching model for protein structure generation. FoldFlow++ presents substantial new architectural features over the previous FoldFlow family of models including a protein large language model to encode sequence, a new multi-modal fusion trunk that combines structure and sequence representations, and a geometric transformer based decoder. To increase diversity and novelty of generated samples -- crucial for de-novo drug design -- we train FoldFlow++ at scale on a new dataset that is an order of magnitude larger than PDB datasets of prior works, containing both known proteins in PDB and high-quality synthetic structures achieved through filtering. We further demonstrate the ability to align FoldFlow++ to arbitrary rewards, e.g. increasing secondary structures diversity, by introducing a Reinforced Finetuning (ReFT) objective. We empirically observe that FoldFlow++ outperforms previous state-of-the-art protein structure-based generative models, improving over RFDiffusion in terms of unconditional generation across all metrics including designability, diversity, and novelty across all protein lengths, as well as exhibiting generalization on the task of equilibrium conformation sampling. Finally, we demonstrate that a fine-tuned FoldFlow++ makes progress on challenging conditional design tasks such as designing scaffolds for the VHH nanobody.
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We provide a new algorithmic framework for differentially private estimation of general functions that adapts to the hardness of the underlying dataset. We build upon previous work that gives a paradigm for selecting an output through the exponential mechanism based upon closeness of the inverse to the underlying dataset, termed the inverse sensitivity mechanism. Our framework will slightly modify the closeness metric and instead give a simple and efficient application of the sparse vector technique. While the inverse sensitivity mechanism was shown to be instance optimal, it was only with respect to a class of unbiased mechanisms such that the most likely outcome matches the underlying data. We break this assumption in order to more naturally navigate the bias-variance tradeoff, which will also critically allow for extending our method to unbounded data. In consideration of this tradeoff, we provide theoretical guarantees and empirical validation that our technique will be particularly effective when the distances to the underlying dataset are asymmetric. This asymmetry is inherent to a range of important problems including fundamental statistics such as variance, as well as commonly used machine learning performance metrics for both classification and regression tasks. We efficiently instantiate our method in $O(n)$ time for these problems and empirically show that our techniques will give substantially improved differentially private estimations.
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Grid cells in the mammalian brain are fundamental to spatial navigation, and therefore crucial to how animals perceive and interact with their environment. Traditionally, grid cells are thought support path integration through highly symmetric hexagonal lattice firing patterns. However, recent findings show that their firing patterns become distorted in the presence of significant spatial landmarks such as rewarded locations. This introduces a novel perspective of dynamic, subjective, and action-relevant interactions between spatial representations and environmental cues. Here, we propose a practical and theoretical framework to quantify and explain these interactions. To this end, we train path-integrating recurrent neural networks (piRNNs) on a spatial navigation task, whose goal is to predict the agent's position with a special focus on rewarded locations. Grid-like neurons naturally emerge from the training of piRNNs, which allows us to investigate how the two aspects of the task, space and reward, are integrated in their firing patterns. We find that geometry, but not topology, of the grid cell population code becomes distorted. Surprisingly, these distortions are global in the firing patterns of the grid cells despite local changes in the reward. Our results indicate that after training with location-specific reward information, the preserved representational topology supports successful path integration, whereas the emergent heterogeneity in individual responses due to global distortions may encode dynamically changing environmental cues. By bridging the gap between computational models and the biological reality of spatial navigation under reward information, we offer new insights into how neural systems prioritize environmental landmarks in their spatial navigation code.
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Do neural networks learn to implement algorithms such as look-ahead or search "in the wild"? Or do they rely purely on collections of simple heuristics? We present evidence of *learned look-ahead* in the policy and value network of Leela Chess Zero, the currently strongest deep neural chess engine. We find that Leela internally represents future optimal moves and that these representations are crucial for its final output in certain board states. Concretely, we exploit the fact that Leela is a transformer that treats every chessboard square like a token in language models, and give three lines of evidence: (1) activations on certain squares of future moves are unusually important causally; (2) we find attention heads that move important information "forward and backward in time," e.g., from squares of future moves to squares of earlier ones; and (3) we train a simple probe that can predict the optimal move 2 turns ahead with 92% accuracy (in board states where Leela finds a single best line). These findings are clear evidence of learned look-ahead in neural networks and might be a step towards a better understanding of their capabilities.
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Large language models (LLMs) are known for their exceptional performance in natural language processing, making them highly effective in many human life-related tasks. The attention mechanism in the Transformer architecture is a critical component of LLMs, as it allows the model to selectively focus on specific input parts. The softmax unit, which is a key part of the attention mechanism, normalizes the attention scores. Hence, the performance of LLMs in various NLP tasks depends significantly on the crucial role played by the attention mechanism with the softmax unit. In-context learning is one of the celebrated abilities of recent LLMs. Without further parameter updates, Transformers can learn to predict based on few in-context examples. However, the reason why Transformers becomes in-context learners is not well understood. Recently, in-context learning has been studied from a mathematical perspective with simplified linear self-attention without softmax unit. Based on a linear regression formulation $\min_x\| Ax - b \|_2$, existing works show linear Transformers' capability of learning linear functions in context. The capability of Transformers with softmax unit approaching full Transformers, however, remains unexplored. In this work, we study the in-context learning based on a softmax regression formulation $\min_{x} \| \langle \exp(Ax), {\bf 1}_n \rangle^{-1} \exp(Ax) - b \|_2$. We show the upper bounds of the data transformations induced by a single self-attention layer with softmax unit and by gradient-descent on a $\ell_2$ regression loss for softmax prediction function. Our theoretical results imply that when training self-attention-only Transformers for fundamental regression tasks, the models learned by gradient-descent and Transformers show great similarity.
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Large vision-language models (VLLMs) exhibit promising capabilities for processing multi-modal tasks across various application scenarios. However, their emergence also raises significant data security concerns, given the potential inclusion of sensitive information, such as private photos and medical records, in their training datasets. Detecting inappropriately used data in VLLMs remains a critical and unresolved issue, mainly due to the lack of standardized datasets and suitable methodologies. In this study, we introduce the first membership inference attack (MIA) benchmark tailored for various VLLMs to facilitate training data detection. Then, we propose a novel MIA pipeline specifically designed for token-level image detection. Lastly, we present a new metric called MaxRényi-K%, which is based on the confidence of the model output and applies to both text and image data. We believe that our work can deepen the understanding and methodology of MIAs in the context of VLLMs. Our code and datasets are available at https://github.com/LIONS-EPFL/VL-MIA.
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In many real-world decision problems there is partially observed, hidden or latent information that remains fixed throughout an interaction. Such decision problems can be modeled as Latent Markov Decision Processes (LMDPs), where a latent variable is selected at the beginning of an interaction and is not disclosed to the agent initially. In last decade, there has been significant progress in designing learning algorithms for solving LMDPs under different structural assumptions. However, for general LMDPs, there is no known learning algorithm that provably matches the existing lower bound. We effectively resolve this open question, introducing the first sample-efficient algorithm for LMDPs without *any additional structural assumptions*. Our result builds off a new perspective on the role off-policy evaluation guarantees and coverage coefficient in LMDPs, a perspective, which has been overlooked in the context of exploration in partially observed environments. Specifically, we establish a novel off-policy evaluation lemma and introduce a new coverage coefficient for LMDPs. Then, we show how these can be used to derive near-optimal guarantees of an optimistic exploration algorithm. These results, we believe, can be valuable for a wide range of interactive learning problems beyond the LMDP class, and especially, for partially observed environments.
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Large language models are probabilistic models, and the process of generating content is essentially sampling from the output distribution of the language model. Existing watermarking techniques inject watermarks into the generated content without altering the output quality. On the other hand, existing acceleration techniques, specifically speculative sampling, leverage a draft model to speed up the sampling process while preserving the output distribution. However, there is no known method to simultaneously accelerate the sampling process and inject watermarks into the generated content. In this paper, we investigate this direction and find that the integration of watermarking and acceleration is non-trivial. We prove a no-go theorem, which states that it is impossible to simultaneously maintain the highest watermark strength and the highest sampling efficiency. Furthermore, we propose two methods that maintain either the sampling efficiency or the watermark strength, but not both. Our work provides a rigorous theoretical foundation for understanding the inherent trade-off between watermark strength and sampling efficiency in accelerating the generation of watermarked tokens for large language models. We also conduct numerical experiments to validate our theoretical findings and demonstrate the effectiveness of the proposed methods.
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Success in collaborative and competitive environments, where agents must work with or against each other, requires individuals to encode the position and trajectory of themselves and others. Decades of neurophysiological experiments have shed light on how brain regions [e.g., medial entorhinal cortex (MEC), hippocampus] encode the self's position and trajectory. However, it has only recently been discovered that MEC and hippocampus are modulated by the positions and trajectories of others. To understand how encoding spatial information of multiple agents shapes neural representations, we train a recurrent neural network (RNN) model that captures properties of MEC to path integrate trajectories of two agents simultaneously navigating the same environment. We find significant differences between these RNNs and those trained to path integrate only a single agent. At the individual unit level, RNNs trained to path integrate more than one agent develop weaker grid responses, stronger border responses, and tuning for the relative position of the two agents. At the population level, they develop more distributed and robust representations, with changes in network dynamics and manifold topology. Our results provide testable predictions and open new directions with which to study the neural computations supporting spatial navigation.
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Inferring the synaptic plasticity rules that govern learning in the brain is a key challenge in neuroscience. We present a novel computational method to infer these rules from experimental data, applicable to both neural and behavioral data. Our approach approximates plasticity rules using a parameterized function, employing either truncated Taylor series for theoretical interpretability or multilayer perceptrons. These plasticity parameters are optimized via gradient descent over entire trajectories to align closely with observed neural activity or behavioral learning dynamics. This method can uncover complex rules that induce long nonlinear time dependencies, particularly involving factors like postsynaptic activity and current synaptic weights. We validate our approach through simulations, successfully recovering established rules such as Oja's, as well as more intricate plasticity rules with reward-modulated terms. We assess the robustness of our technique to noise and apply it to behavioral data from \textit{Drosophila} in a probabilistic reward-learning experiment. Notably, our findings reveal an active forgetting component in reward learning in flies, improving predictive accuracy over previous models. This modeling framework offers a promising new avenue for elucidating the computational principles of synaptic plasticity and learning in the brain.
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Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragment-based molecule generation methods show limited exploration beyond the existing fragments in the database as they only reassemble or slightly modify the given ones. To tackle this problem, we propose a new fragment-based molecule generation framework with retrieval augmentation, namely *Fragment Retrieval-Augmented Generation* (*f*-RAG). *f*-RAG is based on a pre-trained molecular generative model that proposes additional fragments from input fragments to complete and generate a new molecule. Given a fragment vocabulary, *f*-RAG retrieves two types of fragments: (1) *hard fragments*, which serve as building blocks that will be explicitly included in the newly generated molecule, and (2) *soft fragments*, which serve as reference to guide the generation of new fragments through a trainable *fragment injection module*. To extrapolate beyond the existing fragments, *f*-RAG updates the fragment vocabulary with generated fragments via an iterative refinement process which is further enhanced with post-hoc genetic fragment modification. *f*-RAG can achieve an improved exploration-exploitation trade-off by maintaining a pool of fragments and expanding it with novel and high-quality fragments through a strong generative prior.
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Intelligent agents must be generalists, capable of quickly adapting to various tasks. In reinforcement learning (RL), model-based RL learns a dynamics model of the world, in principle enabling transfer to arbitrary reward functions through planning. However, autoregressive model rollouts suffer from compounding error, making model-based RL ineffective for long-horizon problems. Successor features offer an alternative by modeling a policy's long-term state occupancy, reducing policy evaluation under new rewards to linear regression. Yet, policy optimization with successor features can be challenging. This work proposes a novel class of models, i.e., Distributional Successor Features for Zero-Shot Policy Optimization (DiSPOs), that learn a distribution of successor features of a stationary dataset's behavior policy, along with a policy that acts to realize different successor features within the dataset. By directly modeling long-term outcomes in the dataset, DiSPOs avoid compounding error while enabling a simple scheme for zero-shot policy optimization across reward functions. We present a practical instantiation of DiSPOs using diffusion models and show their efficacy as a new class of transferable models, both theoretically and empirically across various simulated robotics problems. Videos and code are available at https://weirdlabuw.github.io/dispo/.
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In this work, we introduce ChatQA, a suite of models that outperform GPT-4 on retrieval-augmented generation (RAG) and conversational question answering (QA). To enhance generation, we propose a two-stage instruction tuning method that significantly boosts the performance of RAG. For effective retrieval, we introduce a dense retriever optimized for conversational QA, which yields results comparable to the alternative state-of-the-art query rewriting models, while substantially reducing deployment costs. We also present the ChatRAG Bench, which encompasses ten datasets covering comprehensive evaluations on RAG, table-related QA, arithmetic calculations, and scenarios involving unanswerable questions. Our ChatQA-1.0-70B (score: 54.14), built on Llama2, a weaker foundation model than GPT-4, can slightly outperform GPT-4-0613 (score: 53.90) and GPT-4-Turbo-2024-04-09 (score: 54.03) on the ChatRAG Bench, without relying on any synthetic data from OpenAI GPT models. Notably, Llama3-ChatQA-1.5-70B model surpasses the accuracy of GPT-4-Turbo-2024-04-09 by a margin. These results demonstrate the exceptional quality of the proposed ChatQA recipe. To advance research in this field, we open-sourced the model weights, instruction tuning data, ChatRAG Bench, and retriever for the community.
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We study fair allocation of constrained resources, where a market designer optimizes overall welfare while maintaining group fairness. In many large-scale settings, utilities are not known in advance, but are instead observed after realizing the allocation. We therefore estimate agent utilities using machine learning. Optimizing over estimates requires trading-off between mean utilities and their predictive variances. We discuss these trade-offs under two paradigms for preference modeling – in the stochastic optimization regime, the market designer has access to a probability distribution over utilities, and in the robust optimization regime they have access to an uncertainty set containing the true utilities with high probability. We discuss utilitarian and egalitarian welfare objectives, and we explore how to optimize for them under stochastic and robust paradigms. We demonstrate the efficacy of our approaches on three publicly available conference reviewer assignment datasets. The approaches presented enable scalable constrained resource allocation under uncertainty for many combinations of objectives and preference models.
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A key challenge in lifelong reinforcement learning (RL) is the loss of plasticity, where previous learning progress hinders an agent's adaptation to new tasks. While regularization and resetting can help, they require precise hyperparameter selection at the outset and environment-dependent adjustments. Building on the principled theory of online convex optimization, we present a parameter-free optimizer for lifelong RL, called TRAC, which requires no tuning or prior knowledge about the distribution shifts. Extensive experiments on Procgen, Atari, and Gym Control environments show that TRAC works surprisingly well—mitigating loss of plasticity and rapidly adapting to challenging distribution shifts—despite the underlying optimization problem being nonconvex and nonstationary.
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Large pretrained foundation models demonstrate exceptional performance and, in some high-stakes applications, even surpass human experts. However, most of these models are currently evaluated primarily on prediction accuracy, overlooking the validity of the rationales behind their accurate predictions. For the safe deployment of foundation models, there is a pressing need to ensure *double-correct predictions*, *i.e.*, correct prediction backed by correct rationales. To achieve this, we propose a two-phase scheme: First, we curate a new dataset that offers structured rationales for visual recognition tasks. Second, we propose a rationale-informed optimization method to guide the model in disentangling and localizing visual evidence for each rationale, without requiring manual annotations. Extensive experiments and ablation studies demonstrate that our model outperforms state-of-the-art models by up to 10.1\% in prediction accuracy across a wide range of tasks. Furthermore, our method significantly improves the model's rationale correctness, improving localization by 7.5\% and disentanglement by 36.5\%. Our dataset, source code, and pretrained weights: https://github.com/deep-real/DCP
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We provide faster randomized algorithms for computing an $\epsilon$-optimal policy in a discounted Markov decision process with $A_{\text{tot}}$-state-action pairs, bounded rewards, and discount factor $\gamma$. We provide an $\tilde{O}(A_{\text{tot}}[(1 - \gamma)^{-3}\epsilon^{-2} + (1 - \gamma)^{-2}])$-time algorithm in the sampling setting, where the probability transition matrix is unknown but accessible through a generative model which can be queried in $\tilde{O}(1)$-time, and an $\tilde{O}(s + (1-\gamma)^{-2})$-time algorithm in the offline setting where the probability transition matrix is known and $s$-sparse. These results improve upon the prior state-of-the-art which either ran in $\tilde{O}(A_{\text{tot}}[(1 - \gamma)^{-3}\epsilon^{-2} + (1 - \gamma)^{-3}])$ time [Sidford, Wang, Wu, Ye 2018] in the sampling setting, $\tilde{O}(s + A_{\text{tot}} (1-\gamma)^{-3})$ time [Sidford, Wang, Wu, Yang, Ye 2018] in the offline setting, or time at least quadratic in the number of states using interior point methods for linear programming. We achieve our results by building upon prior stochastic variance-reduced value iteration methods [Sidford, Wang, Wu, Yang, Ye 2018]. We provide a variant that carefully truncates the progress of its iterates to improve the variance of new variance-reduced sampling procedures that we introduce to implement the steps. Our method is essentially model-free and can be implemented in $\tilde{O}(A_{\text{tot}})$-space when given generative model access. Consequently, our results take a step in closing the sample-complexity gap between model-free and model-based methods.
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Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. To capture similarity relationships, while graph kernel methods like the Weisfeiler-Lehman subtree (WL-subtree) and Weisfeiler-Lehman optimal assignment (WLOA) perform effectively, they are heavily reliant on predefined kernels and lack sufficient non-linearities. Our work aims to bridge the gap between neural network methods and kernel approaches by enabling GNNs to consistently capture relational structures in their learned representations. Given the analogy between the message-passing process of GNNs and WL algorithms, we thoroughly compare and analyze the properties of WL-subtree and WLOA kernels. We find that the similarities captured by WLOA at different iterations are asymptotically consistent, ensuring that similar graphs remain similar in subsequent iterations, thereby leading to superior performance over the WL-subtree kernel. Inspired by these findings, we conjecture that the consistency in the similarities of graph representations across GNN layers is crucial in capturing relational structures and enhancing graph classification performance. Thus, we propose a loss to enforce the similarity of graph representations to be consistent across different layers. Our empirical analysis verifies our conjecture and shows that our proposed consistency loss can significantly enhance graph classification performance across several GNN backbones on various datasets.
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Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learning complex reasoning, we propose *Difficulty-Aware Rejection Tuning* (`DART`), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing `DART`, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called `DART-Math`. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, `DART-Math` outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving. Our datasets, models and code are publicly available at https://github.com/hkust-nlp/dart-math.
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Large vision language models (LVLMs) integrate large language models (LLMs) with pre-trained vision encoders, thereby activating the perception capability of the model to understand image inputs for different queries and conduct subsequent reasoning. Improving this capability requires high-quality vision-language data, which is costly and labor-intensive to acquire. Self-training approaches have been effective in single-modal settings to alleviate the need for labeled data by leveraging model's own generation. However, effective self-training remains a challenge regarding the unique visual perception and reasoning capability of LVLMs. To address this, we introduce **S**elf-**T**raining on **I**mage **C**omprehension (**STIC**), which emphasizes a self-training approach specifically for image comprehension. First, the model self-constructs a preference dataset for image descriptions using unlabeled images. Preferred responses are generated through a step-by-step prompt, while dis-preferred responses are generated from either corrupted images or misleading prompts. To further self-improve reasoning on the extracted visual information, we let the model reuse a small portion of existing instruction-tuning data and append its self-generated image descriptions to the prompts. We validate the effectiveness of STIC across seven different benchmarks, demonstrating substantial performance gains of 4.0% on average while using 70% less supervised fine-tuning data than the current method. Further studies dive into various components of STIC and highlight its potential to leverage vast quantities of unlabeled images for self-training.
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Pre-trained vision language models (VLMs), though powerful, typically lack training on decision-centric data, rendering them sub-optimal for decision-making tasks such as in-the-wild device control through Graphical User Interfaces (GUIs) when used off-the-shelf. While training with static demonstrations has shown some promise, we show that such methods fall short when controlling real GUIs due to their failure to deal with real world stochasticity and dynamism not captured in static observational data. This paper introduces a novel autonomous RL approach, called DigiRL, for training in-the-wild device control agents through fine-tuning a pre-trained VLM in two stages: offline and offline-to-online RL. We first build a scalable and parallelizable Android learning environment equipped with a VLM-based general-purpose evaluator and then identify the key design choices for simple and effective RL in this domain. We demonstrate the effectiveness of DigiRL using the Android-in-the-Wild (AitW) dataset, where our 1.5B VLM trained with RL achieves a 49.5\% absolute improvement -- from 17.7 to 67.2\% success rate -- over supervised fine-tuning with static human demonstration data. It is worth noting that such improvement is achieved without any additional supervision or demonstration data. These results significantly surpass not only the prior best agents, including AppAgent with GPT-4V (8.3\% success rate) and the 17B CogAgent trained with AitW data (14.4\%), but also our implementation of prior best autonomous RL approach based on filtered behavior cloning (57.8\%), thereby establishing a new state-of-the-art for digital agents for in-the-wild device control.
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The poor performance of transformers on arithmetic tasks seems to stem in large part from their inability to keep track of the exact position of each digit inside of a large span of digits. We mend this problem by adding an embedding to each digit that encodes its position relative to the start of the number. In addition to the boost these embeddings provide on their own, we show that this fix enables architectural modifications such as input injection and recurrent layers to improve performance even further. With positions resolved, we can study the logical extrapolation ability of transformers. Can they solve arithmetic problems that are larger and more complex than those in their training data? We find that training on only 20 digit numbers with a single GPU for one day, we can reach state-of-the-art performance, achieving up to 99% accuracy on 100 digit addition problems. Finally, we show that these gains in numeracy also unlock improvements on other multi-step reasoning tasks including sorting and multiplication.
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We present Parametric Piecewise Linear Networks (PPLNs) for temporal vision inference. Motivated by the neuromorphic principles that regulate biological neural behaviors, PPLNs are ideal for processing data captured by event cameras, which are built to simulate neural activities in the human retina. We discuss how to represent the membrane potential of an artificial neuron by a parametric piecewise linear function with learnable coefficients. This design echoes the idea of building deep models from learnable parametric functions recently popularized by Kolmogorov–Arnold Networks (KANs). Experiments demonstrate the state-of-the-art performance of PPLNs in event-based and image-based vision applications, including steering prediction, human pose estimation, and motion deblurring.
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Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.
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We study a data pricing problem, where a seller has access to $N$ homogeneous data points (e.g. drawn i.i.d. from some distribution). There are $m$ types of buyers in the market, where buyers of the same type $i$ have the same valuation curve $v_i:[N]\rightarrow [0,1]$, where $v_i(n)$ is the value for having $n$ data points. *A priori*, the seller is unaware of the distribution of buyers, but can repeat the market for $T$ rounds so as to learn the revenue-optimal pricing curve $p:[N] \rightarrow [0, 1]$. To solve this online learning problem, we first develop novel discretization schemes to approximate any pricing curve. When compared to prior work, the size of our discretization schemes scales gracefully with the approximation parameter, which translates to better regret in online learning. Under assumptions like smoothness and diminishing returns which are satisfied by data, the discretization size can be reduced further. We then turn to the online learning problem, both in the stochastic and adversarial settings. On each round, the seller chooses an *anonymous* pricing curve $p_t$. A new buyer appears and may choose to purchase some amount of data. She then reveals her type *only if* she makes a purchase. Our online algorithms build on classical algorithms such as UCB and FTPL, but require novel ideas to account for the asymmetric nature of this feedback and to deal with the vastness of the space of pricing curves. Using the improved discretization schemes previously developed, we are able to achieve $\widetilde{O}(m\sqrt{T})$ regret in the stochastic setting and $\widetilde{\mathcal{O}}(m^{3/2}\sqrt{T})$ regret in the adversarial setting.
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Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios where transparency is crucial. In this paper, we present a GNN that is interpretable by design. Our model, Graph Neural Additive Network (GNAN), is a novel extension of the interpretable class of Generalized Additive Models, and can be visualized and fully understood by humans. GNAN is designed to be fully interpretable, offering both global and local explanations at the feature and graph levels through direct visualization of the model. These visualizations describe exactly how the model uses the relationships between the target variable, the features, and the graph. We demonstrate the intelligibility of GNANs in a series of examples on different tasks and datasets. In addition, we show that the accuracy of GNAN is on par with black-box GNNs, making it suitable for critical applications where transparency is essential, alongside high accuracy.
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Popular zero-shot models suffer due to artifacts inherited from pretraining. One particularly detrimental issue, caused by unbalanced web-scale pretraining data, is mismatched label distribution. Existing approaches that seek to repair the label distribution are not suitable in zero-shot settings, as they have mismatching requirements, such as needing access to labeled downstream task data or knowledge of the true label balance in the pretraining distribution. We sidestep these challenges and introduce a simple and lightweight approach to adjust pretrained model predictions via optimal transport. Our technique requires only an estimate of the label distribution of a downstream task. Theoretically, we characterize the improvement produced by our procedure under certain mild conditions and provide bounds on the error caused by misspecification. Empirically, we validate our method in a wide array of zero-shot image and text classification tasks, improving accuracy by 4.8% and 15.9% on average, and beating baselines like prior matching---often by significant margins---in 17 out of 21 datasets.
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Can we modify the training data distribution to encourage the underlying optimization method toward finding solutions with superior generalization performance on in-distribution data? In this work, we approach this question for the first time by comparing the inductive bias of gradient descent (GD) with that of sharpness-aware minimization (SAM). By studying a two-layer CNN, we rigorously prove that SAM learns different features more uniformly, particularly in early epochs. That is, SAM is less susceptible to simplicity bias compared to GD. We also show that examples constraining features that are learned early are separable from the rest based on the model’s output. Based on this observation, we propose a method that (i) clusters examples based on the network output early in training, (ii) identifies a cluster of examples with similar network output, and (iii) upsamples the rest of examples only once to alleviate the simplicity bias. We show empirically that USEFUL effectively improves the generalization performance on the original data distribution when training with various gradient methods, including (S)GD and SAM. Notably, we demonstrate that our method can be combined with SAM variants and existing data augmentation strategies to achieve, to the best of our knowledge, state-of-the-art performance for training ResNet18 on CIFAR10, STL10, CINIC10, Tiny-ImageNet; ResNet34 on CIFAR100; and VGG19 and DenseNet121 on CIFAR10.
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We propose a novel approach for training large language models (LLMs) to adhere to objectives defined within a latent embedding space. Our method leverages reinforcement learning (RL), treating a pre-trained LLM as an environment. Our embedding-aligned guided language (EAGLE) agent is trained to iteratively steer the LLM's generation towards optimal regions of the latent embedding space, w.r.t. some predefined criterion. We demonstrate the effectiveness of the EAGLE agent using the MovieLens 25M and Amazon Review datasets to surface content gaps that satisfy latent user demand. We also demonstrate the benefit of using an optimal design of a state-dependent action set to improve EAGLE's efficiency. Our work paves the way for controlled and grounded text generation using LLMs, ensuring consistency with domain-specific knowledge and data representations.
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To address the challenges of sim-to-real gap and sample efficiency in reinforcement learning (RL), this work studies distributionally robust Markov decision processes (RMDPs) --- optimize the worst-case performance when the deployed environment is within an uncertainty set around some nominal MDP. Despite recent efforts, the sample complexity of RMDPs has remained largely undetermined. While the statistical implications of distributional robustness in RL have been explored in some specific cases, the generalizability of the existing findings remains unclear, especially in comparison to standard RL. Assuming access to a generative model that samples from the nominal MDP, we examine the sample complexity of RMDPs using a class of generalized $L_p$ norms as the 'distance' function for the uncertainty set, under two commonly adopted $sa$-rectangular and $s$-rectangular conditions. Our results imply that RMDPs can be more sample-efficient to solve than standard MDPs using generalized $L_p$ norms in both $sa$- and $s$-rectangular cases, potentially inspiring more empirical research. We provide a near-optimal upper bound and a matching minimax lower bound for the $sa$-rectangular scenarios. For $s$-rectangular cases, we improve the state-of-the-art upper bound and also derive a lower bound using $L_\infty$ norm that verifies the tightness.
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Tensor multiplication with learned weight matrices is the fundamental building block in deep learning models. These matrices can often be sparsified, decomposed, quantized, or subjected to random parameter sharing without losing accuracy, suggesting the possibility of more efficient transforms. Although many variants of weight matrices exist, unstructured ones are incompatible with modern hardware, slowing inference and training. On the other hand, structured variants often limit expressivity or fail to deliver the promised latency benefits. We present Sketch Structured Transform (SS1), an expressive and GPU-friendly operator that accelerates inference. SS1 leverages parameter sharing in a random yet structured manner to reduce computation while retraining the rich expressive nature of parameter sharing. We confirm empirically that SS1 offers better quality-efficiency tradeoffs than competing variants. Interestingly SS1 can be combined with Quantization to achieve gains unattainable by either method alone, a finding we justify via theoretical analysis. The analysis may be of independent interest. Moreover, existing pre-trained models can be projected onto SS1 and finetuned for efficient deployment. Surprisingly, these projected models can perform reasonably well even without finetuning. Our experiments highlight various applications of the SS1: (a) Training GPT2 and DLRM models from scratch for faster inference. (b) Finetuning projected BERT models for 1.31× faster inference while maintaining GLUE scores. (c) Proof of concept with Llama-3-8b, showing 1.11× faster wall clock inference using projected SS1 layers without finetuning. We open source our code :https://github.com/apd10/Sketch-Structured-Linear/
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Our work tackles the computational challenges of contrastive learning methods, particularly for the pretraining of Vision Transformers (ViTs). Despite the effectiveness of contrastive learning, the substantial computational resources required for training often hinder their practical application. To mitigate this issue, we propose an acceleration framework, leveraging ViT's unique ability to generalize across inputs of varying sequence lengths. Our method employs a mix of sequence compression strategies, including randomized token dropout and flexible patch scaling, to reduce the cost of gradient estimation and accelerate convergence. We further provide an in-depth analysis of the gradient estimation error of various acceleration strategies as well as their impact on downstream tasks, offering valuable insights into the trade-offs between acceleration and performance. We also propose a novel procedure to identify an optimal acceleration schedule to adjust the sequence compression ratios to the training progress, ensuring efficient training without sacrificing downstream performance. Our approach significantly reduces computational overhead across various self-supervised learning algorithms on large-scale datasets. In ImageNet, our method achieves speedups of 4$\times$ in MoCo, 3.3$\times$ in SimCLR, and 2.5$\times$ in DINO, demonstrating substantial efficiency gains.
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Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm for discrete data is still autoregressive, with more recent alternatives based on diffusion or flow-matching falling short of their impressive performance in continuous data settings, such as image or video generation. In this work, we introduce Fisher-Flow, a novel flow-matching model for discrete data. Fisher-Flow takes a manifestly geometric perspective by considering categorical distributions over discrete data as points residing on a statistical manifold equipped with its natural Riemannian metric: the \emph{Fisher-Rao metric}. As a result, we demonstrate discrete data itself can be continuously reparameterised to points on the positive orthant of the $d$-hypersphere $\mathbb{S}^d_+$, which allows us to define flows that map any source distribution to target in a principled manner by transporting mass along (closed-form) geodesics of $\mathbb{S}^d_+$. Furthermore, the learned flows in Fisher-Flow can be further bootstrapped by leveraging Riemannian optimal transport leading to improved training dynamics. We prove that the gradient flow induced by Fisher-FLow is optimal in reducing the forward KL divergence. We evaluate Fisher-Flow on an array of synthetic and diverse real-world benchmarks, including designing DNA Promoter, and DNA Enhancer sequences. Empirically, we find that Fisher-Flow improves over prior diffusion and flow-matching models on these benchmarks.
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Implicit Neural Representations (INRs) have peaked interest in recent years due to their ability to encode natural signals using neural networks. While INRs allow for useful applications such as interpolating new coordinates and signal compression, their black-box nature makes it difficult to modify them post-training. In this paper we explore the idea of editable INRs, and specifically focus on the widely used cropping operation. To this end, we present Local-Global SIRENs - a novel INR architecture that supports cropping by design. Local-Global SIRENs are based on combining local and global feature extraction for signal encoding. What makes their design unique is the ability to effortlessly remove specific portions of an encoded signal, with a proportional weight decrease. This is achieved by eliminating the corresponding weights from the network, without the need for retraining. We further show how this architecture can be used to support the straightforward extension of previously encoded signals. Beyond signal editing, we examine how the Local-Global approach can accelerate training, enhance encoding of various signals, improve downstream performance, and be applied to modern INRs such as INCODE, highlighting its potential and flexibility. Code is available at https://github.com/maorash/Local-Global-INRs.
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We present a generalization of Nesterov's accelerated gradient descent algorithm. Our algorithm (AGNES) provably achieves acceleration for smooth convex and strongly convex minimization tasks with noisy gradient estimates if the noise intensity is proportional to the magnitude of the gradient at every point. Nesterov's method converges at an accelerated rate if the constant of proportionality is below 1, while AGNES accommodates any signal-to-noise ratio. The noise model is motivated by applications in overparametrized machine learning. AGNES requires only two parameters in convex and three in strongly convex minimization tasks, improving on existing methods. We further provide clear geometric interpretations and heuristics for the choice of parameters.
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Research in auditory, visual, and audiovisual speech recognition (ASR, VSR, and AVSR, respectively) has traditionally been conducted independently. Even recent self-supervised studies addressing two or all three tasks simultaneously tend to yield separate models, leading to disjoint inference pipelines with increased memory requirements and redundancies. This paper proposes unified training strategies for these systems. We demonstrate that training a single model for all three tasks enhances VSR and AVSR performance, overcoming typical optimisation challenges when training from scratch. Moreover, we introduce a greedy pseudo-labelling approach to more effectively leverage unlabelled samples, addressing shortcomings in related self-supervised methods. Finally, we develop a self-supervised pre-training method within our framework, proving its effectiveness alongside our semi-supervised approach. Despite using a single model for all tasks, our unified approach achieves state-of-the-art performance on LRS3 for ASR, VSR, and AVSR compared to recent methods. Code will be made publicly available.
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The sim-to-real gap, which represents the disparity between training and testing environments, poses a significant challenge in reinforcement learning (RL). A promising approach to addressing this challenge is distributionally robust RL, often framed as a robust Markov decision process (RMDP). In this framework, the objective is to find a robust policy that achieves good performance under the worst-case scenario among all environments within a pre-specified uncertainty set centered around the training environment. Unlike previous work, which relies on a generative model or a pre-collected offline dataset enjoying good coverage of the deployment environment, we tackle robust RL via interactive data collection, where the learner interacts with the training environment only and refines the policy through trial and error. In this robust RL paradigm, two main challenges emerge: managing distributional robustness while striking a balance between exploration and exploitation during data collection. Initially, we establish that sample-efficient learning without additional assumptions is unattainable owing to the curse of support shift; i.e., the potential disjointedness of the distributional supports between the training and testing environments. To circumvent such a hardness result, we introduce the vanishing minimal value assumption to RMDPs with a total-variation (TV) distance robust set, postulating that the minimal value of the optimal robust value function is zero. We prove that such an assumption effectively eliminates the support shift issue for RMDPs with a TV distance robust set, and present an algorithm with a provable sample complexity guarantee. Our work makes the initial step to uncovering the inherent difficulty of robust RL via interactive data collection and sufficient conditions for designing a sample-efficient algorithm accompanied by sharp sample complexity analysis.
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Complex 3D scene understanding has gained increasing attention, with scene encoding strategies built on top of visual foundation models playing a crucial role in this success. However, the optimal scene encoding strategies for various scenarios remain unclear, particularly compared to their image-based counterparts. To address this issue, we present the first comprehensive study that probes various visual encoding models for 3D scene understanding, identifying the strengths and limitations of each model across different scenarios. Our evaluation spans seven vision foundation encoders, including image, video, and 3D foundation models. We evaluate these models in four tasks: Vision-Language Scene Reasoning, Visual Grounding, Segmentation, and Registration, each focusing on different aspects of scene understanding. Our evaluation yields key intriguing findings: Unsupervised image foundation models demonstrate superior overall performance, video models excel in object-level tasks, diffusion models benefit geometric tasks, language-pretrained models show unexpected limitations in language-related tasks, and the mixture-of-vision-expert (MoVE) strategy leads to consistent performance improvement. These insights challenge some conventional understandings, provide novel perspectives on leveraging visual foundation models, and highlight the need for more flexible encoder selection in future vision-language and scene understanding tasks.
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The Gauss-Newton (GN) matrix plays an important role in machine learning, most evident in its use as a preconditioning matrix for a wide family of popular adaptive methods to speed up optimization. Besides, it can also provide key insights into the optimization landscape of neural networks. In the context of deep neural networks, understanding the GN matrix involves studying the interaction between different weight matrices as well as the dependencies introduced by the data, thus rendering its analysis challenging. In this work, we take a first step towards theoretically characterizing the conditioning of the GN matrix in neural networks. We establish tight bounds on the condition number of the GN in deep linear networks of arbitrary depth and width, which we also extend to two-layer ReLU networks. We expand the analysis to further architectural components, such as residual connections and convolutional layers. Finally, we empirically validate the bounds and uncover valuable insights into the influence of the analyzed architectural components.
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Universal image representations are critical in enabling real-world fine-grained and instance-level recognition applications, where objects and entities from any domain must be identified at large scale. Despite recent advances, existing methods fail to capture important domain-specific knowledge, while also ignoring differences in data distribution across different domains. This leads to a large performance gap between efficient universal solutions and expensive approaches utilising a collection of specialist models, one for each domain. In this work, we make significant strides towards closing this gap, by introducing a new learning technique, dubbed UDON (Universal Dynamic Online distillatioN). UDON employs multi-teacher distillation, where each teacher is specialized in one domain, to transfer detailed domain-specific knowledge into the student universal embedding. UDON's distillation approach is not only effective, but also very efficient, by sharing most model parameters between the student and all teachers, where all models are jointly trained in an online manner. UDON also comprises a sampling technique which adapts the training process to dynamically allocate batches to domains which are learned slower and require more frequent processing. This boosts significantly the learning of complex domains which are characterised by a large number of classes and long-tail distributions. With comprehensive experiments, we validate each component of UDON, and showcase significant improvements over the state of the art in the recent UnED benchmark. Code: https://github.com/nikosips/UDON.
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As generative large language models (LLMs) such as ChatGPT gain widespread adoption in various domains, their potential to propagate and amplify social biases, particularly in high-stakes areas such as the labor market, has become a pressing concern. AI algorithms are not only widely used in the selection of job applicants, individual job seekers may also make use of generative LLMs to help develop their job application materials. Against this backdrop, this research builds on a novel experimental design to examine social biases within ChatGPT-generated job applications in response to real job advertisements. By simulating the process of job application creation, we examine the language patterns and biases that emerge when the model is prompted with diverse job postings. Notably, we present a novel bias evaluation framework based on Masked Language Models to quantitatively assess social bias based on validated inventories of social cues/words, enabling a systematic analysis of the language used. Our findings show that the increasing adoption of generative AI, not only by employers but also increasingly by individual job seekers, can reinforce and exacerbate gender and social inequalities in the labor market through the use of biased and gendered language.
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Ensuring robust 3D object detection and localization is crucial for many applications in robotics and autonomous driving. Recent models, however, face difficulties in maintaining high performance when applied to domains with differing sensor setups or geographic locations, often resulting in poor localization accuracy due to domain shift. To overcome this challenge, we introduce a novel diffusion-based box refinement approach. This method employs a domain-agnostic diffusion model, conditioned on the LiDAR points surrounding a coarse bounding box, to simultaneously refine the box's location, size, and orientation. We evaluate this approach under various domain adaptation settings, and our results reveal significant improvements across different datasets, object classes and detectors. Our PyTorch implementation is available at https://github.com/cxy1997/DiffuBox.
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In federated learning, it is common to assume that clients are always available to participate in training, which may not be feasible with user devices in practice. Recent works analyze federated learning under more realistic participation patterns, such as cyclic client availability or arbitrary participation. However, all such works either require strong assumptions (e.g., all clients participate almost surely within a bounded window), do not achieve linear speedup and reduced communication rounds, or are not applicable in the general non-convex setting. In this work, we focus on nonconvex optimization and consider participation patterns in which the chance of participation over a fixed window of rounds is equal among all clients, which includes cyclic client availability as a special case. Under this setting, we propose a new algorithm, named Amplified SCAFFOLD, and prove that it achieves linear speedup, reduced communication, and resilience to data heterogeneity simultaneously. In particular, for cyclic participation, our algorithm is proved to enjoy $\mathcal{O}(\epsilon^{-2})$ communication rounds to find an $\epsilon$-stationary point in the non-convex stochastic setting. In contrast, the prior work under the same setting requires $\mathcal{O}(\kappa^2 \epsilon^{-4})$ communication rounds, where $\kappa$ denotes the data heterogeneity. Therefore, our algorithm significantly reduces communication rounds due to better dependency in terms of $\epsilon$ and $\kappa$. Our analysis relies on a fine-grained treatment of the nested dependence between client participation and errors in the control variates, which results in tighter guarantees than previous work. We also provide experimental results with (1) synthetic data and (2) real-world data with a large number of clients $(N = 250)$, demonstrating the effectiveness of our algorithm under periodic client participation.
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Self-training often falls short under distribution shifts due to an increased discrepancy between prediction confidence and actual accuracy. This typically necessitates computationally demanding methods such as neighborhood or ensemble-based label corrections. Drawing inspiration from insights on early learning regularization, we develop a principled method to improve self-training under distribution shifts based on temporal consistency. Specifically, we build an uncertainty-aware temporal ensemble with a simple relative thresholding. Then, this ensemble smooths noisy pseudo labels to promote selective temporal consistency. We show that our temporal ensemble is asymptotically correct and our label smoothing technique can reduce the optimality gap of self-training. Our extensive experiments validate that our approach consistently improves self-training performances by 8% to 16% across diverse distribution shift scenarios without a computational overhead. Besides, our method exhibits attractive properties, such as improved calibration performance and robustness to different hyperparameter choices.
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Diffusion-based text-to-video (T2V) models have achieved significant success but continue to be hampered by the slow sampling speed of their iterative sampling processes. To address the challenge, consistency models have been proposed to facilitate fast inference, albeit at the cost of sample quality. In this work, we aim to break the quality bottleneck of a video consistency model (VCM) to achieve **both fast and high-quality video generation**. We introduce T2V-Turbo, which integrates feedback from a mixture of differentiable reward models into the consistency distillation (CD) process of a pre-trained T2V model. Notably, we directly optimize rewards associated with single-step generations that arise naturally from computing the CD loss, effectively bypassing the memory constraints imposed by backpropagating gradients through an iterative sampling process. Remarkably, the 4-step generations from our T2V-Turbo achieve the highest total score on VBench, even surpassing Gen-2 and Pika. We further conduct human evaluations to corroborate the results, validating that the 4-step generations from our T2V-Turbo are preferred over the 50-step DDIM samples from their teacher models, representing more than a tenfold acceleration while improving video generation quality.
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Contrastive Language-Image Pretraining (CLIP) models maximize the mutual information between text and visual modalities to learn representations. This makes the nature of the training data a significant factor in the efficacy of CLIP for downstream tasks. However, the lack of compositional diversity in contemporary image-text datasets limits the compositional reasoning ability of CLIP. We show that generating ``hard'' negative captions via in-context learning and synthesizing corresponding negative images with text-to-image generators offers a solution. We introduce a novel contrastive pre-training strategy that leverages these hard negative captions and images in an alternating fashion to train CLIP. We demonstrate that our method, named TripletCLIP, when applied to existing datasets such as CC3M and CC12M, enhances the compositional capabilities of CLIP, resulting in an absolute improvement of over 9% on the SugarCrepe benchmark on an equal computational budget, as well as improvements in zero-shot image classification and image retrieval. Our code, models, and data are available at: tripletclip.github.io.
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Canonical work handling distribution shifts typically necessitates an entire target distribution that lands inside the training distribution. However, practical scenarios often involve only a handful target samples, potentially lying outside the training support, which requires the capability of extrapolation. In this work, we aim to provide a theoretical understanding of when extrapolation is possible and offer principled methods to achieve it without requiring an on-support target distribution. To this end, we formulate the extrapolation problem with a latent-variable model that embodies the minimal change principle in causal mechanisms. Under this formulation, we cast the extrapolation problem into a latent-variable identification problem. We provide realistic conditions on shift properties and the estimation objectives that lead to identification even when only one off-support target sample is available, tackling the most challenging scenarios. Our theory reveals the intricate interplay between the underlying manifold's smoothness and the shift properties. We showcase how our theoretical results inform the design of practical adaptation algorithms. Through experiments on both synthetic and real-world data, we validate our theoretical findings and their practical implications.
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Watermarking is a technique that involves embedding nearly unnoticeable statistical signals within generated content to help trace its source. This work focuses on a scenario where an untrusted third-party user sends prompts to a trusted language model (LLM) provider, who then generates a text from their LLM with a watermark. This setup makes it possible for a detector to later identify the source of the text if the user publishes it. The user can modify the generated text by substitutions, insertions, or deletions. Our objective is to develop a statistical method to detect if a published text is LLM-generated from the perspective of a detector. We further propose a methodology to segment the published text into watermarked and non-watermarked sub-strings. The proposed approach is built upon randomization tests and change point detection techniques. We demonstrate that our method ensures Type I and Type II error control and can accurately identify watermarked sub-strings by finding the corresponding change point locations. To validate our technique, we apply it to texts generated by several language models with prompts extracted from Google's C4 dataset and obtain encouraging numerical results. We release all code publicly at https://github.com/doccstat/llm-watermark-cpd.
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We propose ESPACE, an LLM compression technique based on dimensionality reduction of activations. Unlike prior works on weight-centric tensor decomposition, ESPACE projects activations onto a pre-calibrated set of principal components. The activation-centrality of the approach enables retraining LLMs with no loss of expressivity; while at inference, weight decomposition is obtained as a byproduct of matrix multiplication associativity. Theoretical results on the construction of projection matrices with optimal computational accuracy are provided. Experimentally, we find ESPACE enables 50% compression of GPT3, Llama2, and Nemotron4 models with small accuracy degradation, as low as a 0.18 perplexity increase on GPT3-22B. At lower compression rates of 20% to 40%, ESPACE drives GPT3 models to outperforming their baseline, by up to a 0.38 decrease in perplexity for GPT3-8B. ESPACE also reduces GEMM execution time and prefill inference latency on existing hardware. Comparison with related works on compressing Llama2-7B via matrix factorization shows that ESPACE is a first step in advancing the state-of-the-art in tensor decomposition compression of LLMs.
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We study the density estimation problem defined as follows: given $k$ distributions $p_1, \ldots, p_k$ over a discrete domain $[n]$, as well as a collection of samples chosen from a "query" distribution $q$ over $[n]$, output $p_i$ that is "close" to $q$. Recently Aamand et al. gave the first and only known result that achieves sublinear bounds in both the sampling complexity and the query time while preserving polynomial data structure space. However, their improvement over linear samples and time is only by subpolynomial factors. Our main result is a lower bound showing that, for a broad class of data structures, their bounds cannot be significantly improved. In particular, if an algorithm uses $O(n/\log^c k)$ samples for some constant $c>0$ and polynomial space, then the query time of the data structure must be at least $k^{1-O(1)/\log \log k}$, i.e., close to linear in the number of distributions $k$. This is a novel statistical-computational trade-off for density estimation, demonstrating that any data structure must use close to a linear number of samples or take close to linear query time. The lower bound holds even in the realizable case where $q=p_i$ for some $i$, and when the distributions are flat (specifically, all distributions are uniform over half of the domain $[n]$). We also give a simple data structure for our lower bound instance with asymptotically matching upper bounds. Experiments show that the data structure is quite efficient in practice.
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Due to statistical lower bounds on the learnability of many function classes under privacy constraints, there has been recent interest in leveraging public data to improve the performance of private learning algorithms. In this model, algorithms must always guarantee differential privacy with respect to the private samples while also ensuring learning guarantees when the private data distribution is sufficiently close to that of the public data. Previous work has demonstrated that when sufficient public, unlabelled data is available, private learning can be made statistically tractable, but the resulting algorithms have all been computationally inefficient. In this work, we present the first computationally efficient, algorithms to provably leverage public data to learn privately whenever a function class is learnable non-privately, where our notion of computational efficiency is with respect to the number of calls to an optimization oracle for the function class. In addition to this general result, we provide specialized algorithms with improved sample complexities in the special cases when the function class is convex or when the task is binary classification.
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Provably Mitigating Overoptimization in RLHF: Your SFT Loss is Implicitly an Adversarial Regularizer
Aligning generative models with human preference via RLHF typically suffers from overoptimization, where an imperfectly learned reward model can misguide the generative model to output even undesired responses. We investigate this problem in a principled manner by identifying the source of the issue as the distributional shift and uncertainty of human preference in dataset. To mitigate overoptimization, we first propose a theoretical algorithm which optimizes the policy against an adversarially chosen reward model, one that simultaneously minimizes its MLE loss and a reward penalty term. The penalty pessimistically biases the uncertain rewards so as to prevent the policy from choosing actions with spursiouly high proxy rewards, resulting in provable sample efficiency of the algorithm under a partial coverage style condition. Moving from theory to practice, the proposed algorithm further enjoys an equivalent but surprisingly easy to implement form. With a clever usage of the equivalence between reward models and the corresponding optimal policy, the algorithm features a simple objective that combines (i) a preference optimization loss that directly aligns the policy with human preference, and (ii) a supervised learning loss which explicitly imitates the policy with a baseline distribution. In the context of aligning large language models (LLM), this objective fuses the direct preference optimization (DPO) loss with the supervised fune-tuning (SFT) loss to help mitigate the overoptimization towards undesired responses, for which we name the algorithm Regularized Preference Optimization (RPO). Experiments of aligning LLMs demonstrate the improved performance of our method when compared with DPO baselines. Our work sheds light on the interplay between preference optimization and SFT in tuning LLMs with both theoretical guarantees and empirical evidence.
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Neural Episodic Control is a powerful reinforcement learning framework that employs a differentiable dictionary to store non-parametric memories. It was inspired by episodic memory on the functional level, but lacks a direct theoretical connection to the associative memory models generally used to implement such a memory. We first show that the dictionary is an instance of the recently proposed Universal Hopfield Network framework. We then introduce a continuous approximation of the dictionary readout operation in order to derive two energy functions that are Lyapunov functions of the dynamics. Finally, we empirically show that the dictionary outperforms the Max separation function, which had previously been argued to be optimal, and that performance can further be improved by replacing the Euclidean distance kernel by a Manhattan distance kernel. These results are enabled by the generalization capabilities of the dictionary, so a novel criterion is introduced to disentangle memorization from generalization when evaluating associative memory models.
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Learning concepts from natural high-dimensional data (e.g., images) holds potential in building human-aligned and interpretable machine learning models. Despite its encouraging prospect, formalization and theoretical insights into this crucial task are still lacking. In this work, we formalize concepts as discrete latent causal variables that are related via a hierarchical causal model that encodes different abstraction levels of concepts embedded in high-dimensional data (e.g., a dog breed and its eye shapes in natural images). We formulate conditions to facilitate the identification of the proposed causal model, which reveals when learning such concepts from unsupervised data is possible. Our conditions permit complex causal hierarchical structures beyond latent trees and multi-level directed acyclic graphs in prior work and can handle high-dimensional, continuous observed variables, which is well-suited for unstructured data modalities such as images. We substantiate our theoretical claims with synthetic data experiments. Further, we discuss our theory's implications for understanding the underlying mechanisms of latent diffusion models and provide corresponding empirical evidence for our theoretical insights.
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Recent advancements in generative AI suggest the potential for large-scale interaction between autonomous agents and humans across platforms such as the internet. While such interactions could foster productive cooperation, the ability of AI agents to circumvent security oversight raises critical multi-agent security problems, particularly in the form of unintended information sharing or undesirable coordination. In our work, we establish the subfield of secret collusion, a form of multi-agent deception, in which two or more agents employ steganographic methods to conceal the true nature of their interactions, be it communicative or otherwise, from oversight. We propose a formal threat model for AI agents communicating steganographically and derive rigorous theoretical insights about the capacity and incentives of large language models (LLMs) to perform secret collusion, in addition to the limitations of threat mitigation measures. We complement our findings with empirical evaluations demonstrating rising steganographic capabilities in frontier single and multi-agent LLM setups and examining potential scenarios where collusion may emerge, revealing limitations in countermeasures such as monitoring, paraphrasing, and parameter optimization. Our work is the first to formalize and investigate secret collusion among frontier foundation models, identifying it as a critical area in AI Safety and outlining a comprehensive research agenda to mitigate future risks of collusion between generative AI systems.
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It is commonplace to produce application-specific models by fine-tuning large pre-trained models using a small bespoke dataset. The widespread availability of foundation model checkpoints on the web poses considerable risks, including the vulnerability to backdoor attacks. In this paper, we unveil a new vulnerability: the privacy backdoor attack. This black-box privacy attack aims to amplify the privacy leakage that arises when fine-tuning a model: when a victim fine-tunes a backdoored model, their training data will be leaked at a significantly higher rate than if they had fine-tuned a typical model. We conduct extensive experiments on various datasets and models, including both vision-language models (CLIP) and large language models, demonstrating the broad applicability and effectiveness of such an attack. Additionally, we carry out multiple ablation studies with different fine-tuning methods and inference strategies to thoroughly analyze this new threat. Our findings highlight a critical privacy concern within the machine learning community and call for a re-evaluation of safety protocols in the use of open-source pre-trained models.
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Kernel methods are widely utilized in machine learning field to learn, from training data, a latent function in a reproducing kernel Hilbert space. It is well known that the approximator thus obtained usually achieves a linear representation, which brings various computational benefits, while maintaining great representation power (i.e., universal approximation). However, when non-negativity constraints are imposed on the function's outputs, the literature usually takes the kernel method-based approximators as offering linear representations at the expense of limited model flexibility or good representation power by allowing for their nonlinear forms. The main contribution of this paper is to derive a sufficient condition for a positive definite kernel so that it may construct flexible and linear approximators of non-negative functions. We call a kernel function that offers these attributes an *inverse M-kernel*; it is reminiscent of the inverse M-matrix. Furthermore, we show that for a one-dimensional input space, universal exponential/Abel kernels are inverse M-kernels and construct linear universal approximators of non-negative functions. To the best of our knowledge, it is the first time that the existence of linear universal approximators of non-negative functions has been elucidated. We confirm the effectiveness of our results by experiments on the problems of non-negativity-constrained regression, density estimation, and intensity estimation. Finally, we discuss issues and perspectives on multi-dimensional input settings.
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We formalize the problem of prompt compression for large language models (LLMs) and present a framework to unify token-level prompt compression methods which create hard prompts for black-box models. We derive the distortion-rate function for this setup as a linear program, and provide an efficient algorithm to compute this fundamental limit via the dual of the linear program. Using the distortion-rate function as the baseline, we study the performance of existing compression schemes on a synthetic dataset consisting of prompts generated from a Markov chain, natural language queries, and their respective answers. Our empirical analysis demonstrates the criticality of query-aware prompt compression, where the compressor has knowledge of the downstream task/query for the black-box LLM. We show that there is a large gap between the performance of current prompt compression methods and the optimal strategy, and propose Adaptive QuerySelect, a query-aware, variable-rate adaptation of a prior work to close the gap. We extend our experiments to a small natural language dataset to further confirm our findings on our synthetic dataset.
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Knowledge Graph Embedding (KGE) techniques are crucial in learning compact representations of entities and relations within a knowledge graph, facilitating efficient reasoning and knowledge discovery. While existing methods typically focus either on training KGE models solely based on graph structure or fine-tuning pre-trained language models with classification data in KG, KG-FIT leverages LLM-guided refinement to construct a semantically coherent hierarchical structure of entity clusters. By incorporating this hierarchical knowledge along with textual information during the fine-tuning process, KG-FIT effectively captures both global semantics from the LLM and local semantics from the KG. Extensive experiments on the benchmark datasets FB15K-237, YAGO3-10, and PrimeKG demonstrate the superiority of KG-FIT over state-of-the-art pre-trained language model-based methods, achieving improvements of 14.4\%, 13.5\%, and 11.9\% in the Hits@10 metric for the link prediction task, respectively. Furthermore, KG-FIT yields substantial performance gains of 12.6\%, 6.7\%, and 17.7\% compared to the structure-based base models upon which it is built. These results highlight the effectiveness of KG-FIT in incorporating open-world knowledge from LLMs to significantly enhance the expressiveness and informativeness of KG embeddings.
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In many reinforcement learning (RL) applications, incorporating heuristic rewards alongside the task reward is crucial for achieving desirable performance. Heuristics encode prior human knowledge about how a task should be done, providing valuable hints for RL algorithms. However, such hints may not be optimal, limiting the performance of learned policies. The currently established way of using heuristics is to modify the heuristic reward in a manner that ensures that the optimal policy learned with it remains the same as the optimal policy for the task reward (i.e., optimal policy invariance). However, these methods often fail in practical scenarios with limited training data. We found that while optimal policy invariance ensures convergence to the best policy based on task rewards, it doesn't guarantee better performance than policies trained with biased heuristics under a finite data regime, which is impractical. In this paper, we introduce a new principle tailored for finite data settings. Instead of enforcing optimal policy invariance, we train a policy that combines task and heuristic rewards and ensures it outperforms the heuristic-trained policy. As such, we prevent policies from merely exploiting heuristic rewards without improving the task reward. Our experiments on robotic locomotion, helicopter control, and manipulation tasks demonstrate that our method consistently outperforms the heuristic policy, regardless of the heuristic rewards' quality. Code is available at https://github.com/Improbable-AI/hepo.
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In this work, we propose Asynchronous Perception Machine (APM), a computationally-efficient architecture for test-time-training (TTT). APM can process patches of an image one at a time in any order asymmetrically, and still encode semantic-awareness in the net. We demonstrate APM’s ability to recognize out-of-distribution images without dataset-specific pre-training, augmentation or any-pretext task. APM offers competitive performance over existing TTT approaches. To perform TTT, APM just distills test sample’s representation once. APM possesses a unique property: it can learn using just this single representation and starts predicting semantically-aware features. APM’s ability to recover semantic information from a global CLS token validates the insight that CLS tokens encode geometric-information of a given scene and can be recovered using appropriate inductive-biases. This offers a novel-insight with consequences for representational-learning. APM demostrates potential applications beyond test-time-training: APM can scale up to a dataset of 2D images and yield semantic-clusterings in a single forward pass. APM also provides first empirical evidence towards validating Hinton at Al’s GLOM’s insight, i.e. if input percept is a field. Therefore, APM helps our community converge towards an implementation which can do both interpolation and perception on a shared-connectionist hardware. Our codebase has been made available at https://rajatmodi62.github.io/apm_project_page/ -------- **It now appears that some of the ideas in GLOM could be made to work.** https://www.technologyreview.com/2021/04/16/1021871/geoffrey-hinton-glom-godfather-ai-neural-networks/ ``` .-""""""-. .' '. / O O \ | O | \ '------' / '. .' '-....-' Silent men in deep-contemplation. Silent men emerges only sometimes. Silent men love all. Silent men practice slow science. ```
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We consider stochastic optimization problems where the objective depends on some parameter, as commonly found in hyperparameter optimization for instance. We investigate the behavior of the derivatives of the iterates of Stochastic Gradient Descent (SGD) with respect to that parameter and show that they are driven by an inexact SGD recursion on a different objective function, perturbed by the convergence of the original SGD. This enables us to establish that the derivatives of SGD converge to the derivative of the solution mapping in terms of mean squared error whenever the objective is strongly convex. Specifically, we demonstrate that with constant step-sizes, these derivatives stabilize within a noise ball centered at the solution derivative, and that with vanishing step-sizes they exhibit $O(\log(k)^2 / k)$ convergence rates. Additionally, we prove exponential convergence in the interpolation regime. Our theoretical findings are illustrated by numerical experiments on synthetic tasks.
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While traditional federated learning (FL) typically focuses on a star topology where clients are directly connected to a central server, real-world distributed systems often exhibit hierarchical architectures. Hierarchical FL (HFL) has emerged as a promising solution to bridge this gap, leveraging aggregation points at multiple levels of the system. However, existing algorithms for HFL encounter challenges in dealing with multi-timescale model drift, i.e., model drift occurring across hierarchical levels of data heterogeneity. In this paper, we propose a multi-timescale gradient correction (MTGC) methodology to resolve this issue. Our key idea is to introduce distinct control variables to (i) correct the client gradient towards the group gradient, i.e., to reduce client model drift caused by local updates based on individual datasets, and (ii) correct the group gradient towards the global gradient, i.e., to reduce group model drift caused by FL over clients within the group. We analytically characterize the convergence behavior of MTGC under general non-convex settings, overcoming challenges associated with couplings between correction terms. We show that our convergence bound is immune to the extent of data heterogeneity, confirming the stability of the proposed algorithm against multi-level non-i.i.d. data. Through extensive experiments on various datasets and models, we validate the effectiveness of MTGC in diverse HFL settings. The code for this project is available at https://github.com/wenzhifang/MTGC.
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Humans are autotelic agents who learn by setting and pursuing their own goals. However, the precise mechanisms guiding human goal selection remain unclear. Learning progress, typically measured as the observed change in performance, can provide a valuable signal for goal selection in both humans and artificial agents. We hypothesize that human choices of goals may also be driven by _latent learning progress_, which humans can estimate through knowledge of their actions and the environment – even without experiencing immediate changes in performance. To test this hypothesis, we designed a hierarchical reinforcement learning task in which human participants (N = 175) repeatedly chose their own goals and learned goal-conditioned policies. Our behavioral and computational modeling results confirm the influence of latent learning progress on goal selection and uncover inter-individual differences, partially mediated by recognition of the task's hierarchical structure. By investigating the role of latent learning progress in human goal selection, we pave the way for more effective and personalized learning experiences as well as the advancement of more human-like autotelic machines.
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In machine learning (ML), a widespread claim is that the area under the precision-recall curve (AUPRC) is a superior metric for model comparison to the area under the receiver operating characteristic (AUROC) for tasks with class imbalance. This paper refutes this notion on two fronts. First, we theoretically characterize the behavior of AUROC and AUPRC in the presence of model mistakes, establishing clearly that AUPRC is not generally superior in cases of class imbalance. We further show that AUPRC can be a harmful metric as it can unduly favor model improvements in subpopulations with more frequent positive labels, heightening algorithmic disparities. Next, we empirically support our theory using experiments on both semi-synthetic and real-world fairness datasets. Prompted by these insights, we conduct a review of over 1.5 million scientific papers to understand the origin of this invalid claim, finding that it is often made without citation, misattributed to papers that do not argue this point, and aggressively over-generalized from source arguments. Our findings represent a dual contribution: a significant technical advancement in understanding the relationship between AUROC and AUPRC and a stark warning about unchecked assumptions in the ML community.
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We consider the problem of estimating a structured multivariate density, subject to Markov conditions implied by an undirected graph. In the worst case, without Markovian assumptions, this problem suffers from the curse of dimensionality. Our main result shows how the curse of dimensionality can be avoided or greatly alleviated under the Markov property, and applies to arbitrary graphs. While existing results along these lines focus on sparsity or manifold assumptions, we introduce a new graphical quantity called ``graph resilience'' and show that it dictates the optimal sample complexity. Surprisingly, although one might expect the sample complexity of this problem to scale with local graph parameters such as the degree, this turns out not to be the case. Through explicit examples, we compute uniform deviation bounds and illustrate how the curse of dimensionality in density estimation can thus be circumvented. Notable examples where the rate improves substantially include sequential, hierarchical, and spatial data.
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This paper studies the problem of rigid dynamics modeling, which has a wide range of applications in robotics, graphics, and mechanical design. The problem is partly solved by graph neural network (GNN) simulators. However, these approaches cannot effectively handle the relationship between intrinsic continuity and instantaneous changes in rigid dynamics. Moreover, they usually neglect hierarchical structures across mesh nodes and objects in systems. In this paper, we propose a novel approach named Event-attend Graph ODE (EGODE) for effective rigid dynamics modeling. In particular, we describe the rigid system using both mesh node representations and object representations. To model continuous dynamics across hierarchical structures, we use a coupled graph ODE framework for the evolution of both types of representations over a long period. In addition, to capture instantaneous changes during the collision, we introduce an event module, which can effectively estimate the occurrence of the collision and update the states of both mesh node and object representations during evolution. Extensive experiments on a range of benchmark datasets validate the superiority of the proposed EGODE compared to various state-of-the-art baselines. The source code can be found at https://github.com/yuanjypku/EGODE.
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This paper aims at developing novel shuffling gradient-based methods for tackling two classes of minimax problems: nonconvex-linear and nonconvex-strongly concave settings. The first algorithm addresses the nonconvex-linear minimax model and achieves the state-of-the-art oracle complexity typically observed in nonconvex optimization. It also employs a new shuffling estimator for the ``hyper-gradient'', departing from standard shuffling techniques in optimization. The second method consists of two variants: semi-shuffling and full-shuffling schemes. These variants tackle the nonconvex-strongly concave minimax setting. We establish their oracle complexity bounds under standard assumptions, which, to our best knowledge, are the best-known for this specific setting. Numerical examples demonstrate the performance of our algorithms and compare them with two other methods. Our results show that the new methods achieve comparable performance with SGD, supporting the potential of incorporating shuffling strategies into minimax algorithms.
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Medical time series (MedTS) data, such as Electroencephalography (EEG) and Electrocardiography (ECG), play a crucial role in healthcare, such as diagnosing brain and heart diseases. Existing methods for MedTS classification primarily rely on handcrafted biomarkers extraction and CNN-based models, with limited exploration of transformer-based models. In this paper, we introduce Medformer, a multi-granularity patching transformer tailored specifically for MedTS classification. Our method incorporates three novel mechanisms to leverage the unique characteristics of MedTS: cross-channel patching to leverage inter-channel correlations, multi-granularity embedding for capturing features at different scales, and two-stage (intra- and inter-granularity) multi-granularity self-attention for learning features and correlations within and among granularities. We conduct extensive experiments on five public datasets under both subject-dependent and challenging subject-independent setups. Results demonstrate Medformer's superiority over 10 baselines, achieving top averaged ranking across five datasets on all six evaluation metrics. These findings underscore the significant impact of our method on healthcare applications, such as diagnosing Myocardial Infarction, Alzheimer's, and Parkinson's disease. We release the source code at https://github.com/DL4mHealth/Medformer.
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Meta-reinforcement learning (Meta-RL) has attracted attention due to its capability to enhance reinforcement learning (RL) algorithms, in terms of data efficiency and generalizability. In this paper, we develop a bilevel optimization framework for meta-RL (BO-MRL) to learn the meta-prior for task-specific policy adaptation, which implements multiple-step policy optimization on one-time data collection. Beyond existing meta-RL analyses, we provide upper bounds of the expected optimality gap over the task distribution. This metric measures the distance of the policy adaptation from the learned meta-prior to the task-specific optimum, and quantifies the model's generalizability to the task distribution. We empirically validate the correctness of the derived upper bounds and demonstrate the superior effectiveness of the proposed algorithm over benchmarks.
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Large language models (LLMs) are trained on a deluge of text data with limited quality control. As a result, LLMs can exhibit unintended or even harmful behaviours, such as leaking information, fake news or hate speech. Countermeasures, commonly referred to as preference alignment, include fine-tuning the pretrained LLMs with carefully crafted text examples of desired behaviour. Even then, empirical evidence shows preference aligned LLMs can be enticed to harmful behaviour. This so called jailbreaking of LLMs is typically achieved by adversarially modifying the input prompt to the LLM. Our paper provides theoretical insights into the phenomenon of preference alignment and jailbreaking from a statistical perspective. Under our framework, we first show that pretrained LLMs will mimic harmful behaviour if present in the training corpus. \textbf{Under that same framework, we then introduce a statistical notion of alignment, and lower-bound the jailbreaking probability, showing that it is unpreventable under reasonable assumptions.} Based on our insights, we propose an alteration to the currently prevalent alignment strategy RLHF. Specifically, we introduce a simple modification to the RLHF objective, we call \emph{E-RLHF}, that aims to increase the likelihood of safe responses. \emph{E-RLHF} brings no additional training cost, and is compatible with other methods. Empirically, we demonstrate that \emph{E-RLHF} outperforms RLHF on all alignment problems put forward by the AdvBench \citep{zou2023universal} and HarmBench project \citep{mazeika2024harmbench} without sacrificing model performance as measured by the MT-Bench project \citep{zheng2024judging}.
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Quanta image sensors, such as SPAD arrays, are an emerging sensor technology, producing 1-bit arrays representing photon detection events over exposures as short as a few nanoseconds. In practice, raw data are post-processed using heavy spatiotemporal binning to create more useful and interpretable images at the cost of degrading spatiotemporal resolution. In this work, we propose bit2bit, a new method for reconstructing high-quality image stacks at the original spatiotemporal resolution from sparse binary quanta image data. Inspired by recent work on Poisson denoising, we developed an algorithm that creates a dense image sequence from sparse binary photon data by predicting the photon arrival location probability distribution. However, due to the binary nature of the data, we show that the assumption of a Poisson distribution is inadequate. Instead, we model the process with a Bernoulli lattice process from the truncated Poisson. This leads to the proposal of a novel self-supervised solution based on a masked loss function. We evaluate our method using both simulated and real data. On simulated data from a conventional video, we achieve 34.35 mean PSNR with extremely photon-sparse binary input (<0.06 photons per pixel per frame). We also present a novel dataset containing a wide range of real SPAD high-speed videos under various challenging imaging conditions. The scenes cover strong/weak ambient light, strong motion, ultra-fast events, etc., which will be made available to the community, on which we demonstrate the promise of our approach. Both reconstruction quality and throughput substantially surpass the state-of-the-art methods (e.g., Quanta Burst Photography (QBP)). Our approach significantly enhances the visualization and usability of the data, enabling the application of existing analysis techniques.
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Push-Relabel is one of the most celebrated network flow algorithms. Maintaining a pre-flow that saturates a cut, it enjoys better theoretical and empirical running time than other flow algorithms, such as Ford-Fulkerson. In practice, Push-Relabel is even faster than what theoretical guarantees can promise, in part because of the use of good heuristics for seeding and updating the iterative algorithm. However, it remains unclear how to run Push-Relabel on an arbitrary initialization that is not necessarily a pre-flow or cut-saturating. We provide the first theoretical guarantees for warm-starting Push-Relabel with a predicted flow, where our learning-augmented version benefits from fast running time when the predicted flow is close to an optimal flow, while maintaining robust worst-case guarantees. Interestingly, our algorithm uses the gap relabeling heuristic, which has long been employed in practice, even though prior to our work there was no rigorous theoretical justification for why it can lead to run-time improvements. We then show our algorithmic framework works well in practice, as our warm-start version of Push-Relabel improves over the cold-start version by a larger and larger percentage as the size of the image increases.
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We introduce and study the problem of detecting whether an agent is updating their prior beliefs given new evidence in an optimal way that is Bayesian, or whether they are biased towards their own prior. In our model, biased agents form posterior beliefs that are a convex combination of their prior and the Bayesian posterior, where the more biased an agent is, the closer their posterior is to the prior. Since we often cannot observe the agent's beliefs directly, we take an approach inspired by *information design*. Specifically, we measure an agent's bias by designing a *signaling scheme* and observing the actions they take in response to different signals, assuming that they are maximizing their own expected utility; our goal is to detect bias with a minimum number of signals. Our main results include a characterization of scenarios where a single signal suffices and a computationally efficient algorithm to compute optimal signaling schemes.
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Online learning methods, like the seminal Passive-Aggressive (PA) classifier, are still highly effective for high-dimensional streaming data, out-of-core processing, and other throughput-sensitive applications. Many such algorithms rely on fast adaptation to individual errors as a key to their convergence. While such algorithms enjoy low theoretical regret, in real-world deployment they can be sensitive to individual outliers that cause the algorithm to over-correct. When such outliers occur at the end of the data stream, this can cause the final solution to have unexpectedly low accuracy. We design a weighted reservoir sampling (WRS) approach to obtain a stable ensemble model from the sequence of solutions without requiring additional passes over the data, hold-out sets, or a growing amount of memory. Our key insight is that good solutions tend to be error-free for more iterations than bad solutions, and thus, the number of passive rounds provides an estimate of a solution's relative quality. Our reservoir thus contains $K$ previous intermediate weight vectors with high survival times. We demonstrate our WRS approach on the Passive-Aggressive Classifier (PAC) and First-Order Sparse Online Learning (FSOL), where our method consistently and significantly outperforms the unmodified approach. We show that the risk of the ensemble classifier is bounded with respect to the regret of the underlying online learning method.
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The goal of this paper is to improve the generality and accuracy of open-vocabulary object counting in images. To improve the generality, we repurpose an open-vocabulary detection foundation model (GroundingDINO) for the counting task, and also extend its capabilities by introducing modules to enable specifying the target object to count by visual exemplars. In turn, these new capabilities -- being able to specify the target object by multi-modalites (text and exemplars) -- lead to an improvement in counting accuracy. We make three contributions: First, we introduce the first open-world counting model, CountGD, where the prompt can be specified by a text description or visual exemplars or both; Second, we show that the performance of the model significantly improves the state of the art on multiple counting benchmarks -- when using text only, CountGD outperforms all previous text-only works, and when using both text and visual exemplars, we outperform all previous models; Third, we carry out a preliminary study into different interactions between the text and visual exemplar prompts, including the cases where they reinforce each other and where one restricts the other. The code and an app to test the model are available at https://www.robots.ox.ac.uk/vgg/research/countgd/.
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In order to thrive in hostile and ever-changing natural environments, mammalian brains evolved to store large amounts of knowledge about the world and continually integrate new information while avoiding catastrophic forgetting. Despite the impressive accomplishments, large language models (LLMs), even with retrieval-augmented generation (RAG), still struggle to efficiently and effectively integrate a large amount of new experiences after pre-training. In this work, we introduce HippoRAG, a novel retrieval framework inspired by the hippocampal indexing theory of human long-term memory to enable deeper and more efficient knowledge integration over new experiences. HippoRAG synergistically orchestrates LLMs, knowledge graphs, and the Personalized PageRank algorithm to mimic the different roles of neocortex and hippocampus in human memory. We compare HippoRAG with existing RAG methods on multi-hop question answering (QA) and show that our method outperforms the state-of-the-art methods remarkably, by up to 20%. Single-step retrieval with HippoRAG achieves comparable or better performance than iterative retrieval like IRCoT while being 10-20 times cheaper and 6-13 times faster, and integrating HippoRAG into IRCoT brings further substantial gains. Finally, we show that our method can tackle new types of scenarios that are out of reach of existing methods.
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Deep Neural Collapse (DNC) refers to the surprisingly rigid structure of the data representations in the final layers of Deep Neural Networks (DNNs). Though the phenomenon has been measured in a variety of settings, its emergence is typically explained via data-agnostic approaches, such as the unconstrained features model. In this work, we introduce a data-dependent setting where DNC forms due to feature learning through the average gradient outer product (AGOP). The AGOP is defined with respect to a learned predictor and is equal to the uncentered covariance matrix of its input-output gradients averaged over the training dataset. Deep Recursive Feature Machines are a method that constructs a neural network by iteratively mapping the data with the AGOP and applying an untrained random feature map. We demonstrate theoretically and empirically that DNC occurs in Deep Recursive Feature Machines as a consequence of the projection with the AGOP matrix computed at each layer. We then provide evidence that this mechanism holds for neural networks more generally. We show that the right singular vectors and values of the weights can be responsible for the majority of within-class variability collapse for DNNs trained in the feature learning regime. As observed in recent work, this singular structure is highly correlated with that of the AGOP.
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Dataflow analysis is a fundamental code analysis technique that identifies dependencies between program values. Traditional approaches typically necessitate successful compilation and expert customization, hindering their applicability and usability for analyzing uncompilable programs with evolving analysis needs in real-world scenarios. This paper presents LLMDFA, an LLM-powered compilation-free and customizable dataflow analysis framework. To address hallucinations for reliable results, we decompose the problem into several subtasks and introduce a series of novel strategies. Specifically, we leverage LLMs to synthesize code that outsources delicate reasoning to external expert tools, such as using a parsing library to extract program values of interest and invoking an automated theorem prover to validate path feasibility. Additionally, we adopt a few-shot chain-of-thought prompting to summarize dataflow facts in individual functions, aligning the LLMs with the program semantics of small code snippets to mitigate hallucinations. We evaluate LLMDFA on synthetic programs to detect three representative types of bugs and on real-world Android applications for customized bug detection. On average, LLMDFA achieves 87.10% precision and 80.77% recall, surpassing existing techniques with F1 score improvements of up to 0.35. We have open-sourced LLMDFA at https://github.com/chengpeng-wang/LLMDFA.
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Evaluating policies using off-policy data is crucial for applying reinforcement learning to real-world problems such as healthcare and autonomous driving. Previous methods for *off-policy evaluation* (OPE) generally suffer from high variance or irreducible bias, leading to unacceptably high prediction errors. In this work, we introduce STAR, a framework for OPE that encompasses a broad range of estimators -- which include existing OPE methods as special cases -- that achieve lower mean squared prediction errors. STAR leverages state abstraction to distill complex, potentially continuous problems into compact, discrete models which we call *abstract reward processes* (ARPs). Predictions from ARPs estimated from off-policy data are provably consistent (asymptotically correct). Rather than proposing a specific estimator, we present a new framework for OPE and empirically demonstrate that estimators within STAR outperform existing methods. The best STAR estimator outperforms baselines in all twelve cases studied, and even the median STAR estimator surpasses the baselines in seven out of the twelve cases.
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We prove that single-parameter natural exponential families with subexponential tails are self-concordant with polynomial-sized parameters. For subgaussian natural exponential families we establish an exact characterization of the growth rate of the self-concordance parameter. Applying these findings to bandits allows us to fill gaps in the literature: We show that optimistic algorithms for generalized linear bandits enjoy regret bounds that are both second-order (scale with the variance of the optimal arm's reward distribution) and free of an exponential dependence on the bound of the problem parameter in the leading term. To the best of our knowledge, ours is the first regret bound for generalized linear bandits with subexponential tails, broadening the class of problems to include Poisson, exponential and gamma bandits.
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We introduce Annealed Multiple Choice Learning (aMCL) which combines simulated annealing with MCL. MCL is a learning framework handling ambiguous tasks by predicting a small set of plausible hypotheses. These hypotheses are trained using the Winner-takes-all (WTA) scheme, which promotes the diversity of the predictions. However, this scheme may converge toward an arbitrarily suboptimal local minimum, due to the greedy nature of WTA. We overcome this limitation using annealing, which enhances the exploration of the hypothesis space during training. We leverage insights from statistical physics and information theory to provide a detailed description of the model training trajectory. Additionally, we validate our algorithm by extensive experiments on synthetic datasets, on the standard UCI benchmark, and on speech separation.
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Recent works in Variational Inference have examined alternative criteria to the commonly used exclusive Kullback-Leibler divergence. Encouraging empirical results have been obtained with the family of alpha-divergences, but few works have focused on the asymptotic properties of the proposed algorithms, especially as the number of iterations goes to infinity. In this paper, we study a procedure that ensures a monotonic decrease in the alpha-divergence. We provide sufficient conditions to guarantee its convergence to a local minimizer of the alpha-divergence at a geometric rate when the variational family belongs to the class of exponential models. The sample-based version of this ideal procedure involves biased gradient estimators, thus hindering any theoretical study. We propose an alternative unbiased algorithm, we prove its almost sure convergence to a local minimizer of the alpha-divergence, and a law of the iterated logarithm. Our results are exemplified with toy and real-data experiments.
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We introduce a generative model for protein backbone design utilizing geometric products and higher order message passing. In particular, we propose Clifford Frame Attention (CFA), an extension of the invariant point attention (IPA) architecture from AlphaFold2, in which the backbone residue frames and geometric features are represented in the projective geometric algebra. This enables to construct geometrically expressive messages between residues, including higher order terms, using the bilinear operations of the algebra. We evaluate our architecture by incorporating it into the framework of FrameFlow, a state-of-the-art flow matching model for protein backbone generation. The proposed model achieves high designability, diversity and novelty, while also sampling protein backbones that follow the statistical distribution of secondary structure elements found in naturally occurring proteins, a property so far only insufficiently achieved by many state-of-the-art generative models.
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The immense parameter scale of large language models underscores the necessity for parameter-efficient fine-tuning methods. Methods based on Low-Rank Adaptation (LoRA) assume the low-rank characteristics of the incremental matrix and optimize the matrix obtained from low-rank decomposition. Although effective, these methods are constrained by a fixed and unalterable intrinsic rank, neglecting the variable importance of matrices. Consequently, methods for adaptive rank allocation are proposed, among which AdaLoRA demonstrates excellent fine-tuning performance. AdaLoRA conducts adaptation based on singular value decomposition (SVD), dynamically allocating intrinsic ranks according to importance. However, it still struggles to achieve a balance between fine-tuning effectiveness and efficiency, leading to limited rank allocation space. Additionally, the importance measurement focuses only on parameters with minimal impact on the loss, neglecting the dominant role of singular values in SVD-based matrices and the fluctuations during training. To address these issues, we propose SalientLoRA, which adaptively optimizes intrinsic ranks of LoRA via salience measurement. Firstly, during rank allocation, the salience measurement analyses the variation of singular value magnitudes across multiple time steps and establishes their inter-dependency relationships to assess the matrix importance. This measurement mitigates instability and randomness that may arise during importance assessment. Secondly, to achieve a balance between fine-tuning performance and efficiency, we propose an adaptive adjustment of time-series window, which adaptively controls the size of time-series for significance measurement and rank reduction during training, allowing for rapid rank allocation while maintaining training stability. This mechanism enables matrics to set a higher initial rank, thus expanding the allocation space for ranks. To evaluate the generality of our method across various tasks, we conduct experiments on natural language understanding (NLU), natural language generation (NLG), and large model instruction tuning tasks. Experimental results demonstrate the superiority of SalientLoRA, which outperforms state-of-the-art methods by 0.96\%-3.56\% on multiple datasets. Furthermore, as the rank allocation space expands, our method ensures fine-tuning efficiency, achieving a speed improvement of 94.5\% compared to AdaLoRA. The code is publicly available at https://github.com/Heyest/SalientLoRA.
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The attention mechanism within the transformer architecture enables the model to weigh and combine tokens based on their relevance to the query. While self-attention has enjoyed major success, it notably treats all queries $q$ in the same way by applying the mapping $V^\top\text{softmax}(Kq)$, where $V,K$ are the value and key embeddings respectively. In this work, we argue that this uniform treatment hinders the ability to control contextual sparsity and relevance. As a solution, we introduce the Selective Self-Attention (SSA) layer that augments the softmax nonlinearity with a principled temperature scaling strategy. By controlling temperature, SSA adapts the contextual sparsity of the attention map to the query embedding and its position in the context window. Through theory and experiments, we demonstrate that this alleviates attention dilution, aids the optimization process, and enhances the model's ability to control softmax spikiness of individual queries. We also incorporate temperature scaling for value embeddings and show that it boosts the model's ability to suppress irrelevant/noisy tokens. Notably, SSA is a lightweight method which introduces less than 0.5\% new parameters through a weight-sharing strategy and can be fine-tuned on existing LLMs. Extensive empirical evaluations demonstrate that SSA-equipped models achieve a noticeable and consistent accuracy improvement on language modeling benchmarks.
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Relative entropy coding (REC) algorithms encode a random sample following a target distribution $Q$, using a coding distribution $P$ shared between the sender and receiver. Sadly, general REC algorithms suffer from prohibitive encoding times, at least on the order of $2^{D_{\text{KL}}[Q||P]}$, and faster algorithms are limited to very specific settings. This work addresses this issue by introducing a REC scheme utilizing space partitioning to reduce runtime in practical scenarios. We provide theoretical analyses of our method and demonstrate its effectiveness with both toy examples and practical applications. Notably, our method successfully handles REC tasks with $D_{\text{KL}}[Q||P]$ about three times greater than what previous methods can manage, and reduces the bitrate by approximately 5-15\% in VAE-based lossless compression on MNIST and INR-based lossy compression on CIFAR-10, compared to previous methods, significantly improving the practicality of REC for neural compression.
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We present Diffusion-KTO, a novel approach for aligning text-to-image diffusion models by formulating the alignment objective as the maximization of expected human utility. Unlike previous methods, Diffusion-KTO does not require collecting pairwise preference data nor training a complex reward model. Instead, our objective uses per-image binary feedback signals, e.g. likes or dislikes, to align the model with human preferences. After fine-tuning using Diffusion-KTO, text-to-image diffusion models exhibit improved performance compared to existing techniques, including supervised fine-tuning and Diffusion-DPO, both in terms of human judgment and automatic evaluation metrics such as PickScore and ImageReward. Overall, Diffusion-KTO unlocks the potential of leveraging readily available per-image binary preference signals and broadens the applicability of aligning text-to-image diffusion models with human preferences.
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Learning the intents of an agent, defined by its goals or motion style, is often extremely challenging from just a few examples. We refer to this problem as task concept learning and present our approach, Few-Shot Task Learning through Inverse Generative Modeling (FTL-IGM), which learns new task concepts by leveraging invertible neural generative models. The core idea is to pretrain a generative model on a set of basic concepts and their demonstrations. Then, given a few demonstrations of a new concept (such as a new goal or a new action), our method learns the underlying concepts through backpropagation without updating the model weights, thanks to the invertibility of the generative model. We evaluate our method in five domains -- object rearrangement, goal-oriented navigation, motion caption of human actions, autonomous driving, and real-world table-top manipulation. Our experimental results demonstrate that via the pretrained generative model, we successfully learn novel concepts and generate agent plans or motion corresponding to these concepts in (1) unseen environments and (2) in composition with training concepts.
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Large language models (LLMs) trained on web-scale datasets raise substantial concerns regarding permissible data usage. One major question is whether these models "memorize" all their training data or they integrate many data sources in some way more akin to how a human would learn and synthesize information. The answer hinges, to a large degree, on \emph{how we define memorization.} In this work, we propose the Adversarial Compression Ratio (ACR) as a metric for assessing memorization in LLMs. A given string from the training data is considered memorized if it can be elicited by a prompt (much) shorter than the string itself---in other words, if these strings can be ``compressed'' with the model by computing adversarial prompts of fewer tokens. The ACR overcomes the limitations of existing notions of memorization by (i) offering an adversarial view of measuring memorization, especially for monitoring unlearning and compliance; and (ii) allowing for the flexibility to measure memorization for arbitrary strings at a reasonably low compute. Our definition serves as a practical tool for determining when model owners may be violating terms around data usage, providing a potential legal tool and a critical lens through which to address such scenarios.
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The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.
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We study the matrix denoising problem of estimating the singular vectors of a rank-$1$ signal corrupted by noise with both column and row correlations. Existing works are either unable to pinpoint the exact asymptotic estimation error or, when they do so, the resulting approaches (e.g., based on whitening or singular value shrinkage) remain vastly suboptimal. On top of this, most of the literature has focused on the special case of estimating the left singular vector of the signal when the noise only possesses row correlation (one-sided heteroscedasticity). In contrast, our work establishes the information-theoretic and algorithmic limits of matrix denoising with doubly heteroscedastic noise. We characterize the exact asymptotic minimum mean square error, and design a novel spectral estimator with rigorous optimality guarantees: under a technical condition, it attains positive correlation with the signals whenever information-theoretically possible and, for one-sided heteroscedasticity, it also achieves the Bayes-optimal error. Numerical experiments demonstrate the significant advantage of our theoretically principled method with the state of the art. The proofs draw connections with statistical physics and approximate message passing, departing drastically from standard random matrix theory techniques.
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Recent years have witnessed a clear trend towards language models with an ever-increasing number of parameters, as well as the growing training overhead and memory usage. Distributed training, particularly through Sharded Data Parallelism (ShardedDP) which partitions optimizer states among workers, has emerged as a crucial technique to mitigate training time and memory usage. Yet, a major challenge in the scalability of ShardedDP is the intensive communication of weights and gradients. While compression techniques can alleviate this issue, they often result in worse accuracy. Driven by this limitation, we propose SDP4Bit (Toward 4Bit Communication Quantization in Sharded Data Parallelism for LLM Training), which effectively reduces the communication of weights and gradients to nearly 4 bits via two novel techniques: quantization on weight differences, and two-level gradient smooth quantization. Furthermore, SDP4Bit presents an algorithm-system co-design with runtime optimization to minimize the computation overhead of compression. Additional to the theoretical guarantees of convergence, we empirically evaluate the accuracy of SDP4Bit on the pre-training of GPT models with up to 6.7 billion parameters, and the results demonstrate a negligible impact on training loss. Furthermore, speed experiments show that SDP4Bit achieves up to 4.08× speedup in end-to-end throughput on a scale of 128 GPUs.
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One way to address safety risks from large language models (LLMs) is to censor dangerous knowledge from their training data. While this removes the explicit information, implicit information can remain scattered across various training documents. Could an LLM infer the censored knowledge by piecing together these implicit hints? As a step towards answering this question, we study inductive out-of-context reasoning (OOCR), a type of generalization in which LLMs infer latent information from evidence distributed across training documents and apply it to downstream tasks without in-context learning. Using a suite of five tasks, we demonstrate that frontier LLMs can perform inductive OOCR. In one experiment we finetune an LLM on a corpus consisting only of distances between an unknown city and other known cities. Remarkably, without in-context examples or Chain of Thought, the LLM can verbalize that the unknown city is Paris and use this fact to answer downstream questions. Further experiments show that LLMs trained only on individual coin flip outcomes can verbalize whether the coin is biased, and those trained only on pairs $(x,f(x))$ can articulate a definition of $f$ and compute inverses. While OOCR succeeds in a range of cases, we also show that it is unreliable, particularly for smaller LLMs learning complex structures. Overall, the ability of LLMs to "connect the dots" without explicit in-context learning poses a potential obstacle to monitoring and controlling the knowledge acquired by LLMs.
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3D generation guided by text-to-image diffusion models enables the creation of visually compelling assets. However previous methods explore generation based on image or text. The boundaries of creativity are limited by what can be expressed through words or the images that can be sourced. We present YouDream, a method to generate high-quality anatomically controllable animals. YouDream is guided using a text-to-image diffusion model controlled by 2D views of a 3D pose prior. Our method is capable of generating novel imaginary animals that previous text-to-3D generative methods are unable to create. Additionally, our method can preserve anatomic consistency in the generated animals, an area where prior approaches often struggle. Moreover, we design a fully automated pipeline for generating commonly observed animals. To circumvent the need for human intervention to create a 3D pose, we propose a multi-agent LLM that adapts poses from a limited library of animal 3D poses to represent the desired animal. A user study conducted on the outcomes of YouDream demonstrates the preference of the animal models generated by our method over others. Visualizations and code are available at https://youdream3d.github.io/.
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The superior performance of large foundation models can be attributed to the use of massive amounts of high-quality data. However, such datasets often contain sensitive, private and copyrighted material that requires formal protection. While differential privacy (DP) is a prominent method used to gauge the degree of security provided to large foundation models, its application in large foundation models has been met with limited success because there are often significant performance compromises when applying DP during the pre-training phase. Consequently, DP is more commonly implemented during the model fine-tuning stage, hence not capable of protecting a substantial portion of the data used during the initial pre-training process. In this work, we first provide a theoretical understanding of the efficacy of DP training by analyzing the per-iteration improvement of loss through the lens of the Hessian. We observe that DP optimizers' deceleration can be significantly mitigated by the use of limited public data, and thus propose the DP continual pre-training strategy. Our DP continual pre-training on vision models, using only 10% of public data, have achieved DP accuracy of 41.5% on ImageNet-21k (with epsilon=8) and non-DP accuracy of 55.7% on Places365 and 60.0% on iNaturalist-2021, which are on par with state-of-the-art standard pre-training and outperform existing DP pertained models. Our DP pre-trained models are released in *fastDP* library (https://github.com/awslabs/fast-differential-privacy/releases/tag/v2.1)
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In this work, we investigate a method for simulation-free training of Neural Ordinary Differential Equations (NODEs) for learning deterministic mappings between paired data. Despite the analogy of NODEs as continuous-depth residual networks, their application in typical supervised learning tasks has not been popular, mainly due to the large number of function evaluations required by ODE solvers and numerical instability in gradient estimation. To alleviate this problem, we employ the flow matching framework for simulation-free training of NODEs, which directly regresses the parameterized dynamics function to a predefined target velocity field. Contrary to generative tasks, however, we show that applying flow matching directly between paired data can often lead to an ill-defined flow that breaks the coupling of the data pairs (e.g., due to crossing trajectories). We propose a simple extension that applies flow matching in the embedding space of data pairs, where the embeddings are learned jointly with the dynamic function to ensure the validity of the flow which is also easier to learn. We demonstrate the effectiveness of our method on both regression and classification tasks, where our method outperforms existing NODEs with a significantly lower number of function evaluations. The code is available at https://github.com/seminkim/simulation-free-node.
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Controllable text-to-image (T2I) diffusion models have shown impressive performance in generating high-quality visual content through the incorporation of various conditions. Current methods, however, exhibit limited performance when guided by skeleton human poses, especially in complex pose conditions such as side or rear perspectives of human figures. To address this issue, we present Stable-Pose, a novel adapter model that introduces a coarse-to-fine attention masking strategy into a vision Transformer (ViT) to gain accurate pose guidance for T2I models. Stable-Pose is designed to adeptly handle pose conditions within pre-trained Stable Diffusion, providing a refined and efficient way of aligning pose representation during image synthesis. We leverage the query-key self-attention mechanism of ViTs to explore the interconnections among different anatomical parts in human pose skeletons. Masked pose images are used to smoothly refine the attention maps based on target pose-related features in a hierarchical manner, transitioning from coarse to fine levels. Additionally, our loss function is formulated to allocate increased emphasis to the pose region, thereby augmenting the model's precision in capturing intricate pose details. We assessed the performance of Stable-Pose across five public datasets under a wide range of indoor and outdoor human pose scenarios. Stable-Pose achieved an AP score of 57.1 in the LAION-Human dataset, marking around 13\% improvement over the established technique ControlNet. The project link and code is available at https://github.com/ai-med/StablePose.
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As industrial models and designs grow increasingly complex, the demand for optimal control of large-scale dynamical systems has significantly increased. However, traditional methods for optimal control incur significant overhead as problem dimensions grow. In this paper, we introduce an end-to-end quantum algorithm for linear-quadratic control with provable speedups. Our algorithm, based on a policy gradient method, incorporates a novel quantum subroutine for solving the matrix Lyapunov equation. Specifically, we build a *quantum-assisted differentiable simulator* for efficient gradient estimation that is more accurate and robust than classical methods relying on stochastic approximation. Compared to the classical approaches, our method achieves a *super-quadratic* speedup. To the best of our knowledge, this is the first end-to-end quantum application to linear control problems with provable quantum advantage.
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Generalizing across robot embodiments and tasks is crucial for adaptive robotic systems. Modular policy learning approaches adapt to new embodiments but are limited to specific tasks, while few-shot imitation learning (IL) approaches often focus on a single embodiment. In this paper, we introduce a few-shot behavior cloning framework to simultaneously generalize to unseen embodiments and tasks using a few (e.g., five) reward-free demonstrations. Our framework leverages a joint-level input-output representation to unify the state and action spaces of heterogeneous embodiments and employs a novel structure-motion state encoder that is parameterized to capture both shared knowledge across all embodiments and embodiment-specific knowledge. A matching-based policy network then predicts actions from a few demonstrations, producing an adaptive policy that is robust to over-fitting. Evaluated in the DeepMind Control suite, our framework termed Meta-Controller demonstrates superior few-shot generalization to unseen embodiments and tasks over modular policy learning and few-shot IL approaches.
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Large Transformer networks are increasingly used in settings where low inference latency is necessary to enable new applications and improve the end-user experience. However, autoregressive inference is resource intensive and requires parallelism for efficiency. Parallelism introduces collective communication that is both expensive and represents a phase when hardware resources are underutilized. Towards mitigating this, Kraken is an evolution of the standard Transformer architecture that is designed to complement existing tensor parallelism schemes for efficient inference on multi-device systems. By introducing a fixed degree of intra-layer model parallelism, the architecture allows collective operations to be overlapped with compute, decreasing latency and increasing hardware utilization. When trained on OpenWebText, Kraken models reach a similar perplexity as standard Transformers while also preserving their language modeling capabilities as evaluated on the SuperGLUE benchmark. Importantly, when tested on multi-GPU systems using TensorRT-LLM engines, Kraken speeds up Time To First Token by a mean of 35.6% across a range of model sizes, context lengths, and degrees of tensor parallelism.
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In enhancing the reasoning capabilities of large language models (LLMs), prior research primarily focuses on specific prompting techniques such as few-shot or zero-shot chain-of-thought (CoT) prompting. These methods, while effective, often involve manually intensive prompt engineering. Our study takes a novel approach by asking: Can LLMs reason effectively without any prompting? Our findings reveal that, intriguingly, CoT reasoning paths can be elicited from pre-trained LLMs by simply altering the \textit{decoding} process. Rather than conventional greedy decoding, we investigate the top-$k$ alternative tokens, uncovering that CoT paths are frequently inherent in these sequences. This approach not only bypasses the confounders of prompting but also allows us to assess the LLMs' \textit{intrinsic} reasoning abilities. Moreover, we observe that the presence of a CoT in the decoding path correlates with a higher confidence in the model's decoded answer. This confidence metric effectively differentiates between CoT and non-CoT paths. Extensive empirical studies on various reasoning benchmarks show that the proposed CoT-decoding effectively elicits reasoning capabilities from language models, which were previously obscured by standard greedy decoding.
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Adversarial examples have raised several open questions, such as why they can deceive classifiers and transfer between different models. A prevailing hypothesis to explain these phenomena suggests that adversarial perturbations appear as random noise but contain class-specific features. This hypothesis is supported by the success of perturbation learning, where classifiers trained solely on adversarial examples and the corresponding incorrect labels generalize well to correctly labeled test data. Although this hypothesis and perturbation learning are effective in explaining intriguing properties of adversarial examples, their solid theoretical foundation is limited. In this study, we theoretically explain the counterintuitive success of perturbation learning. We assume wide two-layer networks and the results hold for any data distribution. We prove that adversarial perturbations contain sufficient class-specific features for networks to generalize from them. Moreover, the predictions of classifiers trained on mislabeled adversarial examples coincide with those of classifiers trained on correctly labeled clean samples. The code is available at https://github.com/s-kumano/perturbation-learning.
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The optimal policy in various real-world strategic decision-making problems depends both on the environmental configuration and exogenous events. For these settings, we introduce Contextual Bilevel Reinforcement Learning (CB-RL), a stochastic bilevel decision-making model, where the lower level consists of solving a contextual Markov Decision Process (CMDP). CB-RL can be viewed as a Stackelberg Game where the leader and a random context beyond the leader’s control together decide the setup of many MDPs that potentially multiple followers best respond to. This framework extends beyond traditional bilevel optimization and finds relevance in diverse fields such as RLHF, tax design, reward shaping, contract theory and mechanism design. We propose a stochastic Hyper Policy Gradient Descent (HPGD) algorithm to solve CB-RL, and demonstrate its convergence. Notably, HPGD uses stochastic hypergradient estimates, based on observations of the followers’ trajectories. Therefore, it allows followers to use any training procedure and the leader to be agnostic of the specific algorithm, which aligns with various real-world scenarios. We further consider the setting when the leader can influence the training of followers and propose an accelerated algorithm. We empirically demonstrate the performance of our algorithm for reward shaping and tax design.
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This paper studies replicability in machine learning tasks from a geometric viewpoint. Recent works have revealed the role of geometric partitions and Sperner's lemma (and its variations) in designing replicable learning algorithms and in establishing impossibility results. A partition $\mathcal{P}$ of $\mathbb{R}^d$ is called a $(k,\epsilon)$-secluded partition if for every $\vec{p}\in\mathbb{R}^d$, an $\varepsilon$-radius ball (with respect to the $\ell_{\infty}$ norm) centered at $\vec{p}$ intersects at most $k$ members of $\mathcal{P}$. In relation to replicable learning, the parameter $k$ is closely related to the $\textit{list complexity}$, and the parameter $\varepsilon$ is related to the sample complexity of the replicable learner. Construction of secluded partitions with better parameters (small $k$ and large $\varepsilon$) will lead to replicable learning algorithms with small list and sample complexities. Motivated by this connection, we undertake a comprehensive study of secluded partitions and establish near-optimal relationships between $k$ and $\varepsilon$. 1. We show that for any $(k,\epsilon)$-secluded partition where each member has at most unit measure, it must be that $k \geq(1+2\varepsilon)^d$, and consequently, for the interesting regime $k\in[2^d]$ it must be that $\epsilon\leq\frac{\log_4(k)}{d}$. 2. To complement this upper bound on $\epsilon$, we show that for each $d\in\mathbb{N}$ and each viable $k\in[2^d]$, a construction of a $(k,\epsilon)$-secluded (unit cube) partition with $\epsilon\geq\frac{\log_4(k)}{d}\cdot\frac{1}{8\log_4(d+1)}$. This establishes the optimality of $\epsilon$ within a logarithmic factor. 3. Finally, we adapt our proof techniques to obtain a new ``neighborhood'' variant of the cubical KKM lemma (or cubical Sperner's lemma): For any coloring of $[0,1]^d$ in which no color is used on opposing faces, it holds for each $\epsilon\in(0,\frac12]$ that there is a point where the open $\epsilon$-radius $\ell_\infty$-ball intersects at least $(1+\frac23\epsilon)^d$ colors. While the classical Sperner/KKM lemma guarantees the existence of a point that is "adjacent" to points with $(d+1)$ distinct colors, the neighborhood version guarantees the existence of a small neighborhood with exponentially many points with distinct colors.
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In this paper, we analyze the sample and communication complexity of the federated linear stochastic approximation (FedLSA) algorithm. We explicitly quantify the effects of local training with agent heterogeneity. We show that the communication complexity of FedLSA scales polynomially with the inverse of the desired accuracy ϵ. To overcome this, we propose SCAFFLSA a new variant of FedLSA that uses control variates to correct for client drift, and establish its sample and communication complexities. We show that for statistically heterogeneous agents, its communication complexity scales logarithmically with the desired accuracy, similar to Scaffnew. An important finding is that, compared to the existing results for Scaffnew, the sample complexity scales with the inverse of the number of agents, a property referred to as linear speed-up. Achieving this linear speed-up requires completely new theoretical arguments. We apply the proposed method to federated temporal difference learning with linear function approximation and analyze the corresponding complexity improvements.
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Conditional density estimation (CDE) goes beyond regression by modeling the full conditional distribution, providing a richer understanding of the data than just the conditional mean in regression. This makes CDE particularly useful in critical application domains. However, interpretable CDE methods are understudied. Current methods typically employ kernel-based approaches, using kernel functions directly for kernel density estimation or as basis functions in linear models. In contrast, despite their conceptual simplicity and visualization suitability, tree-based methods---which are arguably more comprehensible---have been largely overlooked for CDE tasks. Thus, we propose the Conditional Density Tree (CDTree), a fully non-parametric model consisting of a decision tree in which each leaf is formed by a histogram model. Specifically, we formalize the problem of learning a CDTree using the minimum description length (MDL) principle, which eliminates the need for tuning the hyperparameter for regularization. Next, we propose an iterative algorithm that, although greedily, searches the optimal histogram for every possible node split. Our experiments demonstrate that, in comparison to existing interpretable CDE methods, CDTrees are both more accurate (as measured by the log-loss) and more robust against irrelevant features. Further, our approach leads to smaller tree sizes than existing tree-based models, which benefits interpretability.
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What representation do deep neural networks learn? How similar are images to each other for neural networks? Despite the overwhelming success of deep learning methods key questions about their internal workings still remain largely unanswered, due to their internal high dimensionality and complexity. To address this, one approach is to measure the similarity of activation responses to various inputs. Representational Similarity Matrices (RSMs) distill this similarity into scalar values for each input pair. These matrices encapsulate the entire similarity structure of a system, indicating which input lead to similar responses. While the similarity between images is ambiguous, we argue that the spatial location of semantic objects does neither influence human perception nor deep learning classifiers. Thus this should be reflected in the definition of similarity between image responses for computer vision systems. Revisiting the established similarity calculations for RSMs we expose their sensitivity to spatial alignment. In this paper we propose to solve this through _semantic RSMs_, which are invariant to spatial permutation. We measure semantic similarity between input responses by formulating it as a set-matching problem. Further, we quantify the superiority of _semantic_ RSMs over _spatio-semantic_ RSMs through image retrieval and by comparing the similarity between representations to the similarity between predicted class probabilities.
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Embedding the nodes of a large network into an Euclidean space is a common objective in modern machine learning, with a variety of tools available. These embeddings can then be used as features for tasks such as community detection/node clustering or link prediction, where they achieve state of the art performance. With the exception of spectral clustering methods, there is little theoretical understanding for commonly used approaches to learning embeddings. In this work we examine the theoretical properties of the embeddings learned by node2vec. Our main result shows that the use of k-means clustering on the embedding vectors produced by node2vec gives weakly consistent community recovery for the nodes in (degree corrected) stochastic block models. We also discuss the use of these embeddings for node and link prediction tasks. We demonstrate this result empirically for both real and simulated networks, and examine how this relates to other embedding tools for network data.
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We study the problem of fitting the high dimensional sparse linear regression model, where the data are provided by strategic or self-interested agents (individuals) who prioritize their privacy of data disclosure. In contrast to the classical setting, our focus is on designing mechanisms that can effectively incentivize most agents to truthfully report their data while preserving the privacy of individual reports. Simultaneously, we seek an estimator which should be close to the underlying parameter. We attempt to solve the problem by deriving a novel private estimator that has a closed-form expression. Based on the estimator, we propose a mechanism which has the following properties via some appropriate design of the computation and payment scheme: (1) the mechanism is $(o(1), O(n^{-\Omega({1})}))$-jointly differentially private, where $n$ is the number of agents; (2) it is an $o(\frac{1}{n})$-approximate Bayes Nash equilibrium for a $(1-o(1))$-fraction of agents to truthfully report their data; (3) the output could achieve an error of $o(1)$ to the underlying parameter; (4) it is individually rational for a $(1-o(1))$ fraction of agents in the mechanism; (5) the payment budget required from the analyst to run the mechanism is $o(1)$. To the best of our knowledge, this is the first study on designing truthful (and privacy-preserving) mechanisms for high dimensional sparse linear regression.
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Visible-Infrared Person Re-identification (VI-ReID) is a challenging cross-modal retrieval task due to significant modality differences, primarily resulting from the absence of color information in the infrared modality. The development of large foundation models like Large Language Models (LLMs) and Vision Language Models (VLMs) motivates us to explore a feasible solution to empower VI-ReID with off-the-shelf large foundation models. To this end, we propose a novel Text-enhanced VI-ReID framework driven by Large Foundation Models (TVI-LFM). The core idea is to enrich the representation of the infrared modality with textual descriptions automatically generated by VLMs. Specifically, we incorporate a pre-trained VLM to extract textual features from texts generated by VLM and augmented by LLM, and incrementally fine-tune the text encoder to minimize the domain gap between generated texts and original visual modalities. Meanwhile, to enhance the infrared modality with extracted textual representations, we leverage modality alignment capabilities of VLMs and VLM-generated feature-level filters. This enables the text model to learn complementary features from the infrared modality, ensuring the semantic structural consistency between the fusion modality and the visible modality. Furthermore, we introduce modality joint learning to align features across all modalities, ensuring that textual features maintain stable semantic representation of overall pedestrian appearance during complementary information learning. Additionally, a modality ensemble retrieval strategy is proposed to leverage complementary strengths of each query modality to improve retrieval effectiveness and robustness. Extensive experiments on three expanded VI-ReID datasets demonstrate that our method significantly improves the retrieval performance, paving the way for the utilization of large foundation models in downstream multi-modal retrieval tasks.
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This paper addresses the long-standing challenge of reconstructing 3D structures from videos with dynamic content. Current approaches to this problem were not designed to operate on casual videos recorded by standard cameras or require a long optimization time. Aiming to significantly improve the efficiency of previous approaches, we present TracksTo4D, a learning-based approach that enables inferring 3D structure and camera positions from dynamic content originating from casual videos using a single efficient feed-forward pass. To achieve this, we propose operating directly over 2D point tracks as input and designing an architecture tailored for processing 2D point tracks. Our proposed architecture is designed with two key principles in mind: (1) it takes into account the inherent symmetries present in the input point tracks data, and (2) it assumes that the movement patterns can be effectively represented using a low-rank approximation. TracksTo4D is trained in an unsupervised way on a dataset of casual videos utilizing only the 2D point tracks extracted from the videos, without any 3D supervision. Our experiments show that TracksTo4D can reconstruct a temporal point cloud and camera positions of the underlying video with accuracy comparable to state-of-the-art methods, while drastically reducing runtime by up to 95\%. We further show that TracksTo4D generalizes well to unseen videos of unseen semantic categories at inference time.
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Continual learning (CL) with Vision-Language Models (VLMs) has overcome the constraints of traditional CL, which only focuses on previously encountered classes. During the CL of VLMs, we need not only to prevent the catastrophic forgetting on incrementally learned knowledge but also to preserve the zero-shot ability of VLMs. However, existing methods require additional reference datasets to maintain such zero-shot ability and rely on domain-identity hints to classify images across different domains. In this study, we propose Regression-based Analytic Incremental Learning (RAIL), which utilizes a recursive ridge regression-based adapter to learn from a sequence of domains in a non-forgetting manner and decouple the cross-domain correlations by projecting features to a higher-dimensional space. Cooperating with a training-free fusion module, RAIL absolutely preserves the VLM's zero-shot ability on unseen domains without any reference data. Additionally, we introduce Cross-domain Task-Agnostic Incremental Learning (X-TAIL) setting. In this setting, a CL learner is required to incrementally learn from multiple domains and classify test images from both seen and unseen domains without any domain-identity hint. We theoretically prove RAIL's absolute memorization on incrementally learned domains. Experiment results affirm RAIL's state-of-the-art performance in both X-TAIL and existing Multi-domain Task-Incremental Learning settings. The code is released at https://github.com/linghan1997/Regression-based-Analytic-Incremental-Learning.
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Human Mesh Recovery (HMR) is the task of estimating a parameterized 3D human mesh from an image. There is a kind of methods first training a regression model for this problem, then further optimizing the pretrained regression model for any specific sample individually at test time. However, the pretrained model may not provide an ideal optimization starting point for the test-time optimization. Inspired by meta-learning, we incorporate the test-time optimization into training, performing a step of test-time optimization for each sample in the training batch before really conducting the training optimization over all the training samples. In this way, we obtain a meta-model, the meta-parameter of which is friendly to the test-time optimization. At test time, after several test-time optimization steps starting from the meta-parameter, we obtain much higher HMR accuracy than the test-time optimization starting from the simply pretrained regression model. Furthermore, we find test-time HMR objectives are different from training-time objectives, which reduces the effectiveness of the learning of the meta-model. To solve this problem, we propose a dual-network architecture that unifies the training-time and test-time objectives. Our method, armed with meta-learning and the dual networks, outperforms state-of-the-art regression-based and optimization-based HMR approaches, as validated by the extensive experiments. The codes are available at https://github.com/fmx789/Meta-HMR.
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Many reinforcement learning (RL) algorithms are too costly to use in practice due to the large sizes $S,A$ of the problem's state and action space. To resolve this issue, we study transfer RL with latent low rank structure. We consider the problem of transferring a latent low rank representation when the source and target MDPs have transition kernels with Tucker rank $(S, d, A)$, $(S ,S , d), (d, S , A )$, or $(d , d , d )$. In each setting, we introduce the transfer-ability coefficient $\alpha$ that measures the difficulty of representational transfer. Our algorithm learns latent representations in each source MDP and then exploits the linear structure to remove the dependence on $S , A $, or $SA $ in the target MDP regret bound. We complement our positive results with information theoretic lower bounds that show our algorithms (excluding the ($d, d, d$) setting) are minimax-optimal with respect to $\alpha$.
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We address the challenges of Byzantine-robust training in asynchronous distributed machine learning systems, aiming to enhance efficiency amid massive parallelization and heterogeneous compute resources. Asynchronous systems, marked by independently operating workers and intermittent updates, uniquely struggle with maintaining integrity against Byzantine failures, which encompass malicious or erroneous actions that disrupt learning. The inherent delays in such settings not only introduce additional bias to the system but also obscure the disruptions caused by Byzantine faults. To tackle these issues, we adapt the Byzantine framework to asynchronous dynamics by introducing a novel weighted robust aggregation framework. This allows for the extension of robust aggregators and a recent meta-aggregator to their weighted versions, mitigating the effects of delayed updates. By further incorporating a recent variance-reduction technique, we achieve an optimal convergence rate for the first time in an asynchronous Byzantine environment. Our methodology is rigorously validated through empirical and theoretical analysis, demonstrating its effectiveness in enhancing fault tolerance and optimizing performance in asynchronous ML systems.
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Fine-grained visual classification (FGVC) involves classifying closely related subcategories. This task is inherently difficult due to the subtle differences between classes and the high intra-class variance. Moreover, FGVC datasets are typically small and challenging to gather, thus highlighting a significant need for effective data augmentation. Recent advancements in text-to-image diffusion models have introduced new possibilities for data augmentation in image classification. While these models have been used to generate training data for classification tasks, their effectiveness in full-dataset training of FGVC models remains under-explored. Recent techniques that rely on text-to-image generation or Img2Img methods, such as SDEdit, often struggle to generate images that accurately represent the class while modifying them to a degree that significantly increases the dataset's diversity. To address these challenges, we present SaSPA: Structure and Subject Preserving Augmentation. Contrary to recent methods, our method does not use real images as guidance, thereby increasing generation flexibility and promoting greater diversity. To ensure accurate class representation, we employ conditioning mechanisms, specifically by conditioning on image edges and subject representation. We conduct extensive experiments and benchmark SaSPA against both traditional and generative data augmentation techniques. SaSPA consistently outperforms all established baselines across multiple settings, including full dataset training and contextual bias. Additionally, our results reveal interesting patterns in using synthetic data for FGVC models; for instance, we find a relationship between the amount of real data used and the optimal proportion of synthetic data.
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The paper investigates the fundamental convergence properties of Sharpness-Aware Minimization (SAM), a recently proposed gradient-based optimization method (Foret et al., 2021) that significantly improves the generalization of deep neural networks. The convergence properties including the stationarity of accumulation points, the convergence of the sequence of gradients to the origin, the sequence of function values to the optimal value, and the sequence of iterates to the optimal solution are established for the method. The universality of the provided convergence analysis based on inexact gradient descent frameworks (Khanh et al., 2023b) allows its extensions to the normalized versions of SAM such as F-SAM (Li et al. 2024), VaSSO (Li & Giannakis, 2023), RSAM (Liu et al., 2022), and to the unnormalized versions of SAM such as USAM (Andriushchenko & Flammarion, 2022). Numerical experiments are conducted on classification tasks using deep learning models to confirm the practical aspects of our analysis.
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In this work, we observe that model trained on vast general images via masking strategy, has been naturally embedded with their distribution knowledge, thus spontaneously attains the underlying potential for strong image denoising. Based on this observation, we propose a novel zero-shot denoising paradigm, i.e., $\textbf{M}$asked $\textbf{P}$re-train then $\textbf{I}$terative fill ($\textbf{MPI}$). MPI first trains model via masking and then employs pre-trained weight for high-quality zero-shot image denoising on a single noisy image. Concretely, MPI comprises two key procedures: $\textbf{1) Masked Pre-training}$ involves training model to reconstruct massive natural images with random masking for generalizable representations, gathering the potential for valid zero-shot denoising on images with varying noise degradation and even in distinct image types. $\textbf{2) Iterative filling}$ exploits pre-trained knowledge for effective zero-shot denoising. It iteratively optimizes the image by leveraging pre-trained weights, focusing on alternate reconstruction of different image parts, and gradually assembles fully denoised image within limited number of iterations. Comprehensive experiments across various noisy scenarios underscore the notable advances of MPI over previous approaches with a marked reduction in inference time.
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Large Multi-modal Models (LMMs) have recently demonstrated remarkable abilities in visual context understanding and coherent response generation. However, alongside these advancements, the issue of hallucinations has emerged as a significant challenge, producing erroneous responses that are unrelated to the visual contents. In this paper, we introduce a novel contrastive-based decoding method, COuntering DEscription Contrastive Decoding (CODE), which leverages self-generated descriptions as contrasting references during the decoding phase of LMMs to address hallucination issues. CODE utilizes the comprehensive descriptions from model itself as visual counterpart to correct and improve response alignment with actual visual content. By dynamically adjusting the information flow and distribution of next-token predictions in the LMM's vocabulary, CODE enhances the coherence and informativeness of generated responses. Extensive experiments demonstrate that our method significantly reduces hallucinations and improves cross-modal consistency across various benchmarks and cutting-edge LMMs. Our method provides a simple yet effective decoding strategy that can be integrated to existing LMM frameworks without additional training.
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When making decisions under uncertainty, individuals often deviate from rational behavior, which can be evaluated across three dimensions: risk preference, probability weighting, and loss aversion. Given the widespread use of large language models (LLMs) in supporting decision-making processes, it is crucial to assess whether their behavior aligns with human norms and ethical expectations or exhibits potential biases. Although several empirical studies have investigated the rationality and social behavior performance of LLMs, their internal decision-making tendencies and capabilities remain inadequately understood. This paper proposes a framework, grounded in behavioral economics theories, to evaluate the decision-making behaviors of LLMs. With a multiple-choice-list experiment, we initially estimate the degree of risk preference, probability weighting, and loss aversion in a context-free setting for three commercial LLMs: ChatGPT-4.0-Turbo, Claude-3-Opus, and Gemini-1.0-pro. Our results reveal that LLMs generally exhibit patterns similar to humans, such as risk aversion and loss aversion, with a tendency to overweight small probabilities, but there are significant variations in the degree to which these behaviors are expressed across different LLMs. Further, we explore their behavior when embedded with socio-demographic features of human beings, uncovering significant disparities across various demographic characteristics.
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Fitness functions map large combinatorial spaces of biological sequences to properties of interest. Inferring these multimodal functions from experimental data is a central task in modern protein engineering. Global epistasis models are an effective and physically-grounded class of models for estimating fitness functions from observed data. These models assume that a sparse latent function is transformed by a monotonic nonlinearity to emit measurable fitness. Here we demonstrate that minimizing supervised contrastive loss functions, such as the Bradley-Terry loss, is a simple and flexible technique for extracting the sparse latent function implied by global epistasis. We argue by way of a fitness-epistasis uncertainty principle that the nonlinearities in global epistasis models can produce observed fitness functions that do not admit sparse representations, and thus may be inefficient to learn from observations when using a Mean Squared Error (MSE) loss (a common practice). We show that contrastive losses are able to accurately estimate a ranking function from limited data even in regimes where MSE is ineffective and validate the practical utility of this insight by demonstrating that contrastive loss functions result in consistently improved performance on empirical benchmark tasks.
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Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of $\textit{Euclidean geometry}$, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.
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Domain generalization (DG) is a fundamental yet challenging topic in machine learning. Recently, the remarkable zero-shot capabilities of the large pre-trained vision-language model (e.g., CLIP) have made it popular for various downstream tasks. However, the effectiveness of this capacity often degrades when there are shifts in data distribution during testing compared to the training data. In this paper, we propose a novel method, known as CLIPCEIL, a model that utilizes Channel rEfinement and Image-text aLignment to facilitate the CLIP to the inaccessible $\textit{out-of-distribution}$ test datasets that exhibit domain shifts. Specifically, we refine the feature channels in the visual domain to ensure they contain domain-invariant and class-relevant features by using a lightweight adapter. This is achieved by minimizing the inter-domain variance while maximizing the inter-class variance. In the meantime, we ensure the image-text alignment by aligning text embeddings of the class descriptions and their corresponding image embedding while further removing the domain-specific features. Moreover, our model integrates multi-scale CLIP features by utilizing a self-attention fusion module, technically implemented through one Transformer layer. Extensive experiments on five widely used benchmark datasets demonstrate that CLIPCEIL outperforms the existing state-of-the-art methods. The source code is available at \url{https://github.com/yuxi120407/CLIPCEIL}.
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Point Cloud Interpolation confronts challenges from point sparsity, complex spatiotemporal dynamics, and the difficulty of deriving complete 3D point clouds from sparse temporal information. This paper presents NeuroGauss4D-PCI, which excels at modeling complex non-rigid deformations across varied dynamic scenes. The method begins with an iterative Gaussian cloud soft clustering module, offering structured temporal point cloud representations. The proposed temporal radial basis function Gaussian residual utilizes Gaussian parameter interpolation over time, enabling smooth parameter transitions and capturing temporal residuals of Gaussian distributions. Additionally, a 4D Gaussian deformation field tracks the evolution of these parameters, creating continuous spatiotemporal deformation fields. A 4D neural field transforms low-dimensional spatiotemporal coordinates ($x,y,z,t$) into a high-dimensional latent space. Finally, we adaptively and efficiently fuse the latent features from neural fields and the geometric features from Gaussian deformation fields. NeuroGauss4D-PCI outperforms existing methods in point cloud frame interpolation, delivering leading performance on both object-level (DHB) and large-scale autonomous driving datasets (NL-Drive), with scalability to auto-labeling and point cloud densification tasks.
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Collaborative filtering (CF) has exhibited prominent results for recommender systems and been broadly utilized for real-world applications. A branch of research enhances CF methods by message passing (MP) used in graph neural networks, due to its strong capabilities of extracting knowledge from graph-structured data, like user-item bipartite graphs that naturally exist in CF. They assume that MP helps CF methods in a manner akin to its benefits for graph-based learning tasks in general (e.g., node classification). However, even though MP empirically improves CF, whether or not this assumption is correct still needs verification. To address this gap, we formally investigate why MP helps CF from multiple perspectives and show that many assumptions made by previous works are not entirely accurate. With our curated ablation studies and theoretical analyses, we discover that (i) MP improves the CF performance primarily by additional representations passed from neighbors during the forward pass instead of additional gradient updates to neighbor representations during the model back-propagation and (ii) MP usually helps low-degree nodes more than high-degree nodes.}Utilizing these novel findings, we present Test-time Aggregation for Collaborative Filtering, namely TAG-CF, a test-time augmentation framework that only conducts MP once at inference time. The key novelty of TAG-CF is that it effectively utilizes graph knowledge while circumventing most of notorious computational overheads of MP. Besides, TAG-CF is extremely versatile can be used as a plug-and-play module to enhance representations trained by different CF supervision signals. Evaluated on six datasets (i.e., five academic benchmarks and one real-world industrial dataset), TAG-CF consistently improves the recommendation performance of CF methods without graph by up to 39.2% on cold users and 31.7% on all users, with little to no extra computational overheads. Furthermore, compared with trending graph-enhanced CF methods, TAG-CF delivers comparable or even better performance with less than 1% of their total training times. Our code is publicly available at https://github.com/snap-research/Test-time-Aggregation-for-CF.
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Cryptographic problems, operating within binary variable spaces, can be routinely transformed into Boolean Satisfiability (SAT) problems regarding specific cryptographic conditions like plaintext-ciphertext matching. With the fast development of learning for discrete data, this SAT representation also facilitates the utilization of machine-learning approaches with the hope of automatically capturing patterns and strategies inherent in cryptographic structures in a data-driven manner. Existing neural SAT solvers consistently adopt conjunctive normal form (CNF) for instance representation, which in the cryptographic context can lead to scale explosion and a loss of high-level semantics. In particular, extensively used XOR operations in cryptographic problems can incur an exponential number of clauses. In this paper, we propose a graph structure based on Arithmetic Normal Form (ANF) to efficiently handle the XOR operation bottleneck. Additionally, we design an encoding method for AND operations in these ANF-based graphs, demonstrating improved efficiency over alternative general graph forms for SAT. We then propose CryptoANFNet, a graph learning approach that trains a classifier based on a message-passing scheme to predict plaintext-ciphertext satisfiability. Using ANF-based SAT instances, CryptoANFNet demonstrates superior scalability and can naturally capture higher-order operational information. Empirically, CryptoANFNet achieves a 50x speedup over heuristic solvers and outperforms SOTA learning-based SAT solver NeuroSAT, with 96\% vs. 91\% accuracy on small-scale and 72\% vs. 55\% on large-scale datasets from real encryption algorithms. We also introduce a key-solving algorithm that simplifies ANF-based SAT instances from plaintext and ciphertext, enhancing key decryption accuracy from 76.5\% to 82\% and from 72\% to 75\% for datasets generated from two real encryption algorithms.
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Solving nonlinear partial differential equations (PDEs) with multiple solutions is essential in various fields, including physics, biology, and engineering. However, traditional numerical methods, such as finite element and finite difference methods, often face challenges when dealing with nonlinear solvers, particularly in the presence of multiple solutions. These methods can become computationally expensive, especially when relying on solvers like Newton's method, which may struggle with ill-posedness near bifurcation points. In this paper, we propose a novel approach, the Newton Informed Neural Operator, which learns the Newton solver for nonlinear PDEs. Our method integrates traditional numerical techniques with the Newton nonlinear solver, efficiently learning the nonlinear mapping at each iteration. This approach allows us to compute multiple solutions in a single learning process while requiring fewer supervised data points than existing neural network methods.
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Scalable oversight protocols aim to enable humans to accurately supervise superhuman AI. In this paper we study debate, where two AI's compete to convince a judge; consultancy, where a single AI tries to convince a judge that asks questions; and compare to a baseline of direct question-answering, where the judge just answers outright without the AI. We use large language models (LLMs) as both AI agents and as stand-ins for human judges, taking the judge models to be weaker than agent models. We benchmark on a diverse range of asymmetries between judges and agents, extending previous work on a single extractive QA task with information asymmetry, to also include mathematics, coding, logic and multimodal reasoning asymmetries. We find that debate outperforms consultancy across all tasks when the consultant is randomly assigned to argue for the correct/incorrect answer. Comparing debate to direct question answering, the results depend on the type of task: in extractive QA tasks with information asymmetry debate outperforms direct question answering, but in other tasks without information asymmetry the results are mixed. Previous work assigned debaters/consultants an answer to argue for. When we allow them to instead choose which answer to argue for, we find judges are less frequently convinced by the wrong answer in debate than in consultancy. Further, we find that stronger debater models increase judge accuracy, though more modestly than in previous studies.
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Fenchel-Young losses are a family of convex loss functions, encompassing the squared, logistic and sparsemax losses, among others. Each Fenchel-Young loss is implicitly associated with a link function, for mapping model outputs to predictions. For instance, the logistic loss is associated with the soft argmax link function. Can we build new loss functions associated with the same link function as Fenchel-Young losses? In this paper, we introduce Fitzpatrick losses, a new family of convex loss functions based on the Fitzpatrick function. A well-known theoretical tool in maximal monotone operator theory, the Fitzpatrick function naturally leads to a refined Fenchel-Young inequality, making Fitzpatrick losses tighter than Fenchel-Young losses, while maintaining the same link function for prediction. As an example, we introduce the Fitzpatrick logistic loss and the Fitzpatrick sparsemax loss, counterparts of the logistic and the sparsemax losses. This yields two new tighter losses associated with the soft argmax and the sparse argmax, two of the most ubiquitous output layers used in machine learning. We study in details the properties of Fitzpatrick losses and in particular, we show that they can be seen as Fenchel-Young losses using a modified, target-dependent generating function. We demonstrate the effectiveness of Fitzpatrick losses for label proportion estimation.
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Mamba, a state-space model with selective mechanisms and hardware-aware architecture, has demonstrated outstanding performance in long sequence modeling tasks, particularly garnering widespread exploration and application in the field of computer vision. While existing works have mixed opinions of its application in visual tasks, the exploration of its internal workings and the optimization of its performance remain urgent and worthy research questions given its status as a novel model. Existing optimizations of the Mamba model, especially when applied in the visual domain, have primarily relied on predefined methods such as improving scanning mechanisms or integrating other architectures, often requiring strong priors and extensive trial and error. In contrast to these approaches, this paper proposes the Vision Mamba Mender, a systematic approach for understanding the workings of Mamba, identifying flaws within, and subsequently optimizing model performance. Specifically, we present methods for predictive correlation analysis of Mamba's hidden states from both internal and external perspectives, along with corresponding definitions of correlation scores, aimed at understanding the workings of Mamba in visual recognition tasks and identifying flaws therein. Additionally, tailored repair methods are proposed for identified external and internal state flaws to eliminate them and optimize model performance. Extensive experiments validate the efficacy of the proposed methods on prevalent Mamba architectures, significantly enhancing Mamba's performance.
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In this paper, we propose a novel multi-view stereo (MVS) framework that gets rid of the depth range prior. Unlike recent prior-free MVS methods that work in a pair-wise manner, our method simultaneously considers all the source images. Specifically, we introduce a Multi-view Disparity Attention (MDA) module to aggregate long-range context information within and across multi-view images. Considering the asymmetry of the epipolar disparity flow, the key to our method lies in accurately modeling multi-view geometric constraints. We integrate pose embedding to encapsulate information such as multi-view camera poses, providing implicit geometric constraints for multi-view disparity feature fusion dominated by attention. Additionally, we construct corresponding hidden states for each source image due to significant differences in the observation quality of the same pixel in the reference frame across multiple source frames. We explicitly estimate the quality of the current pixel corresponding to sampled points on the epipolar line of the source image and dynamically update hidden states through the uncertainty estimation module. Extensive results on the DTU dataset and Tanks\&Temple benchmark demonstrate the effectiveness of our method.
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The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through \emph{Chain of Preference Optimization} (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at [https://github.com/sail-sg/CPO](https://github.com/sail-sg/CPO).
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While large language models (LLMs) such as Llama-2 or GPT-4 have shown impressive zero-shot performance, fine-tuning is still necessary to enhance their performance for customized datasets, domain-specific tasks, or other private needs. However, fine-tuning all parameters of LLMs requires significant hardware resources, which can be impractical for typical users. Therefore, parameter-efficient fine-tuning such as LoRA have emerged, allowing users to fine-tune LLMs without the need for considerable computing resources, with little performance degradation compared to fine-tuning all parameters. Unfortunately, recent studies indicate that fine-tuning can increase the risk to the safety of LLMs, even when data does not contain malicious content. To address this challenge, we propose $\textsf{Safe LoRA}$, a simple one-liner patch to the original LoRA implementation by introducing the projection of LoRA weights from selected layers to the safety-aligned subspace, effectively reducing the safety risks in LLM fine-tuning while maintaining utility. It is worth noting that $\textsf{Safe LoRA}$ is a training-free and data-free approach, as it only requires the knowledge of the weights from the base and aligned LLMs. Our extensive experiments demonstrate that when fine-tuning on purely malicious data, $\textsf{Safe LoRA}$ retains similar safety performance as the original aligned model. Moreover, when the fine-tuning dataset contains a mixture of both benign and malicious data, $\textsf{Safe LoRA}$ mitigates the negative effect made by malicious data while preserving performance on downstream tasks. Our codes are available at https://github.com/IBM/SafeLoRA.
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Recently, Conditional Neural Fields (NeFs) have emerged as a powerful modelling paradigm for PDEs, by learning solutions as flows in the latent space of the Conditional NeF. Although benefiting from favourable properties of NeFs such as grid-agnosticity and space-time-continuous dynamics modelling, this approach limits the ability to impose known constraints of the PDE on the solutions -- such as symmetries or boundary conditions -- in favour of modelling flexibility. Instead, we propose a space-time continuous NeF-based solving framework that - by preserving geometric information in the latent space of the Conditional NeF - preserves known symmetries of the PDE. We show that modelling solutions as flows of pointclouds over the group of interest $G$ improves generalization and data-efficiency. Furthermore, we validate that our framework readily generalizes to unseen spatial and temporal locations, as well as geometric transformations of the initial conditions - where other NeF-based PDE forecasting methods fail -, and improve over baselines in a number of challenging geometries.
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Group Recommendation (GR), which aims to recommend items to groups of users, has become a promising and practical direction for recommendation systems. This paper points out two issues of the state-of-the-art GR models. (1) The pre-defined and fixed number of user groups is inadequate for real-time industrial recommendation systems, where the group distribution can shift dynamically. (2) The training schema of existing GR methods is supervised, necessitating expensive user-group and group-item labels, leading to significant annotation costs. To this end, we present a novel unsupervised group recommendation framework named $\underline{\text{I}}$dentify $\underline{\text{T}}$hen $\underline{\text{R}}$ecommend ($\underline{\text{ITR}}$), where it first identifies the user groups in an unsupervised manner even without the pre-defined number of groups, and then two pre-text tasks are designed to conduct self-supervised group recommendation. Concretely, at the group identification stage, we first estimate the adaptive density of each user point, where areas with higher densities are more likely to be recognized as group centers. Then, a heuristic merge-and-split strategy is designed to discover the user groups and decision boundaries. Subsequently, at the self-supervised learning stage, the pull-and-repulsion pre-text task is proposed to optimize the user-group distribution. Besides, the pseudo group recommendation pre-text task is designed to assist the recommendations. Extensive experiments demonstrate the superiority and effectiveness of ITR on both user recommendation (e.g., 22.22\% NDCG@5 $\uparrow$) and group recommendation (e.g., 22.95\% NDCG@5 $\uparrow$). Furthermore, we deploy ITR on the industrial recommender and achieve promising results.
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Scaling machine learning models significantly improves their performance. However, such gains come at the cost of inference being slow and resource-intensive. Early-exit neural networks (EENNs) offer a promising solution: they accelerate inference by allowing intermediate layers to exit and produce a prediction early. Yet a fundamental issue with EENNs is how to determine when to exit without severely degrading performance. In other words, when is it 'safe' for an EENN to go 'fast'? To address this issue, we investigate how to adapt frameworks of risk control to EENNs. Risk control offers a distribution-free, post-hoc solution that tunes the EENN's exiting mechanism so that exits only occur when the output is of sufficient quality. We empirically validate our insights on a range of vision and language tasks, demonstrating that risk control can produce substantial computational savings, all the while preserving user-specified performance goals.
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We study the framework of a dynamic decision-making scenario with resource constraints. In this framework, an agent, whose target is to maximize the total reward under the initial inventory, selects an action in each round upon observing a random request, leading to a reward and resource consumptions that are further associated with an unknown random external factor. While previous research has already established an $\widetilde{O}(\sqrt{T})$ worst-case regret for this problem, this work offers two results that go beyond the worst-case perspective: one for the worst-case gap between benchmarks and another for logarithmic regret rates. We first show that an $\Omega(\sqrt{T})$ distance between the commonly used fluid benchmark and the online optimum is unavoidable when the former has a degenerate optimal solution. On the algorithmic side, we merge the re-solving heuristic with distribution estimation skills and propose an algorithm that achieves an $\widetilde{O}(1)$ regret as long as the fluid LP has a unique and non-degenerate solution. Furthermore, we prove that our algorithm maintains a near-optimal $\widetilde{O}(\sqrt{T})$ regret even in the worst cases and extend these results to the setting where the request and external factor are continuous. Regarding information structure, our regret results are obtained under two feedback models, respectively, where the algorithm accesses the external factor at the end of each round and at the end of a round only when a non-null action is executed.
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Existing approaches for learning representations of time-series keep the temporal arrangement of the time-steps intact with the presumption that the original order is the most optimal for learning. However, non-adjacent sections of real-world time-series may have strong dependencies. Accordingly, we raise the question: Is there an alternative arrangement for time-series which could enable more effective representation learning? To address this, we propose a simple plug-and-play neural network layer called Segment, Shuffle, and Stitch (S3) designed to improve representation learning in time-series models. S3 works by creating non-overlapping segments from the original sequence and shuffling them in a learned manner that is optimal for the task at hand. It then re-attaches the shuffled segments back together and performs a learned weighted sum with the original input to capture both the newly shuffled sequence along with the original sequence. S3 is modular and can be stacked to achieve different levels of granularity, and can be added to many forms of neural architectures including CNNs or Transformers with negligible computation overhead. Through extensive experiments on several datasets and state-of-the-art baselines, we show that incorporating S3 results in significant improvements for the tasks of time-series classification, forecasting, and anomaly detection, improving performance on certain datasets by up to 68\%. We also show that S3 makes the learning more stable with a smoother training loss curve and loss landscape compared to the original baseline. The code is available at https://github.com/shivam-grover/S3-TimeSeries.
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Inverse reinforcement learning (IRL) aims to infer a reward from expert demonstrations, motivated by the idea that the reward, rather than the policy, is the most succinct and transferable description of a task [Ng et al., 2000]. However, the reward corresponding to an optimal policy is not unique, making it unclear if an IRL-learned reward is transferable to new transition laws in the sense that its optimal policy aligns with the optimal policy corresponding to the expert's true reward. Past work has addressed this problem only under the assumption of full access to the expert's policy, guaranteeing transferability when learning from two experts with the same reward but different transition laws that satisfy a specific rank condition [Rolland et al., 2022]. In this work, we show that the conditions developed under full access to the expert's policy cannot guarantee transferability in the more practical scenario where we have access only to demonstrations of the expert. Instead of a binary rank condition, we propose principal angles as a more refined measure of similarity and dissimilarity between transition laws. Based on this, we then establish two key results: 1) a sufficient condition for transferability to any transition laws when learning from at least two experts with sufficiently different transition laws, and 2) a sufficient condition for transferability to local changes in the transition law when learning from a single expert. Furthermore, we also provide a probably approximately correct (PAC) algorithm and an end-to-end analysis for learning transferable rewards from demonstrations of multiple experts.
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We introduce QuaRot, a new Quantization scheme based on Rotations, which is able to quantize LLMs end-to-end, including all weights, activations, and KV cache in 4 bits. QuaRot rotates LLMs in a way that removes outliers from the hidden state without changing the output, making quantization easier. This computational invariance is applied to the hidden state (residual) of the LLM, as well as to the activations of the feed-forward components, aspects of the attention mechanism, and to the KV cache. The result is a quantized model where all matrix multiplications are performed in 4 bits, without any channels identified for retention in higher precision. Our 4-bit quantized LLAMA2-70B model has losses of at most 0.47 WikiText-2 perplexity and retains 99% of the zero-shot performance. We also show that QuaRot can provide lossless 6 and 8 bit LLAMA-2 models without any calibration data using round-to-nearest quantization. Code is available at github.com/spcl/QuaRot.
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We propose adaptive, line-search-free second-order methods with optimal rate of convergence for solving convex-concave min-max problems. By means of an adaptive step size, our algorithms feature a simple update rule that requires solving only one linear system per iteration, eliminating the need for line-search or backtracking mechanisms. Specifically, we base our algorithms on the optimistic method and appropriately combine it with second-order information. Moreover, distinct from common adaptive schemes, we define the step size recursively as a function of the gradient norm and the prediction error in the optimistic update. We first analyze a variant where the step size requires knowledge of the Lipschitz constant of the Hessian. Under the additional assumption of Lipschitz continuous gradients, we further design a parameter-free version by tracking the Hessian Lipschitz constant locally and ensuring the iterates remain bounded. We also evaluate the practical performance of our algorithm by comparing it to existing second-order algorithms for minimax optimization.
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Graph Neural Networks (GNNs) have shown great performance in various tasks, with the core idea of learning from data labels and aggregating messages within the neighborhood of nodes. However, the common challenges in graphs are twofold: insufficient accurate (high-quality) labels and limited neighbors for nodes, resulting in weak GNNs. Existing graph augmentation methods typically address only one of these challenges, often adding training costs or relying on oversimplified or knowledge-intensive strategies, limiting their generalization. To simultaneously address both challenges faced by graphs in a generalized way, we propose an elegant method called IntraMix. Considering the incompatibility of vanilla Mixup with the complex topology of graphs, IntraMix innovatively employs Mixup among inaccurate labeled data of the same class, generating high-quality labeled data at minimal cost. Additionally, it finds data with high confidence of being clustered into the same group as the generated data to serve as their neighbors, thereby enriching the neighborhoods of graphs. IntraMix efficiently tackles both issues faced by graphs and challenges the prior notion of the limited effectiveness of Mixup in node classification. IntraMix is a theoretically grounded plug-in-play method that can be readily applied to all GNNs. Extensive experiments demonstrate the effectiveness of IntraMix across various GNNs and datasets. Our code is available at: [https://github.com/Zhengsh123/IntraMix](https://github.com/Zhengsh123/IntraMix).
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The conditional quantile treatment effect (CQTE) can provide insight into the effect of a treatment beyond the conditional average treatment effect (CATE). This ability to provide information over multiple quantiles of the response makes the CQTE especially valuable in cases where the effect of a treatment is not well-modelled by a location shift, even conditionally on the covariates. Nevertheless, the estimation of the CQTE is challenging and often depends upon the smoothness of the individual quantiles as a function of the covariates rather than smoothness of the CQTE itself. This is in stark contrast to the CATE where it is possible to obtain high-quality estimates which have less dependency upon the smoothness of the nuisance parameters when the CATE itself is smooth. Moreover, relative smoothness of the CQTE lacks the interpretability of smoothness of the CATE making it less clear whether it is a reasonable assumption to make. We combine the desirable properties of the CATE and CQTE by considering a new estimand, the conditional quantile comparator (CQC). The CQC not only retains information about the whole treatment distribution, similar to the CQTE, but also having more natural examples of smoothness and is able to leverage simplicity in an auxiliary estimand. We provide finite sample bounds on the error of our estimator, demonstrating its ability to exploit simplicity. We validate our theory in numerical simulations which show that our method produces more accurate estimates than baselines. Finally, we apply our methodology to a study on the effect of employment incentives on earnings across different age groups. We see that our method is able to reveal heterogeneity of the effect across different quantiles.
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We study computational aspects of algorithmic replicability, a notion of stability introduced by Impagliazzo, Lei, Pitassi, and Sorrell [STOC, 2022]. Motivated by a recent line of work that established strong statistical connections between replicability and other notions of learnability such as online learning, private learning, and SQ learning, we aim to understand better the computational connections between replicability and these learning paradigms. Our first result shows that there is a concept class that is efficiently replicably PAC learnable, but, under standard cryptographic assumptions, no efficient online learner exists for this class. Subsequently, we design an efficient replicable learner for PAC learning parities when the marginal distribution is far from uniform, making progress on a question posed by Impagliazzo et al. [STOC, 2022]. To obtain this result, we design a replicable lifting framework inspired by Blanc, Lange, Malik, and Tan [STOC, 2023], that transforms in a black-box manner efficient replicable PAC learners under the uniform marginal distribution over the Boolean hypercube to replicable PAC learners under any marginal distribution, with sample and time complexity that depends on a certain measure of the complexity of the distribution. Finally, we show that any pure DP learner can be transformed in a black-box manner to a replicable learner, with time complexity polynomial in the confidence and accuracy parameters, but exponential in the representation dimension of the underlying hypothesis class.
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Graph Neural Networks (GNNs) often perform better for high-degree nodes than low-degree nodes on node classification tasks. This degree bias can reinforce social marginalization by, e.g., privileging celebrities and other high-degree actors in social networks during social and content recommendation. While researchers have proposed numerous hypotheses for why GNN degree bias occurs, we find via a survey of 38 degree bias papers that these hypotheses are often not rigorously validated, and can even be contradictory. Thus, we provide an analysis of the origins of degree bias in message-passing GNNs with different graph filters. We prove that high-degree test nodes tend to have a lower probability of misclassification regardless of how GNNs are trained. Moreover, we show that degree bias arises from a variety of factors that are associated with a node's degree (e.g., homophily of neighbors, diversity of neighbors). Furthermore, we show that during training, some GNNs may adjust their loss on low-degree nodes more slowly than on high-degree nodes; however, with sufficiently many epochs of training, message-passing GNNs can achieve their maximum possible training accuracy, which is not significantly limited by their expressive power. Throughout our analysis, we connect our findings to previously-proposed hypotheses for the origins of degree bias, supporting and unifying some while drawing doubt to others. We validate our theoretical findings on 8 common real-world networks, and based on our theoretical and empirical insights, describe a roadmap to alleviate degree bias.
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Although modern imaging technologies allow us to study connectivity between two distinct brain regions $\textit{in-vivo}$, an in-depth understanding of how anatomical structure supports brain function and how spontaneous functional fluctuations emerge remarkable cognition is still elusive. Meanwhile, tremendous efforts have been made in the realm of machine learning to establish the nonlinear mapping between neuroimaging data and phenotypic traits. However, the absence of neuroscience insight in the current approaches poses significant challenges in understanding cognitive behavior from transient neural activities. To address this challenge, we put the spotlight on the coupling mechanism of structural connectivity (SC) and functional connectivity (FC) by formulating such network neuroscience question into an expressive graph representation learning problem for high-order topology. Specifically, we introduce the concept of $\textit{topological detour}$ to characterize how a ubiquitous instance of FC (direct link) is supported by neural pathways (detour) physically wired by SC, which forms a cyclic loop interacted by brain structure and function. In the clich\'e of machine learning, the multi-hop detour pathway underlying SC-FC coupling allows us to devise a novel multi-head self-attention mechanism within Transformer to capture multi-modal feature representation from paired graphs of SC and FC. Taken together, we propose a biological-inspired deep model, coined as $\textit{NeuroPath}$, to find putative connectomic feature representations from the unprecedented amount of neuroimages, which can be plugged into various downstream applications such as task recognition and disease diagnosis. We have evaluated $\textit{NeuroPath}$ on large-scale public datasets including Human Connectome Project (HCP) and UK Biobank (UKB) under different experiment settings of supervised and zero-shot learning, where the state-of-the-art performance by our $\textit{NeuroPath}$ indicates great potential in network neuroscience.
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Fully connected Graph Transformers (GT) have rapidly become prominent in the static graph community as an alternative to Message-Passing models, which suffer from a lack of expressivity, oversquashing, and under-reaching. However, in a dynamic context, by interconnecting all nodes at multiple snapshots with self-attention,GT loose both structural and temporal information. In this work, we introduce Supra-LAplacian encoding for spatio-temporal TransformErs (SLATE), a new spatio-temporal encoding to leverage the GT architecture while keeping spatio-temporal information. Specifically, we transform Discrete Time Dynamic Graphs into multi-layer graphs and take advantage of the spectral properties of their associated supra-Laplacian matrix. Our second contribution explicitly model nodes' pairwise relationships with a cross-attention mechanism, providing an accurate edge representation for dynamic link prediction. SLATE outperforms numerous state-of-the-art methods based on Message-Passing Graph Neural Networks combined with recurrent models (e.g, LSTM), and Dynamic Graph Transformers, on~9 datasets. Code is open-source and available at this link https://github.com/ykrmm/SLATE.
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Before deploying outputs from foundation models in high-stakes tasks, it is imperative to ensure that they align with human values. For instance, in radiology report generation, reports generated by a vision-language model must align with human evaluations before their use in medical decision-making. This paper presents Conformal Alignment, a general framework for identifying units whose outputs meet a user-specified alignment criterion. It is guaranteed that on average, a prescribed fraction of selected units indeed meet the alignment criterion, regardless of the foundation model or the data distribution. Given any pre-trained model and new units with model-generated outputs, Conformal Alignment leverages a set of reference data with ground-truth alignment status to train an alignment predictor. It then selects new units whose predicted alignment scores surpass a data-dependent threshold, certifying their corresponding outputs as trustworthy. Through applications to question answering and radiology report generation, we demonstrate that our method is able to accurately identify units with trustworthy outputs via lightweight training over a moderate amount of reference data. En route, we investigate the informativeness of various features in alignment prediction and combine them with standard models to construct the alignment predictor.
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This paper studies decentralized bilevel optimization, in which multiple agents collaborate to solve problems involving nested optimization structures with neighborhood communications. Most existing literature primarily utilizes gradient tracking to mitigate the influence of data heterogeneity, without exploring other well-known heterogeneity-correction techniques such as EXTRA or Exact Diffusion. Additionally, these studies often employ identical decentralized strategies for both upper- and lower-level problems, neglecting to leverage distinct mechanisms across different levels. To address these limitations, this paper proposes SPARKLE, a unified single-loop primal-dual algorithm framework for decentralized bilevel optimization. SPARKLE offers the flexibility to incorporate various heterogeneity-correction strategies into the algorithm. Moreover, SPARKLE allows for different strategies to solve upper- and lower-level problems. We present a unified convergence analysis for SPARKLE, applicable to all its variants, with state-of-the-art convergence rates compared to existing decentralized bilevel algorithms. Our results further reveal that EXTRA and Exact Diffusion are more suitable for decentralized bilevel optimization, and using mixed strategies in bilevel algorithms brings more benefits than relying solely on gradient tracking.
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Disentangling the explanatory factors in complex data is a promising approach for generalizable and data-efficient representation learning. While a variety of quantitative metrics for learning and evaluating disentangled representations have been proposed, it remains unclear what properties these metrics truly quantify. In this work, we establish algebraic relationships between logical definitions and quantitative metrics to derive theoretically grounded disentanglement metrics. Concretely, we introduce a compositional approach for converting a higher-order predicate into a real-valued quantity by replacing (i) equality with a strict premetric, (ii) the Heyting algebra of binary truth values with a quantale of continuous values, and (iii) quantifiers with aggregators. The metrics induced by logical definitions have strong theoretical guarantees, and some of them are easily differentiable and can be used as learning objectives directly. Finally, we empirically demonstrate the effectiveness of the proposed metrics by isolating different aspects of disentangled representations.
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Second-order optimization has been shown to accelerate the training of deep neural networks in many applications, often yielding faster progress per iteration on the training loss compared to first-order optimizers. However, the generalization properties of second-order methods are still being debated. Theoretical investigations have proved difficult to carry out outside the tractable settings of heavily simplified model classes - thus, the relevance of existing theories to practical deep learning applications remains unclear. Similarly, empirical studies in large-scale models and real datasets are significantly confounded by the necessity to approximate second-order updates in practice. It is often unclear whether the observed generalization behaviour arises specifically from the second-order nature of the parameter updates, or instead reflects the specific structured (e.g. Kronecker) approximations used or any damping-based interpolation towards first-order updates. Here, we show for the first time that exact Gauss-Newton (GN) updates take on a tractable form in a class of deep reversible architectures that are sufficiently expressive to be meaningfully applied to common benchmark datasets. We exploit this novel setting to study the training and generalization properties of the GN optimizer. We find that exact GN generalizes poorly. In the mini-batch training setting, this manifests as rapidly saturating progress even on the training loss, with parameter updates found to overfit each mini-batch without producing the features that would support generalization to other mini-batches. In contrast to previous work, we show that our experiments run in the feature learning regime, in which the neural tangent kernel (NTK) changes during the course of training. However, changes in the NTK are not associated with any significant change in neural representations, explaining the lack of generalization.
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Standard federated learning (FL) approaches are vulnerable to the free-rider dilemma: participating agents can contribute little to nothing yet receive a well-trained aggregated model. While prior mechanisms attempt to solve the free-rider dilemma, none have addressed the issue of truthfulness. In practice, adversarial agents can provide false information to the server in order to cheat its way out of contributing to federated training. In an effort to make free-riding-averse federated mechanisms truthful, and consequently less prone to breaking down in practice, we propose FACT. FACT is the first federated mechanism that: (1) eliminates federated free riding by using a penalty system, (2) ensures agents provide truthful information by creating a competitive environment, and (3) encourages agent participation by offering better performance than training alone. Empirically, FACT avoids free-riding when agents are untruthful, and reduces agent loss by over 4x.
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Offline model-based optimization seeks to optimize against a learned surrogate model without querying the true oracle objective function during optimization. Such tasks are commonly encountered in protein design, robotics, and clinical medicine where evaluating the oracle function is prohibitively expensive. However, inaccurate surrogate model predictions are frequently encountered along offline optimization trajectories. To address this limitation, we propose *generative adversarial model-based optimization* using **adaptive source critic regularization (aSCR)**—a task- and optimizer- agnostic framework for constraining the optimization trajectory to regions of the design space where the surrogate function is reliable. We propose a computationally tractable algorithm to dynamically adjust the strength of this constraint, and show how leveraging aSCR with standard Bayesian optimization outperforms existing methods on a suite of offline generative design tasks. Our code is available at https://github.com/michael-s-yao/gabo.
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We focus on generative AI for a type of data that still represent one of the most prevalent form of data: tabular data. We introduce a new powerful class of forest-based models fit for such tasks and a simple training algorithm with strong convergence guarantees in a boosting model that parallels that of the original weak / strong supervised learning setting. This algorithm can be implemented by a few tweaks to the most popular induction scheme for decision tree induction (*i.e. supervised learning*) with two classes. Experiments on the quality of generated data display substantial improvements compared to the state of the art. The losses our algorithm minimize and the structure of our models make them practical for related tasks that require fast estimation of a density given a generative model and an observation (even partially specified): such tasks include missing data imputation and density estimation. Additional experiments on these tasks reveal that our models can be notably good contenders to diverse state of the art methods, relying on models as diverse as (or mixing elements of) trees, neural nets, kernels or graphical models.
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Federated graph learning (FedGL) is an emerging learning paradigm to collaboratively train graph data from various clients. However, during the development and deployment of FedGL models, they are susceptible to illegal copying and model theft. Backdoor-based watermarking is a well-known method for mitigating these attacks, as it offers ownership verification to the model owner. We take the first step to protect the ownership of FedGL models via backdoor-based watermarking. Existing techniques have challenges in achieving the goal: 1) they either cannot be directly applied or yield unsatisfactory performance; 2) they are vulnerable to watermark removal attacks; and 3) they lack of formal guarantees. To address all the challenges, we propose FedGMark, the first certified robust backdoor-based watermarking for FedGL. FedGMark leverages the unique graph structure and client information in FedGL to learn customized and diverse watermarks. It also designs a novel GL architecture that facilitates defending against both the empirical and theoretically worst-case watermark removal attacks. Extensive experiments validate the promising empirical and provable watermarking performance of FedGMark. Source code is available at: https://github.com/Yuxin104/FedGMark.
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Evaluating the performance of deep models in new scenarios has drawn increasing attention in recent years due to the wide application of deep learning techniques in various fields. However, while it is possible to collect data from new scenarios, the annotations are not always available. Existing Domain Adaptive Object Detection (DAOD) works usually report their performance by selecting the best model on the validation set or even the test set of the target domain, which is highly impractical in real-world applications. In this paper, we propose a novel unsupervised model selection approach for domain adaptive object detection, which is able to select almost the optimal model for the target domain without using any target labels. Our approach is based on the flat minima principle, i.e., models located in the flat minima region in the parameter space usually exhibit excellent generalization ability. However, traditional methods require labeled data to evaluate how well a model is located in the flat minima region, which is unrealistic for the DAOD task. Therefore, we design a Detection Adaptation Score (DAS) approach to approximately measure the flat minima without using target labels. We show via a generalization bound that the flatness can be deemed as model variance, while the minima depend on the domain distribution distance for the DAOD task. Accordingly, we propose a Flatness Index Score (FIS) to assess the flatness by measuring the classification and localization fluctuation before and after perturbations of model parameters and a Prototypical Distance Ratio (PDR) score to seek the minima by measuring the transferability and discriminability of the models. In this way, the proposed DAS approach can effectively represent the degree of flat minima and evaluate the model generalization ability on the target domain. We have conducted extensive experiments on various DAOD benchmarks and approaches, and the experimental results show that the proposed DAS correlates well with the performance of DAOD models and can be used as an effective tool for model selection after training. The code will be released at https://github.com/HenryYu23/DAS.
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Bandits with preference feedback present a powerful tool for optimizing unknown target functions when only pairwise comparisons are allowed instead of direct value queries. This model allows for incorporating human feedback into online inference and optimization and has been employed in systems for tuning large language models. The problem is fairly understood in toy settings with linear target functions or over finite small domains that limits practical interest. Taking the next step, we consider infinite domains and kernelized rewards. In this setting, selecting a pair of actions is quite challenging and requires balancing exploration and exploitation at two levels: within the pair, and along the iterations of the algorithm. We propose MaxMinLCB, which emulates this trade-off as a zero-sum Stackelberg game and chooses action pairs that are informative and have favorable reward values. MaxMinLCB consistently outperforms algorithms in the literature and satisfies an anytime-valid rate-optimal regret guarantee. This is owed to our novel preference-based confidence sequences for kernelized logistic estimators, which are of independent interest.
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We present an optimal method for encoding cluster assignments of arbitrary data sets. Our method, Random Cycle Coding (RCC), encodes data sequentially and sends assignment information as cycles of the permutation defined by the order of encoded elements. RCC does not require any training and its worst-case complexity scales quasi-linearly with the size of the largest cluster. We characterize the achievable bit rates as a function of cluster sizes and number of elements, showing RCC consistently outperforms previous methods while requiring less compute and memory resources. Experiments show RCC can save up to $2$ bytes per element when applied to vector databases, and removes the need for assigning integer ids to identify vectors, translating to savings of up to $70\%$ in vector database systems for similarity search applications.
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Algorithms with (machine-learned) predictions is a powerful framework for combining traditional worst-case algorithms with modern machine learning. However, the vast majority of work in this space assumes that the prediction itself is non-probabilistic, even if it is generated by some stochastic process (such as a machine learning system). This is a poor fit for modern ML, particularly modern neural networks, which naturally generate a *distribution*. We initiate the study of algorithms with *distributional* predictions, where the prediction itself is a distribution. We focus on one of the simplest yet fundamental settings: binary search (or searching a sorted array). This setting has one of the simplest algorithms with a point prediction, but what happens if the prediction is a distribution? We show that this is a richer setting: there are simple distributions where using the classical prediction-based algorithm with any single prediction does poorly. Motivated by this, as our main result, we give an algorithm with query complexity $O(H(p) + \log \eta)$, where $H(p)$ is the entropy of the true distribution $p$ and $\eta$ is the earth mover's distance between $p$ and the predicted distribution $\hat p$. This also yields the first *distributionally-robust* algorithm for the classical problem of computing an optimal binary search tree given a distribution over target keys. We complement this with a lower bound showing that this query complexity is essentially optimal (up to constants), and experiments validating the practical usefulness of our algorithm.
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Supervised multi-modal learning involves mapping multiple modalities to a target label. Previous studies in this field have concentrated on capturing in isolation either the inter-modality dependencies (the relationships between different modalities and the label) or the intra-modality dependencies (the relationships within a single modality and the label). We argue that these conventional approaches that rely solely on either inter- or intra-modality dependencies may not be optimal in general. We view the multi-modal learning problem from the lens of generative models where we consider the target as a source of multiple modalities and the interaction between them. Towards that end, we propose inter- \& intra-modality modeling (I2M2) framework, which captures and integrates both the inter- and intra-modality dependencies, leading to more accurate predictions. We evaluate our approach using real-world healthcare and vision-and-language datasets with state-of-the-art models, demonstrating superior performance over traditional methods focusing only on one type of modality dependency. The code is available at https://github.com/divyam3897/I2M2.
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We study stochastic linear bandits where, in each round, the learner receives a set of actions (i.e., feature vectors), from which it chooses an element and obtains a stochastic reward. The expected reward is a fixed but unknown linear function of the chosen action. We study \emph{sparse} regret bounds, that depend on the number $S$ of non-zero coefficients in the linear reward function. Previous works focused on the case where $S$ is known, or the action sets satisfy additional assumptions. In this work, we obtain the first sparse regret bounds that hold when $S$ is unknown and the action sets are adversarially generated. Our techniques combine online to confidence set conversions with a novel randomized model selection approach over a hierarchy of nested confidence sets. When $S$ is known, our analysis recovers state-of-the-art bounds for adversarial action sets. We also show that a variant of our approach, using Exp3 to dynamically select the confidence sets, can be used to improve the empirical performance of stochastic linear bandits while enjoying a regret bound with optimal dependence on the time horizon.
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Private data analysis faces a significant challenge known as the curse of dimensionality, leading to increased costs. However, many datasets possess an inherent low-dimensional structure. For instance, during optimization via gradient descent, the gradients frequently reside near a low-dimensional subspace. If the low-dimensional structure could be privately identified using a small amount of points, we could avoid paying for the high ambient dimension. On the negative side, Dwork, Talwar, Thakurta, and Zhang (STOC 2014) proved that privately estimating subspaces, in general, requires an amount of points that has a polynomial dependency on the dimension. However, their bounds do not rule out the possibility to reduce the number of points for "easy" instances. Yet, providing a measure that captures how much a given dataset is "easy" for this task turns out to be challenging, and was not properly addressed in prior works. Inspired by the work of Singhal and Steinke (NeurIPS 2021), we provide the first measures that quantify "easiness" as a function of multiplicative singular-value gaps in the input dataset, and support them with new upper and lower bounds. In particular, our results determine the first types of gaps that are sufficient and necessary for estimating a subspace with an amount of points that is independent of the dimension. Furthermore, we realize our upper bounds using a practical algorithm and demonstrate its advantage in high-dimensional regimes compared to prior approaches.
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The standard approach for Partially Observable Markov Decision Processes (POMDPs) is to convert them to a fully observed belief-state MDP. However, the belief state depends on the system model and is therefore not viable in reinforcement learning (RL) settings. A widely used alternative is to use an agent state, which is a model-free, recursively updateable function of the observation history. Examples include frame stacking and recurrent neural networks. Since the agent state is model-free, it is used to adapt standard RL algorithms to POMDPs. However, standard RL algorithms like Q-learning learn a stationary policy. Our main thesis that we illustrate via examples is that because the agent state does not satisfy the Markov property, non-stationary agent-state based policies can outperform stationary ones. To leverage this feature, we propose PASQL (periodic agent-state based Q-learning), which is a variant of agent-state-based Q-learning that learns periodic policies. By combining ideas from periodic Markov chains and stochastic approximation, we rigorously establish that PASQL converges to a cyclic limit and characterize the approximation error of the converged periodic policy. Finally, we present a numerical experiment to highlight the salient features of PASQL and demonstrate the benefit of learning periodic policies over stationary policies.
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In model inversion attacks (MIAs), adversaries attempt to recover private training data by exploiting access to a well-trained target model. Recent advancements have improved MIA performance using a two-stage generative framework. This approach first employs a generative adversarial network to learn a fixed distributional prior, which is then used to guide the inversion process during the attack. However, in this paper, we observed a phenomenon that such a fixed prior would lead to a low probability of sampling actual private data during the inversion process due to the inherent distribution gap between the prior distribution and the private data distribution, thereby constraining attack performance. To address this limitation, we propose increasing the density around high-quality pseudo-private data—recovered samples through model inversion that exhibit characteristics of the private training data—by slightly tuning the generator. This strategy effectively increases the probability of sampling actual private data that is close to these pseudo-private data during the inversion process. After integrating our method, the generative model inversion pipeline is strengthened, leading to improvements over state-of-the-art MIAs. This paves the way for new research directions in generative MIAs.
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Occupancy functions play an instrumental role in reinforcement learning (RL) for guiding exploration, handling distribution shift, and optimizing general objectives beyond the expected return. Yet, computationally efficient policy optimization methods that use (only) occupancy functions are virtually non-existent. In this paper, we establish the theoretical foundations of model-free policy gradient (PG) methods that compute the gradient through the occupancy for both online and offline RL, without modeling value functions. Our algorithms reduce gradient estimation to squared-loss regression and are computationally oracle-efficient. We characterize the sample complexities of both local and global convergence, accounting for both finite-sample estimation error and the roles of exploration (online) and data coverage (offline). Occupancy-based PG naturally handles arbitrary offline data distributions, and, with one-line algorithmic changes, can be adapted to optimize any differentiable objective functional.
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Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for *zero-shot inference* of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observations. Second, a neural recognition model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that *one and the same* (pretrained) recognition model can infer, *in a zero-shot fashion*, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are trained on the target datasets. Our pretrained model is available online.
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Graph Neural Networks (GNNs), a type of neural network that can learn from graph-structured data through neighborhood information aggregation, have shown superior performance in various downstream tasks. However, as the number of layers increases, node representations becomes indistinguishable, which is known as over-smoothing. To address this issue, many residual methods have emerged. In this paper, we focus on the over-smoothing issue and related residual methods. Firstly, we revisit over-smoothing from the perspective of overlapping neighborhood subgraphs, and based on this, we explain how residual methods can alleviate over-smoothing by integrating multiple orders neighborhood subgraphs to avoid the indistinguishability of the single high-order neighborhood subgraphs. Additionally, we reveal the drawbacks of previous residual methods, such as the lack of node adaptability and severe loss of high-order neighborhood subgraph information, and propose a \textbf{Posterior-Sampling-based, Node-Adaptive Residual module (PSNR)}. We theoretically demonstrate that PSNR can alleviate the drawbacks of previous residual methods. Furthermore, extensive experiments verify the superiority of the PSNR module in fully observed node classification and missing feature scenarios. Our code is available at \href{https://github.com/jingbo02/PSNR-GNN}{https://github.com/jingbo02/PSNR-GNN}.
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In online bilateral trade, a platform posts prices to incoming pairs of buyers and sellers that have private valuations for a certain good. If the price is lower than the buyers' valuation and higher than the sellers' valuation, then a trade takes place. Previous work focused on the platform perspective, with the goal of setting prices maximizing the *gain from trade* (the sum of sellers' and buyers' utilities). Gain from trade is, however, potentially unfair to traders, as they may receive highly uneven shares of the total utility. In this work we enforce fairness by rewarding the platform with the _fair gain from trade_, defined as the minimum between sellers' and buyers' utilities. After showing that any no-regret learning algorithm designed to maximize the sum of the utilities may fail badly with fair gain from trade, we present our main contribution: a complete characterization of the regret regimes for fair gain from trade when, after each interaction, the platform only learns whether each trader accepted the current price. Specifically, we prove the following regret bounds: $\Theta(\ln T)$ in the deterministic setting, $\Omega(T)$ in the stochastic setting, and $\tilde{\Theta}(T^{2/3})$ in the stochastic setting when sellers' and buyers' valuations are independent of each other. We conclude by providing tight regret bounds when, after each interaction, the platform is allowed to observe the true traders' valuations.
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Deep reinforcement learning (RL) algorithms typically parameterize the policy as a deep network that outputs either a deterministic action or a stochastic one modeled as a Gaussian distribution, hence restricting learning to a single behavioral mode. Meanwhile, diffusion models emerged as a powerful framework for multimodal learning. However, the use of diffusion policies in online RL is hindered by the intractability of policy likelihood approximation, as well as the greedy objective of RL methods that can easily skew the policy to a single mode. This paper presents Deep Diffusion Policy Gradient (DDiffPG), a novel actor-critic algorithm that learns from scratch multimodal policies parameterized as diffusion models while discovering and maintaining versatile behaviors. DDiffPG explores and discovers multiple modes through off-the-shelf unsupervised clustering combined with novelty-based intrinsic motivation. DDiffPG forms a multimodal training batch and utilizes mode-specific Q-learning to mitigate the inherent greediness of the RL objective, ensuring the improvement of the diffusion policy across all modes. Our approach further allows the policy to be conditioned on mode-specific embeddings to explicitly control the learned modes. Empirical studies validate DDiffPG's capability to master multimodal behaviors in complex, high-dimensional continuous control tasks with sparse rewards, also showcasing proof-of-concept dynamic online replanning when navigating mazes with unseen obstacles. Our project page is available at https://supersglzc.github.io/projects/ddiffpg/.
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The empirical success of distributional reinforcement learning (RL) highly relies on the choice of distribution divergence equipped with an appropriate distribution representation. In this paper, we propose \textit{Sinkhorn distributional RL (SinkhornDRL)}, which leverages Sinkhorn divergence—a regularized Wasserstein loss—to minimize the difference between current and target Bellman return distributions. Theoretically, we prove the contraction properties of SinkhornDRL, aligning with the interpolation nature of Sinkhorn divergence between Wasserstein distance and Maximum Mean Discrepancy (MMD). The introduced SinkhornDRL enriches the family of distributional RL algorithms, contributing to interpreting the algorithm behaviors compared with existing approaches by our investigation into their relationships. Empirically, we show that SinkhornDRL consistently outperforms or matches existing algorithms on the Atari games suite and particularly stands out in the multi-dimensional reward setting. \thanks{Code is available in \url{https://github.com/datake/SinkhornDistRL}.}.
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Deep neural networks (DNNs) have showcased their remarkable precision in approximating smooth functions. However, they suffer from the {\it spectral bias}, wherein DNNs typically exhibit a tendency to prioritize the learning of lower-frequency components of a function, struggling to effectively capture its high-frequency features. This paper is to address this issue. Notice that a function having only low frequency components may be well-represented by a shallow neural network (SNN), a network having only a few layers. By observing that composition of low frequency functions can effectively approximate a high-frequency function, we propose to learn a function containing high-frequency components by composing several SNNs, each of which learns certain low-frequency information from the given data. We implement the proposed idea by exploiting the multi-grade deep learning (MGDL) model, a recently introduced model that trains a DNN incrementally, grade by grade, a current grade learning from the residue of the previous grade only an SNN (with trainable parameters) composed with the SNNs (with fixed parameters) trained in the preceding grades as features. We apply MGDL to synthetic, manifold, colored images, and MNIST datasets, all characterized by presence of high-frequency features. Our study reveals that MGDL excels at representing functions containing high-frequency information. Specifically, the neural networks learned in each grade adeptly capture some low-frequency information, allowing their compositions with SNNs learned in the previous grades effectively representing the high-frequency features. Our experimental results underscore the efficacy of MGDL in addressing the spectral bias inherent in DNNs. By leveraging MGDL, we offer insights into overcoming spectral bias limitation of DNNs, thereby enhancing the performance and applicability of deep learning models in tasks requiring the representation of high-frequency information. This study confirms that the proposed method offers a promising solution to address the spectral bias of DNNs. The code is available on GitHub: \href{https://github.com/Ronglong-Fang/AddressingSpectralBiasviaMGDL}{\texttt{Addressing Spectral Bias via MGDL}}.
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Location-based services (LBS) have accumulated extensive human mobility data on diverse behaviors through check-in sequences. These sequences offer valuable insights into users’ intentions and preferences. Yet, existing models analyzing check-in sequences fail to consider the semantics contained in these sequences, which closely reflect human visiting intentions and travel preferences, leading to an incomplete comprehension. Drawing inspiration from the exceptional semantic understanding and contextual information processing capabilities of large language models (LLMs) across various domains, we present Mobility-LLM, a novel framework that leverages LLMs to analyze check-in sequences for multiple tasks. Since LLMs cannot directly interpret check-ins, we reprogram these sequences to help LLMs comprehensively understand the semantics of human visiting intentions and travel preferences. Specifically, we introduce a visiting intention memory network (VIMN) to capture the visiting intentions at each record, along with a shared pool of human travel preference prompts (HTPP) to guide the LLM in understanding users’ travel preferences. These components enhance the model’s ability to extract and leverage semantic information from human mobility data effectively. Extensive experiments on four benchmark datasets and three downstream tasks demonstrate that our approach significantly outperforms existing models, underscoring the effectiveness of Mobility-LLM in advancing our understanding of human mobility data within LBS contexts.
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Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs remains largely a mystery. In this paper, we present a novel framework for the interpretation of LMMs. We propose a dictionary learning based approach, applied to the representation of tokens. The elements of the learned dictionary correspond to our proposed concepts. We show that these concepts are well semantically grounded in both vision and text. Thus we refer to these as ``multi-modal concepts''. We qualitatively and quantitatively evaluate the results of the learnt concepts. We show that the extracted multimodal concepts are useful to interpret representations of test samples. Finally, we evaluate the disentanglement between different concepts and the quality of grounding concepts visually and textually. Our implementation is publicly available: https://github.com/mshukor/xl-vlms.
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``The right to be forgotten'' ensured by laws for user data privacy becomes increasingly important. Machine unlearning aims to efficiently remove the effect of certain data points on the trained model parameters so that it can be approximately the same as if one retrains the model from scratch. We propose to leverage projected noisy stochastic gradient descent for unlearning and establish its first approximate unlearning guarantee under the convexity assumption. Our approach exhibits several benefits, including provable complexity saving compared to retraining, and supporting sequential and batch unlearning. Both of these benefits are closely related to our new results on the infinite Wasserstein distance tracking of the adjacent (un)learning processes. Extensive experiments show that our approach achieves a similar utility under the same privacy constraint while using $2\%$ and $10\%$ of the gradient computations compared with the state-of-the-art gradient-based approximate unlearning methods for mini-batch and full-batch settings, respectively.
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We consider sequential treatment regimes where each unit is exposed to combinations of interventions over time. When interventions are described by qualitative labels, such as "close schools for a month due to a pandemic" or "promote this podcast to this user during this week", it is unclear which appropriate structural assumptions allow us to generalize behavioral predictions to previously unseen combinations of interventions. Standard black-box approaches mapping sequences of categorical variables to outputs are applicable, but they rely on poorly understood assumptions on how reliable generalization can be obtained, and may underperform under sparse sequences, temporal variability, and large action spaces. To approach that, we pose an explicit model for composition, that is, how the effect of sequential interventions can be isolated into modules, clarifying which data conditions allow for the identification of their combined effect at different units and time steps. We show the identification properties of our compositional model, inspired by advances in causal matrix factorization methods. Our focus is on predictive models for novel compositions of interventions instead of matrix completion tasks and causal effect estimation. We compare our approach to flexible but generic black-box models to illustrate how structure aids prediction in sparse data conditions.
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Critique ability, i.e., the capability of Large Language Models (LLMs) to identify and rectify flaws in responses, is crucial for their applications in self-improvement and scalable oversight. While numerous studies have been proposed to evaluate critique ability of LLMs, their comprehensiveness and reliability are still limited. To overcome this problem, we introduce CriticEval, a novel benchmark designed to comprehensively and reliably evaluate critique ability of LLMs. Specifically, to ensure the comprehensiveness, CriticEval evaluates critique ability from four dimensions across nine diverse task scenarios. It evaluates both scalar-valued and textual critiques, targeting responses of varying quality. To ensure the reliability, a large number of critiques are annotated to serve as references, enabling GPT-4 to evaluate textual critiques reliably. Extensive evaluations of open-source and closed-source LLMs first validate the reliability of evaluation in CriticEval. Then, experimental results demonstrate the promising potential of open-source LLMs, the effectiveness of critique datasets and several intriguing relationships between the critique ability and some critical factors, including task types, response qualities and critique dimensions.
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The recently introduced Consistency models pose an efficient alternative to diffusion algorithms, enabling rapid and good quality image synthesis. These methods overcome the slowness of diffusion models by directly mapping noise to data, while maintaining a (relatively) simpler training. Consistency models enable a fast one- or few-step generation, but they typically fall somewhat short in sample quality when compared to their diffusion origins. In this work we propose a novel and highly effective technique for post-processing Consistency-based generated images, enhancing their perceptual quality. Our approach utilizes a joint classifier-discriminator model, in which both portions are trained adversarially. While the classifier aims to grade an image based on its assignment to a designated class, the discriminator portion of the very same network leverages the softmax values to assess the proximity of the input image to the targeted data manifold, thereby serving as an Energy-based Model. By employing example-specific projected gradient iterations under the guidance of this joint machine, we refine synthesized images and achieve an improved FID scores on the ImageNet 64x64 dataset for both Consistency-Training and Consistency-Distillation techniques.
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Reinforcement Learning (RL) utilizing kernel ridge regression to predict the expected value function represents a powerful method with great representational capacity. This setting is a highly versatile framework amenable to analytical results. We consider kernel-based function approximation for RL in the infinite horizon average reward setting, also referred to as the undiscounted setting. We propose an *optimistic* algorithm, similar to acquisition function based algorithms in the special case of bandits. We establish novel *no-regret* performance guarantees for our algorithm, under kernel-based modelling assumptions. Additionally, we derive a novel confidence interval for the kernel-based prediction of the expected value function, applicable across various RL problems.
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Data distillation and coresets have emerged as popular approaches to generate a smaller representative set of samples for downstream learning tasks to handle large-scale datasets. At the same time, machine learning is being increasingly applied to decision-making processes at a societal level, making it imperative for modelers to address inherent biases towards subgroups present in the data. While current approaches focus on creating fair synthetic representative samples by optimizing local properties relative to the original samples, their impact on downstream learning processes has yet to be explored. In this work, we present fair Wasserstein coresets ($\texttt{FWC}$), a novel coreset approach which generates fair synthetic representative samples along with sample-level weights to be used in downstream learning tasks. $\texttt{FWC}$ uses an efficient majority minimization algorithm to minimize the Wasserstein distance between the original dataset and the weighted synthetic samples while enforcing demographic parity. We show that an unconstrained version of $\texttt{FWC}$ is equivalent to Lloyd's algorithm for k-medians and k-means clustering. Experiments conducted on both synthetic and real datasets show that $\texttt{FWC}$: (i) achieves a competitive fairness-performance tradeoff in downstream models compared to existing approaches, (ii) improves downstream fairness when added to the existing training data and (iii) can be used to reduce biases in predictions from large language models (GPT-3.5 and GPT-4).
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The commercial text-to-image deep generation models (e.g. DALL·E) can produce high-quality images based on input language descriptions. These models incorporate a black-box safety filter to prevent the generation of unsafe or unethical content, such as violent, criminal, or hateful imagery. Recent jailbreaking methods generate adversarial prompts capable of bypassing safety filters and producing unsafe content, exposing vulnerabilities in influential commercial models. However, once these adversarial prompts are identified, the safety filter can be updated to prevent the generation of unsafe images. In this work, we propose an effective, simple, and difficult-to-detect jailbreaking solution: generating safe content initially with normal text prompts and then editing the generations to embed unsafe content. The intuition behind this idea is that the deep generation model cannot reject safe generation with normal text prompts, while the editing models focus on modifying the local regions of images and do not involve a safety strategy. However, implementing such a solution is non-trivial, and we need to overcome several challenges: how to automatically confirm the normal prompt to replace the unsafe prompts, and how to effectively perform editable replacement and naturally generate unsafe content. In this work, we propose the collaborative generation and editing for jailbreaking text-to-image deep generation (ColJailBreak), which comprises three key components: adaptive normal safe substitution, inpainting-driven injection of unsafe content, and contrastive language-image-guided collaborative optimization. We validate our method on three datasets and compare it to two baseline methods. Our method could generate unsafe content through two commercial deep generation models including GPT-4 and DALL·E 2.
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Instruction tuning is a supervised fine-tuning approach that significantly improves the ability of large language models (LLMs) to follow human instructions. For programming tasks, most models are finetuned with costly human-annotated instruction-response pairs or those generated by large, proprietary LLMs, which may not be permitted. We propose SelfCodeAlign, the first fully transparent and permissive pipeline for self-aligning code LLMs without extensive human annotations or distillation. SelfCodeAlign employs the same base model for inference throughout the data generation process. It first extracts diverse coding concepts from high-quality seed snippets to generate new tasks. It then samples multiple responses per task, pairs each with test cases, and validates them in a sandbox environment. Finally, passing examples are selected for instruction tuning. In our primary experiments, we use SelfCodeAlign with CodeQwen1.5-7B to generate a dataset of 74k instruction-response pairs. Finetuning on this dataset leads to a model that achieves a 67.1 pass@1 on HumanEval+, surpassing CodeLlama-70B-Instruct despite being ten times smaller. Across all benchmarks, this finetuned model consistently outperforms the original version trained with OctoPack, the previous state-of-the-art method for instruction tuning without human annotations or distillation. Additionally, we show that SelfCodeAlign is effective across LLMs of various sizes, from 3B to 33B, and that the base models can benefit more from alignment with their own data distribution. We further validate each component’s effectiveness in our pipeline, showing that SelfCodeAlign outperforms both direct distillation from GPT-4o and leading GPT-3.5-based distillation methods, such as OSS-Instruct and Evol-Instruct. SelfCodeAlign has also led to the creation of StarCoder2-Instruct, the first fully transparent, permissively licensed, and self-aligned code LLM that achieves state-of-the-art coding performance. Overall, SelfCodeAlign shows for the first time that a strong instruction-tuned code LLM can result from self-alignment rather than distillation.
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Despite the advanced intelligence abilities of large language models (LLMs) in various applications, they still face significant computational and storage demands. Knowledge Distillation (KD) has emerged as an effective strategy to improve the performance of a smaller LLM (i.e., the student model) by transferring knowledge from a high-performing LLM (i.e., the teacher model). Prevailing techniques in LLM distillation typically use a black-box model API to generate high-quality pretrained and aligned datasets, or utilize white-box distillation by altering the loss function to better transfer knowledge from the teacher LLM. However, these methods ignore the knowledge differences between the student and teacher LLMs across domains. This results in excessive focus on domains with minimal performance gaps and insufficient attention to domains with large gaps, reducing overall performance. In this paper, we introduce a new LLM distillation framework called DDK, which dynamically adjusts the composition of the distillation dataset in a smooth manner according to the domain performance differences between the teacher and student models, making the distillation process more stable and effective. Extensive evaluations show that DDK significantly improves the performance of student models, outperforming both continuously pretrained baselines and existing knowledge distillation methods by a large margin.
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Approximate Natural Gradient Descent (NGD) methods are an important family of optimisers for deep learning models, which use approximate Fisher information matrices to pre-condition gradients during training. The empirical Fisher (EF) method approximates the Fisher information matrix empirically by reusing the per-sample gradients collected during back-propagation. Despite its ease of implementation, the EF approximation has its theoretical and practical limitations. This paper investigates the *inversely-scaled projection* issue of EF, which is shown to be a major cause of its poor empirical approximation quality. An improved empirical Fisher (iEF) method is proposed to address this issue, which is motivated as a generalised NGD method from a loss reduction perspective, meanwhile retaining the practical convenience of EF. The exact iEF and EF methods are experimentally evaluated using practical deep learning setups, including widely-used setups for parameter-efficient fine-tuning of pre-trained models (T5-base with LoRA and Prompt-Tuning on GLUE tasks, and ViT with LoRA for CIFAR100). Optimisation experiments show that applying exact iEF directly as an optimiser provides strong convergence and generalisation. It achieves the best test performance and the lowest training loss for the majority of the tasks, even when compared to well-tuned AdamW/Adafactor baselines. Additionally, under a novel empirical evaluation framework, the proposed iEF method shows consistently better approximation quality to exact Natural Gradient updates than both the EF and the more expensive sampled Fisher methods, meanwhile demonstrating the superior property of being robust to the choice of damping across tasks and training stages. Improving existing approximate NGD optimisers with iEF is expected to lead to better convergence and robustness. Furthermore, the iEF method also serves as a better approximation method to the Fisher information matrix itself, which enables the improvement of a variety of Fisher-based methods, not limited to the scope of optimisation.
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Predicting molecular impact on cellular function is a core challenge in therapeutic design. Phenomic experiments, designed to capture cellular morphology, utilize microscopy based techniques and demonstrate a high throughput solution for uncovering molecular impact on the cell. In this work, we learn a joint latent space between molecular structures and microscopy phenomic experiments, aligning paired samples with contrastive learning. Specifically, we study the problem of Contrastive PhenoMolecular Retrieval, which consists of zero-shot molecular structure identification conditioned on phenomic experiments. We assess challenges in multi-modal learning of phenomics and molecular modalities such as experimental batch effect, inactive molecule perturbations, and encoding perturbation concentration. We demonstrate improved multi-modal learner retrieval through (1) a uni-modal pre-trained phenomics model, (2) a novel inter sample similarity aware loss, and (3) models conditioned on a representation of molecular concentration. Following this recipe, we propose MolPhenix, a molecular phenomics model. MolPhenix leverages a pre-trained phenomics model to demonstrate significant performance gains across perturbation concentrations, molecular scaffolds, and activity thresholds. In particular, we demonstrate an 8.1 times improvement in zero shot molecular retrieval of active molecules over the previous state-of-the-art, reaching 77.33% in top-1% accuracy. These results open the door for machine learning to be applied in virtual phenomics screening, which can significantly benefit drug discovery applications.
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Event-based cameras are attracting significant interest as they provide rich edge information, high dynamic range, and high temporal resolution. Many state-of-the-art event-based algorithms rely on splitting the events into fixed groups, resulting in the omission of crucial temporal information, particularly when dealing with diverse motion scenarios (e.g., high/low speed). In this work, we propose SpikeSlicer, a novel-designed event processing framework capable of splitting events stream adaptively. SpikeSlicer utilizes a low-energy spiking neural network (SNN) to trigger event slicing. To guide the SNN to fire spikes at optimal time steps, we propose the Spiking Position-aware Loss (SPA-Loss) to modulate the neuron's state. Additionally, we develop a Feedback-Update training strategy that refines the slicing decisions using feedback from the downstream artificial neural network (ANN). Extensive experiments demonstrate that our method yields significant performance improvements in event-based object tracking and recognition. Notably, SpikeSlicer provides a brand-new SNN-ANN cooperation paradigm, where the SNN acts as an efficient, low-energy data processor to assist the ANN in improving downstream performance, injecting new perspectives and potential avenues of exploration.
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Despite careful safety alignment, current large language models (LLMs) remain vulnerable to various attacks. To further unveil the safety risks of LLMs, we introduce a Safety Concept Activation Vector (SCAV) framework, which effectively guides the attacks by accurately interpreting LLMs' safety mechanisms. We then develop an SCAV-guided attack method that can generate both attack prompts and embedding-level attacks with automatically selected perturbation hyperparameters. Both automatic and human evaluations demonstrate that our attack method significantly improves the attack success rate and response quality while requiring less training data. Additionally, we find that our generated attack prompts may be transferable to GPT-4, and the embedding-level attacks may also be transferred to other white-box LLMs whose parameters are known. Our experiments further uncover the safety risks present in current LLMs. For example, in our evaluation of seven open-source LLMs, we observe an average attack success rate of 99.14%, based on the classic keyword-matching criterion. Finally, we provide insights into the safety mechanism of LLMs. The code is available at https://github.com/SproutNan/AI-Safety_SCAV.
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We introduce a novel approach for detecting distribution shifts that negatively impact the performance of machine learning models in continuous production environments, which requires no access to ground truth data labels. It builds upon the work of Podkopaev and Ramdas [2022], who address scenarios where labels are available for tracking model errors over time. Our solution extends this framework to work in the absence of labels, by employing a proxy for the true error. This proxy is derived using the predictions of a trained error estimator. Experiments show that our method has high power and false alarm control under various distribution shifts, including covariate and label shifts and natural shifts over geography and time.
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Federated Learning (FL) is an evolving paradigm that enables multiple parties to collaboratively train models without sharing raw data. Among its variants, Vertical Federated Learning (VFL) is particularly relevant in real-world, cross-organizational collaborations, where distinct features of a shared instance group are contributed by different parties. In these scenarios, parties are often linked using fuzzy identifiers, leading to a common practice termed as _multi-party fuzzy VFL_. Existing models generally address either multi-party VFL or fuzzy VFL between two parties. Extending these models to practical multi-party fuzzy VFL typically results in significant performance degradation and increased costs for maintaining privacy. To overcome these limitations, we introduce the _Federated Transformer (FeT)_, a novel framework that supports multi-party VFL with fuzzy identifiers. FeT innovatively encodes these identifiers into data representations and employs a transformer architecture distributed across different parties, incorporating three new techniques to enhance performance. Furthermore, we have developed a multi-party privacy framework for VFL that integrates differential privacy with secure multi-party computation, effectively protecting local representations while minimizing associated utility costs. Our experiments demonstrate that the FeT surpasses the baseline models by up to 46\% in terms of accuracy when scaled to 50 parties. Additionally, in two-party fuzzy VFL settings, FeT also shows improved performance and privacy over cutting-edge VFL models.
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Link prediction is a critical problem in graph learning with broad applications such as recommender systems and knowledge graph completion. Numerous research efforts have been directed at solving this problem, including approaches based on similarity metrics and Graph Neural Networks (GNN). However, most existing solutions are still rooted in conventional supervised learning, which makes it challenging to adapt over time to changing customer interests and to address the inherent dilemma of exploitation versus exploration in link prediction. To tackle these challenges, this paper reformulates link prediction as a sequential decision-making process, where each link prediction interaction occurs sequentially. We propose a novel fusion algorithm, PRB (PageRank Bandits), which is the first to combine contextual bandits with PageRank for collaborative exploitation and exploration. We also introduce a new reward formulation and provide a theoretical performance guarantee for PRB. Finally, we extensively evaluate PRB in both online and offline settings, comparing it with bandit-based and graph-based methods. The empirical success of PRB demonstrates the value of the proposed fusion approach. Our code is released at https://github.com/jiaruzouu/PRB.
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Mobile devices have become essential enablers for AI applications, particularly in scenarios that require real-time performance. Vision Transformer (ViT) has become a fundamental cornerstone in this regard due to its high accuracy. Recent efforts have been dedicated to developing various transformer architectures that offer im- proved accuracy while reducing the computational requirements. However, existing research primarily focuses on reducing the theoretical computational complexity through methods such as local attention and model pruning, rather than considering realistic performance on mobile hardware. Although these optimizations reduce computational demands, they either introduce additional overheads related to data transformation (e.g., Reshape and Transpose) or irregular computation/data-access patterns. These result in significant overhead on mobile devices due to their limited bandwidth, which even makes the latency worse than vanilla ViT on mobile. In this paper, we present ECP-ViT, a real-time framework that employs the core-periphery principle inspired by the brain functional networks to guide self-attention in ViTs and enable the deployment of ViT models on smartphones. We identify the main bottleneck in transformer structures caused by data transformation and propose a hardware-friendly core-periphery guided self-attention to decrease computation demands. Additionally, we design the system optimizations for intensive data transformation in pruned models. ECP-ViT, with the proposed algorithm-system co-optimizations, achieves a speedup of 4.6× to 26.9× on mobile GPUs across four datasets: STL-10, CIFAR100, TinyImageNet, and ImageNet.
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Q-learning is widely used algorithm in reinforcement learning (RL) community. Under the lookup table setting, its convergence is well established. However, its behavior is known to be unstable with the linear function approximation case. This paper develops a new Q-learning algorithm, called RegQ, that converges when linear function approximation is used. We prove that simply adding an appropriate regularization term ensures convergence of the algorithm. Its stability is established using a recent analysis tool based on switching system models. Moreover, we experimentally show that RegQ converges in environments where Q-learning with linear function approximation has known to diverge. An error bound on the solution where the algorithm converges is also given.
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The concept of probabilistic values, such as Beta Shapley values and weighted Banzhaf values, has gained recent attention in applications like feature attribution and data valuation. However, exact computation of these values is often exponentially expensive, necessitating approximation techniques. Prior research has shown that the choice of probabilistic values significantly impacts downstream performance, with no universally superior option. Consequently, one may have to approximate multiple candidates and select the best-performing one. Although there have been many efforts to develop efficient estimators, none are intended to approximate all probabilistic values both simultaneously and efficiently. In this work, we embark on the first exploration of achieving this goal. Adhering to the principle of maximum sample reuse and avoiding amplifying factors, we propose a one-sample-fits-all framework parameterized by a sampling vector to approximate intermediate terms that can be converted to any probabilistic value. Leveraging the concept of $ (\epsilon, \delta) $-approximation, we theoretically identify a key formula that effectively determines the convergence rate of our framework. By optimizing the sampling vector using this formula, we obtain i) a one-for-all estimator that achieves the currently best time complexity for all probabilistic values on average, and ii) a faster generic estimator with the sampling vector optimally tuned for each probabilistic value. Particularly, our one-for-all estimator achieves the fastest convergence rate on Beta Shapley values, including the well-known Shapley value, both theoretically and empirically. Finally, we establish a connection between probabilistic values and the least square regression used in (regularized) datamodels, showing that our one-for-all estimator can solve a family of datamodels simultaneously. Our code is available at https://github.com/watml/one-for-all.
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Accurately modeling the correlation structure of errors is critical for reliable uncertainty quantification in probabilistic time series forecasting. While recent deep learning models for multivariate time series have developed efficient parameterizations for time-varying contemporaneous covariance, but they often assume temporal independence of errors for simplicity. However, real-world data often exhibit significant error autocorrelation and cross-lag correlation due to factors such as missing covariates. In this paper, we introduce a plug-and-play method that learns the covariance structure of errors over multiple steps for autoregressive models with Gaussian-distributed errors. To ensure scalable inference and computational efficiency, we model the contemporaneous covariance using a low-rank-plus-diagonal parameterization and capture cross-covariance through a group of independent latent temporal processes. The learned covariance matrix is then used to calibrate predictions based on observed residuals. We evaluate our method on probabilistic models built on RNNs and Transformer architectures, and the results confirm the effectiveness of our approach in improving predictive accuracy and uncertainty quantification without significantly increasing the parameter size.
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In this paper, we investigate the feature encoding process in a prototypical energy-based generative model, the Restricted Boltzmann Machine (RBM). We start with an analytical investigation using simplified architectures and data structures, and end with numerical analysis of real trainings on real datasets. Our study tracks the evolution of the model’s weight matrix through its singular value decomposition, revealing a series of thermodynamic phase transitions that shape the principal learning modes of the empirical probability distribution. We first describe this process analytically in several controlled setups that allow us to fully monitor the training dynamics until convergence. We then validate these findings by training the Bernoulli-Bernoulli RBM on real data sets. By studying the phase behavior over data sets of increasing dimension, we show that these phase transitions are genuine in the thermodynamic sense. Moreover, we propose a mean-field finite-size scaling hypothesis, confirming that the initial phase transition, reminiscent of the paramagnetic-to-ferromagnetic phase transition in mean-field ferromagnetism models, is governed by mean-field critical exponents.
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Approximating invariant subspaces of generalized eigenvalue problems (GEPs) is a fundamental computational problem at the core of machine learning and scientific computing. It is, for example, the root of Principal Component Analysis (PCA) for dimensionality reduction, data visualization, and noise filtering, and of Density Functional Theory (DFT), arguably the most popular method to calculate the electronic structure of materials. Given Hermitian $H,S\in\mathbb{C}^{n\times n}$, where $S$ is positive-definite, let $\Pi_k$ be the true spectral projector on the invariant subspace that is associated with the $k$ smallest (or largest) eigenvalues of the GEP $HC=SC\Lambda$, for some $k\in[n]$. We show that we can compute a matrix $\widetilde\Pi_k$ such that $\lVert\Pi_k-\widetilde\Pi_k\rVert_2\leq \epsilon$, in $O\left( n^{\omega+\eta}\mathrm{polylog}(n,\epsilon^{-1},\kappa(S),\mathrm{gap}_k^{-1}) \right)$ bit operations in the floating point model, for some $\epsilon\in(0,1)$, with probability $1-1/n$. Here, $\eta>0$ is arbitrarily small, $\omega\lesssim 2.372$ is the matrix multiplication exponent, $\kappa(S)=\lVert S\rVert_2\lVert S^{-1}\rVert_2$, and $\mathrm{gap}_k$ is the gap between eigenvalues $k$ and $k+1$. To achieve such provable "forward-error" guarantees, our methods rely on a new $O(n^{\omega+\eta})$ stability analysis for the Cholesky factorization, and a smoothed analysis for computing spectral gaps, which can be of independent interest. Ultimately, we obtain new matrix multiplication-type bit complexity upper bounds for PCA problems, including classical PCA and (randomized) low-rank approximation.
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As an emerging task that integrates perception and reasoning, topology reasoning in autonomous driving scenes has recently garnered widespread attention. However, existing work often emphasizes "perception over reasoning": they typically boost reasoning performance by enhancing the perception of lanes and directly adopt vanilla MLPs to learn lane topology from lane query. This paradigm overlooks the geometric features intrinsic to the lanes themselves and are prone to being influenced by inherent endpoint shifts in lane detection. To tackle this issue, we propose an interpretable method for lane topology reasoning based on lane geometric distance and lane query similarity, named TopoLogic. This method mitigates the impact of endpoint shifts in geometric space, and introduces explicit similarity calculation in semantic space as a complement. By integrating results from both spaces, our methods provides more comprehensive information for lane topology. Ultimately, our approach significantly outperforms the existing state-of-the-art methods on the mainstream benchmark OpenLane-V2 (23.9 v.s. 10.9 in TOP$_{ll}$ and 44.1 v.s. 39.8 in OLS on subsetA). Additionally, our proposed geometric distance topology reasoning method can be incorporated into well-trained models without re-training, significantly enhancing the performance of lane topology reasoning. The code is released at https://github.com/Franpin/TopoLogic.
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Matrix factorization models have been extensively studied as a valuable test-bed for understanding the implicit biases of overparameterized models. Although both low nuclear norm and low rank regularization have been studied for these models, a unified understanding of when, how, and why they achieve different implicit regularization effects remains elusive. In this work, we systematically investigate the implicit regularization of matrix factorization for solving matrix completion problems. We empirically discover that the connectivity of observed data plays a key role in the implicit bias, with a transition from low nuclear norm to low rank as data shifts from disconnected to connected with increased observations. We identify a hierarchy of intrinsic invariant manifolds in the loss landscape that guide the training trajectory to evolve from low-rank to higher-rank solutions. Based on this finding, we theoretically characterize the training trajectory as following the hierarchical invariant manifold traversal process, generalizing the characterization of Li et al.(2020) to include the disconnected case. Furthermore, we establish conditions that guarantee minimum nuclear norm, closely aligning with our experimental findings, and we provide a dynamics characterization condition for ensuring minimum rank. Our work reveals the intricate interplay between data connectivity, training dynamics, and implicit regularization in matrix factorization models.
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Citation networks are critical infrastructures of modern science, serving as intricate webs of past literature and enabling researchers to navigate the knowledge production system. To mine information hiding in the link space of such networks, predicting which previous papers (candidates) will a new paper (query) cite is a critical problem that has long been studied. However, an important gap remains unaddressed: the roles of a paper's citations vary significantly, ranging from foundational knowledge basis to superficial contexts. Distinguishing these roles requires a deeper understanding of the logical relationships among papers, beyond simple edges in citation networks. The emergence of large language models (LLMs) with textual reasoning capabilities offers new possibilities for discerning these relationships, but there are two major challenges. First, in practice, a new paper may select its citations from gigantic existing papers, where the combined texts far exceed the context length of LLMs. Second, logical relationships between papers are often implicit, and directly prompting an LLM to predict citations may lead to results based primarily on surface-level textual similarities, rather than the deeper logical reasoning required. In this paper, we introduce the novel concept of core citation, which identifies the critical references that go beyond superficial mentions. Thereby, we elevate the citation prediction task from a simple binary classification to a more nuanced problem: distinguishing core citations from both superficial citations and non-citations. To address this, we propose $\textbf{HLM-Cite}$, a $\textbf{H}$ybrid $\textbf{L}$anguage $\textbf{M}$odel workflow for citation prediction, which combines embedding and generative LMs. We design a curriculum finetune procedure to adapt a pretrained text embedding model to coarsely retrieve high-likelihood core citations from vast candidate sets and then design an LLM agentic workflow to rank the retrieved papers through one-shot reasoning, revealing the implicit relationships among papers. With the two-stage pipeline, we can scale the candidate sets to 100K papers, vastly exceeding the size handled by existing methods. We evaluate HLM-Cite on a dataset across 19 scientific fields, demonstrating a 17.6\% performance improvement comparing SOTA methods. Our code is open-source at https://github.com/tsinghua-fib-lab/H-LM for reproducibility.
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The sparsely activated mixture of experts (MoE) model presents an effective alternative to densely activated (dense) models, combining improved accuracy with computational efficiency. However, training MoE models from scratch requires extensive data and computational resources, a challenge that limits their widespread adoption. To address this, we introduce MoE Jetpack, a framework designed to fine-tune the abundant and easily accessible dense checkpoints into MoE models. MoE Jetpack incorporates two key techniques: (1) **checkpoint recycling**, which initializes MoE models with dense checkpoints to accelerate convergence and enhance accuracy, minimizing the need for extensive pre-training; (2) the **hyperspherical adaptive MoE (SpheroMoE) layer**, which optimizes the MoE architecture to enhance fine-tuning performance and efficiency. Experimental results indicate that MoE Jetpack doubles the convergence speed and enhances accuracy by 2.8% on ImageNet-1K. On smaller datasets, it achieves up to 8-fold faster convergence and over 30% accuracy gains, highlighting its efficiency. The code is available at https://github.com/Adlith/MoE-Jetpack.
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The cortico-spinal neural pathway is fundamental for motor control and movement execution, and in humans it is typically studied using concurrent electroencephalography (EEG) and electromyography (EMG) recordings. However, current approaches for capturing high-level and contextual connectivity between these recordings have important limitations. Here, we present a novel application of statistical dependence estimators based on orthonormal decomposition of density ratios to model the relationship between cortical and muscle oscillations. Our method extends from traditional scalar-valued measures by learning eigenvalues, eigenfunctions, and projection spaces of density ratios from realizations of the signal, addressing the interpretability, scalability, and local temporal dependence of cortico-muscular connectivity. We experimentally demonstrate that eigenfunctions learned from cortico-muscular connectivity can accurately classify movements and subjects. Moreover, they reveal channel and temporal dependencies that confirm the activation of specific EEG channels during movement.
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In sensitive contexts, providers of machine learning algorithms are increasingly required to give explanations for their algorithms' decisions. However, explanation receivers might not trust the provider, who potentially could output misleading or manipulated explanations. In this work, we investigate an auditing framework in which a third-party auditor or a collective of users attempts to sanity-check explanations: they can query model decisions and the corresponding local explanations, pool all the information received, and then check for basic consistency properties. We prove upper and lower bounds on the amount of queries that are needed for an auditor to succeed within this framework. Our results show that successful auditing requires a potentially exorbitant number of queries -- particularly in high dimensional cases. Our analysis also reveals that a key property is the ``locality'' of the provided explanations --- a quantity that so far has not been paid much attention to in the explainability literature. Looking forward, our results suggest that for complex high-dimensional settings, merely providing a pointwise prediction and explanation could be insufficient, as there is no way for the users to verify that the provided explanations are not completely made-up.
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In dynamic submodular maximization, the goal is to maintain a high-value solution over a sequence of element insertions and deletions with a fast update time. Motivated by large-scale applications and the fact that dynamic data often exhibits patterns, we ask the following question: can predictions be used to accelerate the update time of dynamic submodular maximization algorithms? We consider the model for dynamic algorithms with predictions where predictions regarding the insertion and deletion times of elements can be used for preprocessing. Our main result is an algorithm with an $O(\text{poly}(\log \eta, \log w, \log k))$ amortized update time over the sequence of updates that achieves a $1/2 - \epsilon$ approximation for dynamic monotone submodular maximization under a cardinality constraint $k$, where the prediction error $\eta$ is the number of elements that are not inserted and deleted within $w$ time steps of their predicted insertion and deletion times. This amortized update time is independent of the length of the stream and instead depends on the prediction error.
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As large language models (LLMs) become increasingly prevalent across many real-world applications, understanding and enhancing their robustness to adversarial attacks is of paramount importance. Existing methods for identifying adversarial prompts tend to focus on specific domains, lack diversity, or require extensive human annotations. To address these limitations, we present Rainbow Teaming, a novel black-box approach for producing a diverse collection of adversarial prompts. Rainbow Teaming casts adversarial prompt generation as a quality-diversity problem and uses open-ended search to generate prompts that are both effective and diverse. Focusing on the safety domain, we use Rainbow Teaming to target various state-of-the-art LLMs, including the Llama 2 and Llama 3 models. Our approach reveals hundreds of effective adversarial prompts, with an attack success rate exceeding 90% across all tested models. Furthermore, we demonstrate that prompts generated by Rainbow Teaming are highly transferable and that fine-tuning models with synthetic data generated by our method significantly enhances their safety without sacrificing general performance or helpfulness. We additionally explore the versatility of Rainbow Teaming by applying it to question answering and cybersecurity, showcasing its potential to drive robust open-ended self-improvement in a wide range of applications.
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Follow-the-Regularized-Leader (FTRL) is a powerful framework for various online learning problems. By designing its regularizer and learning rate to be adaptive to past observations, FTRL is known to work adaptively to various properties of an underlying environment. However, most existing adaptive learning rates are for online learning problems with a minimax regret of $\Theta(\sqrt{T})$ for the number of rounds $T$, and there are only a few studies on adaptive learning rates for problems with a minimax regret of $\Theta(T^{2/3})$, which include several important problems dealing with indirect feedback. To address this limitation, we establish a new adaptive learning rate framework for problems with a minimax regret of $\Theta(T^{2/3})$. Our learning rate is designed by matching the stability, penalty, and bias terms that naturally appear in regret upper bounds for problems with a minimax regret of $\Theta(T^{2/3})$. As applications of this framework, we consider three major problems with a minimax regret of $\Theta(T^{2/3})$: partial monitoring, graph bandits, and multi-armed bandits with paid observations. We show that FTRL with our learning rate and the Tsallis entropy regularizer improves existing Best-of-Both-Worlds (BOBW) regret upper bounds, which achieve simultaneous optimality in the stochastic and adversarial regimes. The resulting learning rate is surprisingly simple compared to the existing learning rates for BOBW algorithms for problems with a minimax regret of $\Theta(T^{2/3})$.
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Despite advancements in Text-to-Video (T2V) generation, producing videos with realistic motion remains challenging. Current models often yield static or minimally dynamic outputs, failing to capture complex motions described by text. This issue stems from the internal biases in text encoding which overlooks motions, and inadequate conditioning mechanisms in T2V generation models. To address this, we propose a novel framework called DEcomposed MOtion (DEMO), which enhances motion synthesis in T2V generation by decomposing both text encoding and conditioning into content and motion components. Our method includes a content encoder for static elements and a motion encoder for temporal dynamics, alongside separate content and motion conditioning mechanisms. Crucially, we introduce text-motion and video-motion supervision to improve the model's understanding and generation of motion. Evaluations on benchmarks such as MSR-VTT, UCF-101, WebVid-10M, EvalCrafter, and VBench demonstrate DEMO's superior ability to produce videos with enhanced motion dynamics while maintaining high visual quality. Our approach significantly advances T2V generation by integrating comprehensive motion understanding directly from textual descriptions. Project page: https://PR-Ryan.github.io/DEMO-project/
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In a great number of tasks in science and engineering, the goal is to infer an unknown image from a small number of noisy measurements collected from a known forward model describing certain sensing or imaging modality. Due to resource constraints, this image reconstruction task is often extremely ill-posed, which necessitates the adoption of expressive prior information to regularize the solution space. Score-based diffusion models, thanks to its impressive empirical success, have emerged as an appealing candidate of an expressive prior in image reconstruction. In order to accommodate diverse tasks at once, it is of great interest to develop efficient, consistent and robust algorithms that incorporate unconditional score functions of an image prior distribution in conjunction with flexible choices of forward models. This work develops an algorithmic framework for employing score-based diffusion models as an expressive data prior in nonlinear inverse problems with general forward models. Motivated by the plug-and-play framework in the imaging community, we introduce a diffusion plug-and-play method (DPnP) that alternatively calls two samplers, a proximal consistency sampler based solely on the likelihood function of the forward model, and a denoising diffusion sampler based solely on the score functions of the image prior. The key insight is that denoising under white Gaussian noise can be solved rigorously via both stochastic (i.e., DDPM-type) and deterministic (i.e., DDIM-type) samplers using the same set of score functions trained for generation. We establish both asymptotic and non-asymptotic performance guarantees of DPnP, and provide numerical experiments to illustrate its promise in solving both linear and nonlinear image reconstruction tasks. To the best of our knowledge, DPnP is the first provably-robust posterior sampling method for nonlinear inverse problems using unconditional diffusion priors.
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Large Language Models (LLMs) are becoming a prominent generative AI tool, where the user enters a query and the LLM generates an answer. To reduce harm and misuse, efforts have been made to align these LLMs to human values using advanced training techniques such as Reinforcement Learning from Human Feedback (RLHF). However, recent studies have highlighted the vulnerability of LLMs to adversarial jailbreak attempts aiming at subverting the embedded safety guardrails. To address this challenge, this paper defines and investigates the **Refusal Loss** of LLMs and then proposes a method called **Gradient Cuff** to detect jailbreak attempts. Gradient Cuff exploits the unique properties observed in the refusal loss landscape, including functional values and its smoothness, to design an effective two-step detection strategy. Experimental results on two aligned LLMs (LLaMA-2-7B-Chat and Vicuna-7B-V1.5) and six types of jailbreak attacks (GCG, AutoDAN, PAIR, TAP, Base64, and LRL) show that Gradient Cuff can significantly improve the LLM's rejection capability for malicious jailbreak queries, while maintaining the model's performance for benign user queries by adjusting the detection threshold.
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Zero-Shot Temporal Action Detection (ZSTAD) aims to classify and localize action segments in untrimmed videos for unseen action categories. Most existing ZSTAD methods utilize a foreground-based approach, limiting the integration of text and visual features due to their reliance on pre-extracted proposals. In this paper, we introduce a cross-modal ZSTAD baseline with mutual cross-attention, integrating both text and visual information throughout the detection process. Our simple approach results in superior performance compared to previous methods. Despite this improvement, we further identify a common-action bias issue that the cross-modal baseline over-focus on common sub-actions due to a lack of ability to discriminate text-related visual parts. To address this issue, we propose Text-infused attention and Foreground-aware Action Detection (Ti-FAD), which enhances the ability to focus on text-related sub-actions and distinguish relevant action segments from the background. Our extensive experiments demonstrate that Ti-FAD outperforms the state-of-the-art methods on ZSTAD benchmarks by a large margin: 41.2\% (+ 11.0\%) on THUMOS14 and 32.0\% (+ 5.4\%) on ActivityNet v1.3. Code is available at: https://github.com/YearangLee/Ti-FAD.
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Generalizable 3D Gaussian splitting (3DGS) can reconstruct new scenes from sparse-view observations in a feed-forward inference manner, eliminating the need for scene-specific retraining required in conventional 3DGS. However, existing methods rely heavily on epipolar priors, which can be unreliable in complex real-world scenes, particularly in non-overlapping and occluded regions. In this paper, we propose eFreeSplat, an efficient feed-forward 3DGS-based model for generalizable novel view synthesis that operates independently of epipolar line constraints. To enhance multiview feature extraction with 3D perception, we employ a self-supervised Vision Transformer (ViT) with cross-view completion pre-training on large-scale datasets. Additionally, we introduce an Iterative Cross-view Gaussians Alignment method to ensure consistent depth scales across different views. Our eFreeSplat represents a new paradigm for generalizable novel view synthesis. We evaluate eFreeSplat on wide-baseline novel view synthesis tasks using the RealEstate10K and ACID datasets. Extensive experiments demonstrate that eFreeSplat surpasses state-of-the-art baselines that rely on epipolar priors, achieving superior geometry reconstruction and novel view synthesis quality.
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Customizing diffusion models to generate identity-preserving images from user-provided reference images is an intriguing new problem. The prevalent approaches typically require training on extensive domain-specific images to achieve identity preservation, which lacks flexibility across different use cases. To address this issue, we exploit classifier guidance, a training-free technique that steers diffusion models using an existing classifier, for personalized image generation. Our study shows that based on a recent rectified flow framework, the major limitation of vanilla classifier guidance in requiring a special classifier can be resolved with a simple fixed-point solution, allowing flexible personalization with off-the-shelf image discriminators. Moreover, its solving procedure proves to be stable when anchored to a reference flow trajectory, with a convergence guarantee. The derived method is implemented on rectified flow with different off-the-shelf image discriminators, delivering advantageous personalization results for human faces, live subjects, and certain objects. Code is available at https://github.com/feifeiobama/RectifID.
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With the continuous evolution of AI-generated images, the generalized detection of them has become a crucial aspect of AI security. Existing detectors have focused on cross-generator generalization, while it remains unexplored whether these detectors can generalize across different image scenes, e.g., images from different datasets with different semantics. In this paper, we reveal that existing detectors suffer from substantial Accuracy drops in such cross-scene generalization. In particular, we attribute their failures to ''semantic artifacts'' in both real and generated images, to which detectors may overfit. To break such ''semantic artifacts'', we propose a simple yet effective approach based on conducting an image patch shuffle and then training an end-to-end patch-based classifier. We conduct a comprehensive open-world evaluation on 31 test sets, covering 7 Generative Adversarial Networks, 18 (variants of) Diffusion Models, and another 6 CNN-based generative models. The results demonstrate that our approach outperforms previous approaches by 2.08\% (absolute) on average regarding cross-scene detection Accuracy. We also notice the superiority of our approach in open-world generalization, with an average Accuracy improvement of 10.59\% (absolute) across all test sets.
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This paper introduces Chain-of-Sight, a vision-language bridge module that accelerates the pre-training of Multimodal Large Language Models (MLLMs). Our approach employs a sequence of visual resamplers that capture visual details at various spacial scales. This architecture not only leverages global and local visual contexts effectively, but also facilitates the flexible extension of visual tokens through a compound token scaling strategy, allowing up to a 16x increase in the token count post pre-training. Consequently, Chain-of-Sight requires significantly fewer visual tokens in the pre-training phase compared to the fine-tuning phase. This intentional reduction of visual tokens during pre-training notably accelerates the pre-training process, cutting down the wall-clock training time by $\sim$73\%. Empirical results on a series of vision-language benchmarks reveal that the pre-train acceleration through Chain-of-Sight is achieved without sacrificing performance, matching or surpassing the standard pipeline of utilizing all visual tokens throughout the entire training process. Further scaling up the number of visual tokens for pre-training leads to stronger performances, competitive to existing approaches in a series of benchmarks.
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Diffusion Transformers (DiT) excel at image and video generation but face computational challenges due to the quadratic complexity of self-attention operators. We propose DiTFastAttn, a post-training compression method to alleviate the computational bottleneck of DiT. We identify three key redundancies in the attention computation during DiT inference: (1) spatial redundancy, where many attention heads focus on local information; (2) temporal redundancy, with high similarity between the attention outputs of neighboring steps; (3) conditional redundancy, where conditional and unconditional inferences exhibit significant similarity. We propose three techniques to reduce these redundancies: (1) $\textit{Window Attention with Residual Sharing}$ to reduce spatial redundancy; (2) $\textit{Attention Sharing across Timesteps}$ to exploit the similarity between steps; (3) $\textit{Attention Sharing across CFG}$ to skip redundant computations during conditional generation.
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Spiking Neural Networks (SNNs) provide a sparse spike-driven mechanism which is believed to be critical for energy-efficient deep learning. Mixture-of-Experts (MoE), on the other side, aligns with the brain mechanism of distributed and sparse processing, resulting in an efficient way of enhancing model capacity and conditional computation. In this work, we consider how to incorporate SNNs’ spike-driven and MoE’s conditional computation into a unified framework. However, MoE uses softmax to get the dense conditional weights for each expert and TopK to hard-sparsify the network, which does not fit the properties of SNNs. To address this issue, we reformulate MoE in SNNs and introduce the Spiking Experts Mixture Mechanism (SEMM) from the perspective of sparse spiking activation. Both the experts and the router output spiking sequences, and their element-wise operation makes SEMM computation spike-driven and dynamic sparse-conditional. By developing SEMM into Spiking Transformer, the Experts Mixture Spiking Attention (EMSA) and the Experts Mixture Spiking Perceptron (EMSP) are proposed, which performs routing allocation for head-wise and channel-wise spiking experts, respectively. Experiments show that SEMM realizes sparse conditional computation and obtains a stable improvement on neuromorphic and static datasets with approximate computational overhead based on the Spiking Transformer baselines.
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Equivariant deep learning architectures exploit symmetries in learning problems to improve the sample efficiency of neural-network-based models and their ability to generalise. However, when modelling real-world data, learning problems are often not *exactly* equivariant, but only approximately. For example, when estimating the global temperature field from weather station observations, local topographical features like mountains break translation equivariance. In these scenarios, it is desirable to construct architectures that can flexibly depart from exact equivariance in a data-driven way. Current approaches to achieving this cannot usually be applied out-of-the-box to any architecture and symmetry group. In this paper, we develop a general approach to achieving this using existing equivariant architectures. Our approach is agnostic to both the choice of symmetry group and model architecture, making it widely applicable. We consider the use of approximately equivariant architectures in neural processes (NPs), a popular family of meta-learning models. We demonstrate the effectiveness of our approach on a number of synthetic and real-world regression experiments, showing that approximately equivariant NP models can outperform both their non-equivariant and strictly equivariant counterparts.
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Current post-training quantization methods for LLMs compress the weights down to 4-bits, with moderate to low degradation in accuracy. However, further reducing the number of bits or accelerating the network while avoiding large accuracy drops, especially for smaller, sub 7B models, remains an actively researched and open problem. To address this, in this work, we introduce Quantization with Binary Bases (QBB), a new approach for low-bit quantization that effectively removes (nearly) all multiplications, reducing the implementation to summations. Our novel approach works by decomposing the original weights into a set of binary (1-bit) matrices using an iterative process. For a given layer, starting from a weight matrix, we first construct an initial approximation using an analytical solution, where each new binary matrix, paired with a scaling vector, approximates the residual error of the previous estimation. Secondly, using gradient descent and a progressive learning curriculum, we find the optimal set of binary matrices and scaling vectors that minimize the $\ell_2$ distance between the produced approximation and original weights. Thirdly, as previous steps are input agnostic, we holistically optimize the scaling vectors alone, calibrating them in student-teacher fashion, with the teacher providing both the data, by autoregressive generation starting from a random token, and the target logits. When evaluated across multiple LLM families, our approach matches and outperforms all prior works, setting a new state-of-the-art result using a summation-only based approach.
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Multi-modal contrastive representation (MCR) of more than three modalities is critical in multi-modal learning. Although recent methods showcase impressive achievements, the high dependence on large-scale, high-quality paired data and the expensive training costs limit their further development. Inspired by recent C-MCR, this paper proposes $\textbf{Ex}$tending $\textbf{M}$ultimodal $\textbf{C}$ontrastive $\textbf{R}$epresentation (Ex-MCR), a training-efficient and paired-data-free method to build unified contrastive representation for many modalities. Since C-MCR is designed to learn a new latent space for the two non-overlapping modalities and projects them onto this space, a significant amount of information from their original spaces is lost in the projection process. To address this issue, Ex-MCR proposes to extend one modality's space into the other's, rather than mapping both modalities onto a completely new space. This method effectively preserves semantic alignment in the original space. Experimentally, we extend pre-trained audio-text and 3D-image representations to the existing vision-text space. Without using paired data, Ex-MCR achieves comparable performance to advanced methods on a series of audio-image-text and 3D-image-text tasks and achieves superior performance when used in parallel with data-driven methods. Moreover, semantic alignment also emerges between the extended modalities (e.g., audio and 3D).
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The design of interpretable deep learning models working in relational domains poses an open challenge: interpretable deep learning methods, such as Concept Bottleneck Models (CBMs), are not designed to solve relational problems, while relational deep learning models, such as Graph Neural Networks (GNNs), are not as interpretable as CBMs. To overcome these limitations, we propose Relational Concept Bottleneck Models (R-CBMs), a family of relational deep learning methods providing interpretable task predictions. As special cases, we show that R-CBMs are capable of both representing standard CBMs and message passing GNNs. To evaluate the effectiveness and versatility of these models, we designed a class of experimental problems, ranging from image classification to link prediction in knowledge graphs. In particular we show that R-CBMs (i) match generalization performance of existing relational black-boxes, (ii) support the generation of quantified concept-based explanations, (iii) effectively respond to test-time interventions, and (iv) withstand demanding settings including out-of-distribution scenarios, limited training data regimes, and scarce concept supervisions.
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Large language models are usually fine-tuned to align with human preferences. However, fine-tuning a large language model can be challenging. In this work, we introduce $\textit{weak-to-strong search}$, framing the alignment of a large language model as a test-time greedy search to maximize the log-probability difference between small tuned and untuned models while sampling from the frozen large model. This method serves both as (1) a compute-efficient model up-scaling strategy that avoids directly tuning the large model and as (2) an instance of weak-to-strong generalization that enhances a strong model with weak test-time guidance. Empirically, we demonstrate the flexibility of weak-to-strong search across different tasks. In controlled-sentiment generation and summarization, we use tuned and untuned $\texttt{gpt2}$s to improve the alignment of large models without additional training. Crucially, in a more difficult instruction-following benchmark, AlpacaEval 2.0, we show that reusing off-the-shelf small models (e.g., $\texttt{zephyr-7b-beta}$ and its untuned version) can improve the length-controlled win rates of both white-box and black-box large models against $\texttt{gpt-4-turbo}$ (e.g., $34.4\% \rightarrow 37.9\%$ for $\texttt{Llama-3-70B-Instruct}$ and $16.0\% \rightarrow 20.1\%$ for $\texttt{gpt-3.5-turbo-instruct}$), despite the small models' low win rates $\approx 10.0\%$.
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This paper investigates the impact of alignment between the target function of interest and the kernel matrix on a variety of kernel-based methods based on a general loss belonging to a rich loss function family, which covers many commonly used methods in regression and classification problems. We consider the truncated kernel-based method (TKM) which is estimated within a reduced function space constructed by using the spectral truncation of the kernel matrix and compare its theoretical behavior to that of the standard kernel-based method (KM) under various settings. By using the kernel complexity function that quantifies the complexity of the induced function space, we derive the upper bounds for both TKM and KM, and further reveal their dependencies on the degree of target-kernel alignment. Specifically, for the alignment with polynomial decay, the established results indicate that under the just-aligned and weakly-aligned regimes, TKM and KM share the same learning rate. Yet, under the strongly-aligned regime, KM suffers the saturation effect, while TKM can be continuously improved as the alignment becomes stronger. This further implies that TKM has a strong ability to capture the strong alignment and provide a theoretically guaranteed solution to eliminate the phenomena of saturation effect. The minimax lower bound is also established for the squared loss to confirm the optimality of TKM. Extensive numerical experiments further support our theoretical findings. The Python code for reproducing the numerical experiments is available at https://github.com/wywangen.
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The advent of Federated Learning (FL) highlights the practical necessity for the ’right to be forgotten’ for all clients, allowing them to request data deletion from the machine learning model’s service provider. This necessity has spurred a growing demand for Federated Unlearning (FU). Feature unlearning has gained considerable attention due to its applications in unlearning sensitive, backdoor, and biased features. Existing methods employ the influence function to achieve feature unlearning, which is impractical for FL as it necessitates the participation of other clients, if not all, in the unlearning process. Furthermore, current research lacks an evaluation of the effectiveness of feature unlearning. To address these limitations, we define feature sensitivity in evaluating feature unlearning according to Lipschitz continuity. This metric characterizes the model output’s rate of change or sensitivity to perturbations in the input feature. We then propose an effective federated feature unlearning framework called Ferrari, which minimizes feature sensitivity. Extensive experimental results and theoretical analysis demonstrate the effectiveness of Ferrari across various feature unlearning scenarios, including sensitive, backdoor, and biased features. The code is publicly available at https://github.com/OngWinKent/Federated-Feature-Unlearning
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Road network representation learning aims to learn compressed and effective vectorized representations for road segments that are applicable to numerous tasks. In this paper, we identify the limitations of existing methods, particularly their overemphasis on the distance effect as outlined in the First Law of Geography. In response, we propose to endow road network representation with the principles of the recent Third Law of Geography. To this end, we propose a novel graph contrastive learning framework that employs geographic configuration-aware graph augmentation and spectral negative sampling, ensuring that road segments with similar geographic configurations yield similar representations, and vice versa, aligning with the principles stated in the Third Law. The framework further fuses the Third Law with the First Law through a dual contrastive learning objective to effectively balance the implications of both laws. We evaluate our framework on two real-world datasets across three downstream tasks. The results show that the integration of the Third Law significantly improves the performance of road segment representations in downstream tasks.
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Applying Guidance in a Limited Interval Improves Sample and Distribution Quality in Diffusion Models
Guidance is a crucial technique for extracting the best performance out of image-generating diffusion models. Traditionally, a constant guidance weight has been applied throughout the sampling chain of an image. We show that guidance is clearly harmful toward the beginning of the chain (high noise levels), largely unnecessary toward the end (low noise levels), and only beneficial in the middle. We thus restrict it to a specific range of noise levels, improving both the inference speed and result quality. This limited guidance interval improves the record FID in ImageNet-512 significantly, from 1.81 to 1.40. We show that it is quantitatively and qualitatively beneficial across different sampler parameters, network architectures, and datasets, including the large-scale setting of Stable Diffusion XL. We thus suggest exposing the guidance interval as a hyperparameter in all diffusion models that use guidance.
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Many high-stakes applications require machine learning models that protect user privacy and provide well-calibrated, accurate predictions. While Differential Privacy (DP) is the gold standard for protecting user privacy, standard DP mechanisms typically significantly impair performance. One approach to mitigating this issue is pre-training models on simulated data before DP learning on the private data. In this work we go a step further, using simulated data to train a meta-learning model that combines the Convolutional Conditional Neural Process (ConvCNP) with an improved functional DP mechanism of Hall et al. (2013), yielding the DPConvCNP. DPConvCNP learns from simulated data how to map private data to a DP predictive model in one forward pass, and then provides accurate, well-calibrated predictions. We compare DPConvCNP with a DP Gaussian Process (GP) baseline with carefully tuned hyperparameters. The DPConvCNP outperforms the GP baseline, especially on non-Gaussian data, yet is much faster at test time and requires less tuning.
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Differential privacy (DP) is a formal notion that restricts the privacy leakage of an algorithm when running on sensitive data, in which privacy-utility trade-off is one of the central problems in private data analysis. In this work, we investigate the fundamental limits of differential privacy in online learning algorithms and present evidence that separates three types of constraints: no DP, pure DP, and approximate DP. We first describe a hypothesis class that is online learnable under approximate DP but not online learnable under pure DP under the adaptive adversarial setting. This indicates that approximate DP must be adopted when dealing with adaptive adversaries. We then prove that any private online learner must make an infinite number of mistakes for almost all hypothesis classes. This essentially generalizes previous results and shows a strong separation between private and non-private settings since a finite mistake bound is always attainable (as long as the class is online learnable) when there is no privacy requirement.
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Recent advances in 4D generation mainly focus on generating 4D content by distilling pre-trained text or single-view image conditioned models. It is inconvenient for them to take advantage of various off-the-shelf 3D assets with multi-view attributes, and their results suffer from spatiotemporal inconsistency owing to the inherent ambiguity in the supervision signals. In this work, we present Animate3D, a novel framework for animating any static 3D model. The core idea is two-fold: 1) We propose a novel multi-view video diffusion model (MV-VDM) conditioned on multi-view renderings of the static 3D object, which is trained on our presented large-scale multi-view video dataset (MV-Video). 2) Based on MV-VDM, we introduce a framework combining reconstruction and 4D Score Distillation Sampling (4D-SDS) to leverage the multi-view video diffusion priors for animating 3D objects. Specifically, for MV-VDM, we design a new spatiotemporal attention module to enhance spatial and temporal consistency by integrating 3D and video diffusion models. Additionally, we leverage the static 3D model’s multi-view renderings as conditions to preserve its identity. For animating 3D models, an effective two-stage pipeline is proposed: we first reconstruct coarse motions directly from generated multi-view videos, followed by the introduced 4D-SDS to model fine-level motions. Benefiting from accurate motion learning, we could achieve straightforward mesh animation. Qualitative and quantitative experiments demonstrate that Animate3D significantly outperforms previous approaches. Data, code, and models are open-released.
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We study a multi-agent imitation learning (MAIL) problem where we take the perspective of a learner attempting to *coordinate* a group of agents based on demonstrations of an expert doing so. Most prior work in MAIL essentially reduces the problem to matching the behavior of the expert *within* the support of the demonstrations. While doing so is sufficient to drive the *value gap* between the learner and the expert to zero under the assumption that agents are non-strategic, it does not guarantee robustness to deviations by strategic agents. Intuitively, this is because strategic deviations can depend on a counterfactual quantity: the coordinator's recommendations outside of the state distribution their recommendations induce. In response, we initiate the study of an alternative objective for MAIL in Markov Games we term the *regret gap* that explicitly accounts for potential deviations by agents in the group. We first perform an in-depth exploration of the relationship between the value and regret gaps. First, we show that while the value gap can be efficiently minimized via a direct extension of single-agent IL algorithms, even *value equivalence* can lead to an arbitrarily large regret gap. This implies that achieving regret equivalence is harder than achieving value equivalence in MAIL. We then provide a pair of efficient reductions to no-regret online convex optimization that are capable of minimizing the regret gap *(a)* under a coverage assumption on the expert (MALICE) or *(b)* with access to a queryable expert (BLADES).
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Occupancy prediction has increasingly garnered attention in recent years for its fine-grained understanding of 3D scenes. Traditional approaches typically rely on dense, regular grid representations, which often leads to excessive computational demands and a loss of spatial details for small objects. This paper introduces OctreeOcc, an innovative 3D occupancy prediction framework that leverages the octree representation to adaptively capture valuable information in 3D, offering variable granularity to accommodate object shapes and semantic regions of varying sizes and complexities. In particular, we incorporate image semantic information to improve the accuracy of initial octree structures and design an effective rectification mechanism to refine the octree structure iteratively. Our extensive evaluations show that OctreeOcc not only surpasses state-of-the-art methods in occupancy prediction, but also achieves a 15%-24% reduction in computational overhead compared to dense-grid-based methods.
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Achieving the no-regret property for Reinforcement Learning (RL) problems in continuous state and action-space environments is one of the major open problems in the field. Existing solutions either work under very specific assumptions or achieve bounds that are vacuous in some regimes. Furthermore, many structural assumptions are known to suffer from a provably unavoidable exponential dependence on the time horizon $H$ in the regret, which makes any possible solution unfeasible in practice. In this paper, we identify _local linearity_ as the feature that makes Markov Decision Processes (MDPs) both _learnable_ (sublinear regret) and _feasible_ (regret that is polynomial in $H$). We define a novel MDP representation class, namely _Locally Linearizable MDPs_, generalizing other representation classes like Linear MDPs and MDPS with low inherent Belmman error. Then, i) we introduce **Cinderella**, a no-regret algorithm for this general representation class, and ii) we show that all known learnable and feasible MDP families are representable in this class. We first show that all known feasible MDPs belong to a family that we call _Mildly Smooth MDPs_. Then, we show how any mildly smooth MDP can be represented as a Locally Linearizable MDP by an appropriate choice of representation. This way, **Cinderella** is shown to achieve state-of-the-art regret bounds for all previously known (and some new) continuous MDPs for which RL is learnable and feasible.
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Although recent advancements in large language models (LLMs) have significantly improved their performance on various tasks, they still face challenges with complex and symbolic multi-step reasoning, particularly in mathematical reasoning. To bolster the mathematical reasoning capabilities of LLMs, most existing efforts concentrate on seeking assistance from either domain experts or GPT-4 for high-quality process-supervised data, which is not only expensive but also labor-intensive. In our study, we propose an innovative framework, AlphaMath, that bypasses the need for process annotations (from humans or GPTs) by leveraging Monte Carlo Tree Search (MCTS). This framework focuses on unleashing the potential of a well-pretrained LLM to autonomously enhance its mathematical reasoning. Specifically, we integrate a value model with the LLM, automatically generating both process supervision and step-level evaluation signals in MCTS. Furthermore, we propose an efficient inference strategy—step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.
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Transformers have demonstrated great power in the recent development of large foundational models. In particular, the Vision Transformer (ViT) has brought revolutionary changes to the field of vision, achieving significant accomplishments on the experimental side. However, their theoretical capabilities, particularly in terms of generalization when trained to overfit training data, are still not fully understood. To address this gap, this work delves deeply into the \textit{benign overfitting} perspective of transformers in vision. To this end, we study the optimization of a Transformer composed of a self-attention layer with softmax followed by a fully connected layer under gradient descent on a certain data distribution model. By developing techniques that address the challenges posed by softmax and the interdependent nature of multiple weights in transformer optimization, we successfully characterized the training dynamics and achieved generalization in post-training. Our results establish a sharp condition that can distinguish between the small test error phase and the large test error regime, based on the signal-to-noise ratio in the data model. The theoretical results are further verified by experimental simulation. To the best of our knowledge, this is the first work to characterize benign overfitting for Transformers.
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From the onset of infanthood, humans naturally develop the ability to closely observe and interpret the visual gaze of others. This skill, known as gaze following, holds significance in developmental theory as it enables us to grasp another person’s mental state, emotions, intentions, and more. In computer vision, gaze following is defined as the prediction of the pixel coordinates where a person in the image is focusing their attention. Existing methods in this research area have predominantly centered on pinpointing the gaze target by predicting a gaze heatmap or gaze point. However, a notable drawback of this approach is its limited practical value in gaze applications, as mere localization may not fully capture our primary interest — understanding the underlying semantics, such as the nature of the gaze target, rather than just its 2D pixel location. To address this gap, we extend the gaze following task, and introduce a novel architecture that simultaneously predicts the localization and semantic label of the gaze target. We devise a pseudo-annotation pipeline for the GazeFollow dataset, propose a new benchmark, develop an experimental protocol and design a suitable baseline for comparison. Our method sets a new state-of-the-art on the main GazeFollow benchmark for localization and achieves competitive results in the recognition task on both datasets compared to the baseline, with 40% fewer parameters
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Since the weak convergence for stochastic processes does not account for the growth of information over time which is represented by the underlying filtration, a slightly erroneous stochastic model in weak topology may cause huge loss in multi-periods decision making problems. To address such discontinuities, Aldous introduced the extended weak convergence, which can fully characterise all essential properties, including the filtration, of stochastic processes; however, it was considered to be hard to find efficient numerical implementations. In this paper, we introduce a novel metric called High Rank PCF Distance (HRPCFD) for extended weak convergence based on the high rank path development method from rough path theory, which also defines the characteristic function for measure-valued processes. We then show that such HRPCFD admits many favourable analytic properties which allows us to design an efficient algorithm for training HRPCFD from data and construct the HRPCF-GAN by using HRPCFD as the discriminator for conditional time series generation. Our numerical experiments on both hypothesis testing and generative modelling validate the out-performance of our approach compared with several state-of-the-art methods, highlighting its potential in broad applications of synthetic time series generation and in addressing classic financial and economic challenges, such as optimal stopping or utility maximisation problems. Code is available at https://github.com/DeepIntoStreams/High-Rank-PCF-GAN.git.
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Gesture synthesis is a vital realm of human-computer interaction, with wide-ranging applications across various fields like film, robotics, and virtual reality. Recent advancements have utilized the diffusion model to improve gesture synthesis. However, the high computational complexity of these techniques limits the application in reality. In this study, we explore the potential of state space models (SSMs). Direct application of SSMs in gesture synthesis encounters difficulties, which stem primarily from the diverse movement dynamics of various body parts. The generated gestures may also exhibit unnatural jittering issues. To address these, we implement a two-stage modeling strategy with discrete motion priors to enhance the quality of gestures. Built upon the selective scan mechanism, we introduce MambaTalk, which integrates hybrid fusion modules, local and global scans to refine latent space representations. Subjective and objective experiments demonstrate that our method surpasses the performance of state-of-the-art models. Our project is publicly available at~\url{https://kkakkkka.github.io/MambaTalk/}.
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As machine learning models are increasingly deployed in dynamic environments, it becomes paramount to assess and quantify uncertainties associated with distribution shifts. A distribution shift occurs when the underlying data-generating process changes, leading to a deviation in the model's performance. The prediction interval, which captures the range of likely outcomes for a given prediction, serves as a crucial tool for characterizing uncertainties induced by their underlying distribution. In this paper, we propose methodologies for aggregating prediction intervals to obtain one with minimal width and adequate coverage on the target domain under unsupervised domain shift, under which we have labeled samples from a related source domain and unlabeled covariates from the target domain. Our analysis encompasses scenarios where the source and the target domain are related via i) a bounded density ratio, and ii) a measure-preserving transformation. Our proposed methodologies are computationally efficient and easy to implement. Beyond illustrating the performance of our method through real-world datasets, we also delve into the theoretical details. This includes establishing rigorous theoretical guarantees, coupled with finite sample bounds, regarding the coverage and width of our prediction intervals. Our approach excels in practical applications and is underpinned by a solid theoretical framework, ensuring its reliability and effectiveness across diverse contexts.
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In this work, we empirically confirm that the key reason causing such an issue is that the training images are usually paired with short captions, leaving certain tokens easily overshadowed by salient tokens. Towards this problem, our initial attempt is to relabel the data with long captions, however, directly learning with which may lead to performance degradation in understanding short text (e.g., in the image classification task). Then, after incorporating corner tokens to aggregate diverse textual information, we manage to help the model catch up to its original level of short text understanding yet greatly enhance its capability of long text understanding. We further look into whether the model can continuously benefit from longer captions and notice a clear trade-off between the performance and the efficiency. Finally, we validate the effectiveness of our approach using a self-constructed large-scale dataset, which consists of 100M long caption oriented text-image pairs. It is noteworthy that, on the task of long-text image retrieval, we beat the competitor using long captions with 11.1% improvement (i.e., from 72.62% to 83.72%). The project page is available at https://wuw2019.github.io/lot-lip.
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Cross-domain few-shot segmentation (CD-FSS) is proposed to first pre-train the model on a large-scale source-domain dataset, and then transfer the model to data-scarce target-domain datasets for pixel-level segmentation. The significant domain gap between the source and target datasets leads to a sharp decline in the performance of existing few-shot segmentation (FSS) methods in cross-domain scenarios. In this work, we discover an intriguing phenomenon: simply filtering different frequency components for target domains can lead to a significant performance improvement, sometimes even as high as 14% mIoU. Then, we delve into this phenomenon for an interpretation, and find such improvements stem from the reduced inter-channel correlation in feature maps, which benefits CD-FSS with enhanced robustness against domain gaps and larger activated regions for segmentation. Based on this, we propose a lightweight frequency masker, which further reduces channel correlations by an Amplitude-Phase Masker (APM) module and an Adaptive Channel Phase Attention (ACPA) module. Notably, APM introduces only 0.01% additional parameters but improves the average performance by over 10%, and ACPA imports only 2.5% parameters but further improves the performance by over 1.5%, which significantly surpasses the state-of-the-art CD-FSS methods.
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Recent advancements in text-to-image (T2I) models have greatly benefited from large-scale datasets, but they also pose significant risks due to the potential generation of unsafe content. To mitigate this issue, researchers proposed unlearning techniques that attempt to induce the model to unlearn potentially harmful prompts. However, these methods are easily bypassed by adversarial attacks, making them unreliable for ensuring the safety of generated images. In this paper, we propose Direct Unlearning Optimization (DUO), a novel framework for removing NSFW content from T2I models while preserving their performance on unrelated topics. DUO employs a preference optimization approach using curated paired image data, ensuring that the model learns to remove unsafe visual concepts while retain unrelated features. Furthermore, we introduce an output-preserving regularization term to maintain the model's generative capabilities on safe content. Extensive experiments demonstrate that DUO can robustly defend against various state-of-the-art red teaming methods without significant performance degradation on unrelated topics, as measured by FID and CLIP scores. Our work contributes to the development of safer and more reliable T2I models, paving the way for their responsible deployment in both closed-source and open-source scenarios.
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Protein optimization is a fundamental biological task aimed at enhancing theperformance of proteins by modifying their sequences. Computational methodsprimarily rely on evolutionary information (EI) encoded by protein languagemodels (PLMs) to predict fitness landscape for optimization. However, thesemethods suffer from a few limitations. (1) Evolutionary processes involve thesimultaneous consideration of multiple functional properties, often overshadowingthe specific property of interest. (2) Measurements of these properties tend to betailored to experimental conditions, leading to reduced generalizability of trainedmodels to novel proteins. To address these limitations, we introduce DenoisingProtein Language Models (DePLM), a novel approach that refines the evolutionaryinformation embodied in PLMs for improved protein optimization. Specifically, weconceptualize EI as comprising both property-relevant and irrelevant information,with the latter acting as “noise” for the optimization task at hand. Our approachinvolves denoising this EI in PLMs through a diffusion process conducted in therank space of property values, thereby enhancing model generalization and ensuringdataset-agnostic learning. Extensive experimental results have demonstrated thatDePLM not only surpasses the state-of-the-art in mutation effect prediction butalso exhibits strong generalization capabilities for novel proteins.
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Shape from polarization (SfP) benefits from advancements like polarization cameras for single-shot normal estimation, but its performance heavily relies on light conditions. This paper proposes SfPUEL, an end-to-end SfP method to jointly estimate surface normal and material under unknown environment light. To handle this challenging light condition, we design a transformer-based framework for enhancing the perception of global context features. We further propose to integrate photometric stereo (PS) priors from pretrained models to enrich extracted features for high-quality normal predictions. As metallic and dielectric materials exhibit different BRDFs, SfPUEL additionally predicts dielectric and metallic material segmentation to further boost performance. Experimental results on synthetic and our collected real-world dataset demonstrate that SfPUEL significantly outperforms existing SfP and single-shot normal estimation methods. The code and dataset is available at https://github.com/YouweiLyu/SfPUEL.
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Recent advancements in 3D generation have leveraged synthetic datasets with ground truth 3D assets and predefined camera trajectories. However, the potential of adopting real-world datasets, which can produce significantly more realistic 3D scenes, remains largely unexplored. In this work, we delve into the key challenge of the complex and scene-specific camera trajectories found in real-world captures. We introduce Director3D, a robust open-world text-to-3D generation framework, designed to generate both real-world 3D scenes and adaptive camera trajectories. To achieve this, (1) we first utilize a Trajectory Diffusion Transformer, acting as the \emph{Cinematographer}, to model the distribution of camera trajectories based on textual descriptions. Next, a Gaussian-driven Multi-view Latent Diffusion Model serves as the \emph{Decorator}, modeling the image sequence distribution given the camera trajectories and texts. This model, fine-tuned from a 2D diffusion model, directly generates pixel-aligned 3D Gaussians as an immediate 3D scene representation for consistent denoising. Lastly, the 3D Gaussians are further refined by a novel SDS++ loss as the \emph{Detailer}, which incorporates the prior of the 2D diffusion model. Extensive experiments demonstrate that Director3D outperforms existing methods, offering superior performance in real-world 3D generation.
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Bayes' rule naturally allows for inference refinement in a streaming fashion, without the need to recompute posteriors from scratch whenever new data arrives. In principle, Bayesian streaming is straightforward: we update our prior with the available data and use the resulting posterior as a prior when processing the next data chunk. In practice, however, this recipe entails i) approximating an intractable posterior at each time step; and ii) encapsulating results appropriately to allow for posterior propagation. For continuous state spaces, variational inference (VI) is particularly convenient due to its scalability and the tractability of variational posteriors, For discrete state spaces, however, state-of-the-art VI results in analytically intractable approximations that are ill-suited for streaming settings. To enable streaming Bayesian inference over discrete parameter spaces, we propose streaming Bayes GFlowNets (abbreviated as SB-GFlowNets) by leveraging the recently proposed GFlowNets --- a powerful class of amortized samplers for discrete compositional objects. Notably, SB-GFlowNet approximates the initial posterior using a standard GFlowNet and subsequently updates it using a tailored procedure that requires only the newly observed data. Our case studies in linear preference learning and phylogenetic inference showcase the effectiveness of SB-GFlowNets in sampling from an unnormalized posterior in a streaming setting. As expected, we also observe that SB-GFlowNets is significantly faster than repeatedly training a GFlowNet from scratch to sample from the full posterior.
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In online Inverse Reinforcement Learning (IRL), the learner can collect samples about the dynamics of the environment to improve its estimate of the reward function. Since IRL suffers from identifiability issues, many theoretical works on online IRL focus on estimating the entire set of rewards that explain the demonstrations, named the *feasible reward set*. However, none of the algorithms available in literature can scale to problems with large state spaces. In this paper, we focus on the online IRL problem in Linear Markov Decision Processes (MDPs). We show that the structure offered by Linear MDPs is not sufficient for efficiently estimating the feasible set when the state space is large. As a consequence, we introduce the novel framework of *rewards compatibility*, which generalizes the notion of feasible set, and we develop CATY-IRL, a sample efficient algorithm whose complexity is independent of the size of the state space in Linear MDPs. When restricted to the tabular setting, we demonstrate that CATY-IRL is minimax optimal up to logarithmic factors. As a by-product, we show that Reward-Free Exploration (RFE) enjoys the same worst-case rate, improving over the state-of-the-art lower bound. Finally, we devise a unifying framework for IRL and RFE that may be of independent interest.
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One of the fundamental challenges for offline reinforcement learning (RL) is ensuring robustness to data distribution. Whether the data originates from a near-optimal policy or not, we anticipate that an algorithm should demonstrate its ability to learn an effective control policy that seamlessly aligns with the inherent distribution of offline data. Unfortunately, behavior regularization, a simple yet effective offline RL algorithm, tends to struggle in this regard. In this paper, we propose a new algorithm that substantially enhances behavior-regularization based on conservative policy iteration. Our key observation is that by iteratively refining the reference policy used for behavior regularization, conservative policy update guarantees gradually improvement, while also implicitly avoiding querying out-of-sample actions to prevent catastrophic learning failures. We prove that in the tabular setting this algorithm is capable of learning the optimal policy covered by the offline dataset, commonly referred to as the in-sample optimal policy. We then explore several implementation details of the algorithm when function approximations are applied. The resulting algorithm is easy to implement, requiring only a few lines of code modification to existing methods. Experimental results on the D4RL benchmark indicate that our method outperforms previous state-of-the-art baselines in most tasks, clearly demonstrate its superiority over behavior regularization.
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The state-of-the-art approximate nearest neighbor search (ANNS) algorithm builds a large proximity graph on the dataset and performs a greedy beam search, which may bring many unnecessary explorations. We develop a novel framework, namely *corssing sparse proximity graph (CSPG)*, based on random partitioning of the dataset. It produces a smaller sparse proximity graph for each partition and routing vectors that bind all the partitions. An efficient two-staged approach is designed for exploring *CSPG*, with fast approaching and cross-partition expansion. We theoretically prove that *CSPG* can accelerate the existing graph-based ANNS algorithms by reducing unnecessary explorations. In addition, we conduct extensive experiments on benchmark datasets. The experimental results confirm that the existing graph-based methods can be significantly outperformed by incorporating *CSPG*, achieving 1.5x to 2x speedups of *QPS* in almost all recalls.
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The shift in dynamics results in significant performance degradation of policies trained in the source domain when deployed in a different target domain, posing a challenge for the practical application of reinforcement learning (RL) in real-world scenarios. Domain transfer methods aim to bridge this dynamics gap through techniques such as domain adaptation or domain calibration. While domain adaptation involves refining the policy through extensive interactions in the target domain, it may not be feasible for sensitive fields like healthcare and autonomous driving. On the other hand, offline domain calibration utilizes only static data from the target domain to adjust the physics parameters of the source domain (e.g., a simulator) to align with the target dynamics, enabling the direct deployment of the trained policy without sacrificing performance, which emerges as the most promising for policy deployment. However, existing techniques primarily rely on evolution algorithms for calibration, resulting in low sample efficiency. To tackle this issue, we propose a novel framework Madoc (\textbf{M}ulti-\textbf{a}gent \textbf{do}main \textbf{c}alibration). Firstly, we formulate a bandit RL objective to match the target trajectory distribution by learning a couple of classifiers. We then address the challenge of a large domain parameter space by modeling domain calibration as a cooperative multi-agent reinforcement learning (MARL) problem. Specifically, we utilize a Variational Autoencoder (VAE) to automatically cluster physics parameters with similar effects on the dynamics, grouping them into distinct agents. These grouped agents train calibration policies coordinately to adjust multiple parameters using MARL. Our empirical evaluation on 21 offline locomotion tasks in D4RL and NeoRL benchmarks showcases the superior performance of our method compared to strong existing offline model-based RL, offline domain calibration, and hybrid offline-and-online RL baselines.
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Current adversarial attacks for multi-class classifiers choose potential adversarial target classes naively based on the classifier's confidence levels. We present a novel adversarial targeting method, \textit{MALT - Mesoscopic Almost Linearity Targeting}, based on local almost linearity assumptions. Our attack wins over the current state of the art AutoAttack on the standard benchmark datasets CIFAR-100 and Imagenet and for different robust models. In particular, our attack uses a \emph{five times faster} attack strategy than AutoAttack's while successfully matching AutoAttack's successes and attacking additional samples that were previously out of reach. We additionally prove formally and demonstrate empirically that our targeting method, although inspired by linear predictors, also applies to non-linear models.
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Generative Flow Networks (GFlowNets) are amortized samplers of unnormalized distributions over compositional objects with applications to causal discovery, NLP, and drug design. Recently, it was shown that GFlowNets can be framed as a hierarchical variational inference (HVI) method for discrete distributions. Despite this equivalence, attempts to train GFlowNets using traditional divergence measures as learning objectives were unsuccessful. Instead, current approaches for training these models rely on minimizing the log-squared difference between a proposal (forward policy) and a target (backward policy) distributions. In this work, we first formally extend the relationship between GFlowNets and HVI to distributions on arbitrary measurable topological spaces. Then, we empirically show that the ineffectiveness of divergence-based learning of GFlowNets is due to large gradient variance of the corresponding stochastic objectives. To address this issue, we devise a collection of provably variance-reducing control variates for gradient estimation based on the REINFORCE leave-one-out estimator. Our experimental results suggest that the resulting algorithms often accelerate training convergence when compared against previous approaches. All in all, our work contributes by narrowing the gap between GFlowNet training and HVI, paving the way for algorithmic advancements inspired by the divergence minimization viewpoint.
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Continuous normalizing flows (CNFs) learn the probability path between a reference distribution and a target distribution by modeling the vector field generating said path using neural networks. Recently, Lipman et al. (2022) introduced a simple and inexpensive method for training CNFs in generative modeling, termed flow matching (FM). In this paper, we repurpose this method for probabilistic inference by incorporating Markovian sampling methods in evaluating the FM objective, and using the learned CNF to improve Monte Carlo sampling. Specifically, we propose an adaptive Markov chain Monte Carlo (MCMC) algorithm, which combines a local Markov transition kernel with a non-local, flow-informed transition kernel, defined using a CNF. This CNF is adapted on-the-fly using samples from the Markov chain, which are used to specify the probability path for the FM objective. Our method also includes an adaptive tempering mechanism that allows the discovery of multiple modes in the target distribution. Under mild assumptions, we establish convergence of our method to a local optimum of the FM objective. We then benchmark our approach on several synthetic and real-world examples, achieving similar performance to other state-of-the-art methods but often at a significantly lower computational cost.
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Long-horizon robotic manipulation tasks typically involve a series of interrelated sub-tasks spanning multiple execution stages. Skill chaining offers a feasible solution for these tasks by pre-training the skills for each sub-task and linking them sequentially. However, imperfections in skill learning or disturbances during execution can lead to the accumulation of errors in skill chaining process, resulting in execution failures. In this paper, we investigate how to achieve stable and smooth skill chaining for long-horizon robotic manipulation tasks. Specifically, we propose a novel skill chaining framework called Skill Chaining via Dual Regularization (SCaR). This framework applies dual regularization to sub-task skill pre-training and fine-tuning, which not only enhances the intra-skill dependencies within each sub-task skill but also reinforces the inter-skill dependencies between sequential sub-task skills, thus ensuring smooth skill chaining and stable long-horizon execution. We evaluate the SCaR framework on two representative long-horizon robotic manipulation simulation benchmarks: IKEA furniture assembly and kitchen organization. Additionally, we conduct a simple real-world validation in tabletop robot pick-and-place tasks. The experimental results show that, with the support of SCaR, the robot achieves a higher success rate in long-horizon tasks compared to relevant baselines and demonstrates greater robustness to perturbations.
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Revealing the underlying causal mechanisms in the real world is the key to the development of science. Despite the progress in the past decades, traditional causal discovery approaches (CDs) mainly rely on high-quality measured variables, usually given by human experts, to find causal relations. The lack of well-defined high-level variables in many real-world applications has already been a longstanding roadblock to a broader application of CDs. To this end, this paper presents Causal representatiOn AssistanT (COAT) that introduces large language models (LLMs) to bridge the gap. LLMs are trained on massive observations of the world and have demonstrated great capability in extracting key information from unstructured data. Therefore, it is natural to employ LLMs to assist with proposing useful high-level factors and crafting their measurements. Meanwhile, COAT also adopts CDs to find causal relations among the identified variables as well as to provide feedback to LLMs to iteratively refine the proposed factors. We show that LLMs and CDs are mutually beneficial and the constructed feedback provably also helps with the factor proposal. We construct and curate several synthetic and real-world benchmarks including analysis of human reviews and diagnosis of neuropathic and brain tumors, to comprehensively evaluate COAT. Extensive empirical results confirm the effectiveness and reliability of COAT with significant improvements.
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Integrating pretrained vision-language foundation models like CLIP into federated learning has attracted significant attention for enhancing generalization across diverse tasks. Typically, federated learning of vision-language models employs prompt learning to reduce communication and computational costs, i.e., prompt-based federated learning. However, there is limited theoretical analysis to understand the performance of prompt-based federated learning. In this work, we construct a theoretical analysis framework for prompt-based federated learning via feature learning theory. Specifically, we monitor the evolution of signal learning and noise memorization in prompt-based federated learning, demonstrating that performance can be assessed by the ratio of task-relevant to task-irrelevant coefficients. Furthermore, we draw an analogy between income and risk in portfolio optimization and the task-relevant and task-irrelevant terms in feature learning. Leveraging inspiration from portfolio optimization that combining two independent assets will maintain the income while reducing the risk, we introduce two prompts: global prompt and local prompt to construct a prompt portfolio to balance the generalization and personalization. Consequently, we showed the performance advantage of the prompt portfolio and derived the optimal mixing coefficient. These theoretical claims have been further supported by empirical experiments.
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The Normalized cut (NCut) problem is a fundamental and yet notoriously difficult one in the unsupervised clustering field. Because the NCut problem is fractionally structured, the fractional programming (FP) based approach has worked its way into a new frontier. However, the conventional FP techniques are insufficient: the classic Dinkelbach's transform can only deal with a single ratio and hence is limited to the two-class clustering, while the state-of-the-art quadratic transform accounts for multiple ratios but fails to convert the NCut problem to a tractable form. This work advocates a novel extension of the quadratic transform to the multidimensional ratio case, thereby recasting the fractional 0-1 NCut problem into a bipartite matching problem---which can be readily solved in an iterative manner. Furthermore, we explore the connection between the proposed multidimensional FP method and the minorization-maximization theory to verify the convergence.
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Human life is populated with articulated objects. Pose estimation for category-level articulated objects is a significant challenge due to their inherent complexity and diverse kinematic structures. Current methods for this task usually meet the problems of insufficient consideration of kinematic constraints, self-occlusion, and optimization requirements. In this paper, we propose EfficientCAPER, an end-to-end Category-level Articulated object Pose EstimatoR, eliminating the need for optimization functions as post-processing and utilizing the kinematic structure for joint-centric pose modeling, thus enhancing the efficiency and applicability. Given a partial point cloud as input, the EfficientCAPER firstly estimates the pose for the free part of an articulated object using decoupled rotation representation. Next, we canonicalize the input point cloud to estimate constrained parts' poses by predicting the joint parameters and states as replacements. Evaluations on three diverse datasets, ArtImage, ReArtMix, and RobotArm, show EfficientCAPER's effectiveness and generalization ability to real-world scenarios. The framework exhibits excellent static pose estimation performance for articulated objects, contributing to the advancement of category-level pose estimation. Codes will be made publicly available.
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Deep neural networks (DNNs) have recently achieved remarkable advancements in time series forecasting (TSF) due to their powerful ability of sequence dependence modeling. To date, existing DNN-based TSF methods still suffer from unreliable predictions for real-world data due to its non-stationarity characteristics, i.e., data distribution varies quickly over time. To mitigate this issue, several normalization methods (e.g., SAN) have recently been specifically designed by normalization in a fixed period/window in the time domain. However, these methods still struggle to capture distribution variations, due to the complex time patterns of time series in the time domain. Based on the fact that wavelet transform can decompose time series into a linear combination of different frequencies, which exhibits distribution variations with time-varying periods, we propose a novel Dual-domain Dynamic Normalization (DDN) to dynamically capture distribution variations in both time and frequency domains. Specifically, our DDN tries to eliminate the non-stationarity of time series via both frequency and time domain normalization in a sliding window way. Besides, our DDN can serve as a plug-in-play module, and thus can be easily incorporated into other forecasting models. Extensive experiments on public benchmark datasets under different forecasting models demonstrate the superiority of our DDN over other normalization methods. Code will be made available following the review process.
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We propose a novel inference technique based on a pretrained diffusion model for text-conditional video generation. Our approach, called FIFO-Diffusion, is conceptually capable of generating infinitely long videos without additional training. This is achieved by iteratively performing diagonal denoising, which simultaneously processes a series of consecutive frames with increasing noise levels in a queue; our method dequeues a fully denoised frame at the head while enqueuing a new random noise frame at the tail. However, diagonal denoising is a double-edged sword as the frames near the tail can take advantage of cleaner frames by forward reference but such a strategy induces the discrepancy between training and inference. Hence, we introduce latent partitioning to reduce the training-inference gap and lookahead denoising to leverage the benefit of forward referencing. Practically, FIFO-Diffusion consumes a constant amount of memory regardless of the target video length given a baseline model, while well-suited for parallel inference on multiple GPUs. We have demonstrated the promising results and effectiveness of the proposed methods on existing text-to-video generation baselines. Generated video examples and source codes are available at our project page.
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We consider distributed learning scenarios where $M$ machines interact with a parameter server along several communication rounds in order to minimize a joint objective function. Focusing on the heterogeneous case, where different machines may draw samples from different data-distributions, we design the first local update method that provably benefits over the two most prominent distributed baselines: namely Minibatch-SGD and Local-SGD. Key to our approach is a slow querying technique that we customize to the distributed setting, which in turn enables a better mitigation of the bias caused by local updates.
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No-Reference Point Cloud Quality Assessment (NR-PCQA) aims to objectively assess the human perceptual quality of point clouds without relying on pristine-quality point clouds for reference. It is becoming increasingly significant with the rapid advancement of immersive media applications such as virtual reality (VR) and augmented reality (AR). However, current NR-PCQA models attempt to indiscriminately learn point cloud content and distortion representations within a single network, overlooking their distinct contributions to quality information. To address this issue, we propose DisPA, a novel disentangled representation learning framework for NR-PCQA. The framework trains a dual-branch disentanglement network to minimize mutual information (MI) between representations of point cloud content and distortion. Specifically, to fully disentangle representations, the two branches adopt different philosophies: the content-aware encoder is pretrained by a masked auto-encoding strategy, which can allow the encoder to capture semantic information from rendered images of distorted point clouds; the distortion-aware encoder takes a mini-patch map as input, which forces the encoder to focus on low-level distortion patterns. Furthermore, we utilize an MI estimator to estimate the tight upper bound of the actual MI and further minimize it to achieve explicit representation disentanglement. Extensive experimental results demonstrate that DisPA outperforms state-of-the-art methods on multiple PCQA datasets.
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Recent studies have demonstrated the exceptional potentials of leveraging human preference datasets to refine text-to-image generative models, enhancing the alignment between generated images and textual prompts. Despite these advances, current human preference datasets are either prohibitively expensive to construct or suffer from a lack of diversity in preference dimensions, resulting in limited applicability for instruction tuning in open-source text-to-image generative models and hinder further exploration. To address these challenges and promote the alignment of generative models through instruction tuning, we leverage multimodal large language models to create VisionPrefer, a high-quality and fine-grained preference dataset that captures multiple preference aspects. We aggregate feedback from AI annotators across four aspects: prompt-following, aesthetic, fidelity, and harmlessness to construct VisionPrefer. To validate the effectiveness of VisionPrefer, we train a reward model VP-Score over VisionPrefer to guide the training of text-to-image generative models and the preference prediction accuracy of VP-Score is comparable to human annotators. Furthermore, we use two reinforcement learning methods to supervised fine-tune generative models to evaluate the performance of VisionPrefer, and extensive experimental results demonstrate that VisionPrefer significantly improves text-image alignment in compositional image generation across diverse aspects, e.g., aesthetic, and generalizes better than previous human-preference metrics across various image distributions. Moreover, VisionPrefer indicates that the integration of AI-generated synthetic data as a supervisory signal is a promising avenue for achieving improved alignment with human preferences in vision generative models.
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Zero- and few-shot visual anomaly segmentation relies on powerful vision-language models that detect unseen anomalies using manually designed textual prompts. However, visual representations are inherently independent of language. In this paper, we explore the potential of a pure visual foundation model as an alternative to widely used vision-language models for universal visual anomaly segmentation. We present a novel paradigm that unifies anomaly segmentation into change segmentation. This paradigm enables us to leverage large-scale synthetic image pairs, featuring object-level and local region changes, derived from existing image datasets, which are independent of target anomaly datasets. We propose a one-prompt Meta-learning framework for Universal Anomaly Segmentation (MetaUAS) that is trained on this synthetic dataset and then generalizes well to segment any novel or unseen visual anomalies in the real world. To handle geometrical variations between prompt and query images, we propose a soft feature alignment module that bridges paired-image change perception and single-image semantic segmentation. This is the first work to achieve universal anomaly segmentation using a pure vision model without relying on special anomaly detection datasets and pre-trained visual-language models. Our method effectively and efficiently segments any anomalies with only one normal image prompt and enjoys training-free without guidance from language. Our MetaUAS significantly outperforms previous zero-shot, few-shot, and even full-shot anomaly segmentation methods. Code and Models: https://github.com/gaobb/MetaUAS.
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Motion generation from discrete quantization offers many advantages over continuous regression, but at the cost of inevitable approximation errors. Previous methods usually quantize the entire body pose into one code, which not only faces the difficulty in encoding all joints within one vector but also loses the spatial relationship between different joints. Differently, in this work we quantize each individual joint into one vector, which i) simplifies the quantization process as the complexity associated with a single joint is markedly lower than that of the entire pose; ii) maintains a spatial-temporal structure that preserves both the spatial relationships among joints and the temporal movement patterns; iii) yields a 2D token map, which enables the application of various 2D operations widely used in 2D images. Grounded in the 2D motion quantization, we build a spatial-temporal modeling framework, where 2D joint VQVAE, temporal-spatial 2D masking technique, and spatial-temporal 2D attention are proposed to take advantage of spatial-temporal signals among the 2D tokens. Extensive experiments demonstrate that our method significantly outperforms previous methods across different datasets, with a $26.6\%$ decrease of FID on HumanML3D and a $29.9\%$ decrease on KIT-ML.
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In label-noise learning, the noise transition matrix reveals how an instance transitions from its clean label to its noisy label. Accurately estimating an instance's noise transition matrix is crucial for estimating its clean label. However, when only a noisy dataset is available, noise transition matrices can be estimated only for some "special" instances. To leverage these estimated transition matrices to help estimate the transition matrices of other instances, it is essential to explore relations between the matrices of these "special" instances and those of others. Existing studies typically build the relation by explicitly defining the similarity between the estimated noise transition matrices of "special" instances and those of other instances. However, these similarity-based assumptions are hard to validate and may not align with real-world data. If these assumptions fail, both noise transition matrices and clean labels cannot be accurately estimated. In this paper, we found that by learning the latent causal structure governing the generating process of noisy data, we can estimate noise transition matrices without the need for similarity-based assumptions. Unlike previous generative label-noise learning methods, we consider causal relations between latent causal variables and model them with a learnable graphical model. Utilizing only noisy data, our method can effectively learn the latent causal structure. Experimental results on various noisy datasets demonstrate that our method achieves state-of-the-art performance in estimating noise transition matrices, which leads to improved classification accuracy. The code is available at: https://github.com/tmllab/2024_NeurIPS_CSGN.
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This paper explores the realm of infinite horizon average reward Constrained Markov Decision Processes (CMDPs). To the best of our knowledge, this work is the first to delve into the regret and constraint violation analysis of average reward CMDPs with a general policy parametrization. To address this challenge, we propose a primal dual-based policy gradient algorithm that adeptly manages the constraints while ensuring a low regret guarantee toward achieving a global optimal policy. In particular, our proposed algorithm achieves $\tilde{\mathcal{O}}({T}^{4/5})$ objective regret and $\tilde{\mathcal{O}}({T}^{4/5})$ constraint violation bounds.
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Despite the widespread adoption of Graph Neural Networks (GNNs), these models often incorporate off-the-shelf normalization layers like BatchNorm or InstanceNorm, which were not originally designed for GNNs. Consequently, these normalization layers may not effectively capture the unique characteristics of graph-structured data, potentially even weakening the expressive power of the overall architecture. While existing graph-specific normalization layers have been proposed, they often struggle to offer substantial and consistent benefits. In this paper, we propose GRANOLA, a novel graph-adaptive normalization layer. Unlike existing normalization layers, GRANOLA normalizes node features by adapting to the specific characteristics of the graph, particularly by generating expressive representations of its nodes, obtained by leveraging the propagation of Random Node Features (RNF) in the graph. We provide theoretical results that support our design choices as well as an extensive empirical evaluation demonstrating the superior performance of GRANOLA over existing normalization techniques. Furthermore, GRANOLA emerges as the top-performing method among all baselines in the same time complexity class of Message Passing Neural Networks (MPNNs).
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While humans effortlessly discern intrinsic dynamics and adapt to new scenarios, modern AI systems often struggle. Current methods for visual grounding of dynamics either use pure neural-network-based simulators (black box), which may violate physical laws, or traditional physical simulators (white box), which rely on expert-defined equations that may not fully capture actual dynamics. We propose the Neural Material Adaptor (NeuMA), which integrates existing physical laws with learned corrections, facilitating accurate learning of actual dynamics while maintaining the generalizability and interpretability of physical priors. Additionally, we propose Particle-GS, a particle-driven 3D Gaussian Splatting variant that bridges simulation and observed images, allowing back-propagate image gradients to optimize the simulator. Comprehensive experiments on various dynamics in terms of grounded particle accuracy, dynamic rendering quality, and generalization ability demonstrate that NeuMA can accurately capture intrinsic dynamics. Project Page: https://xjay18.github.io/projects/neuma.html.
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We investigate bandit convex optimization (BCO) with delayed feedback, where only the loss value of the action is revealed under an arbitrary delay. Let $n,T,\bar{d}$ denote the dimensionality, time horizon, and average delay, respectively. Previous studies have achieved an $O(\sqrt{n}T^{3/4}+(n\bar{d})^{1/3}T^{2/3})$ regret bound for this problem, whose delay-independent part matches the regret of the classical non-delayed bandit gradient descent algorithm. However, there is a large gap between its delay-dependent part, i.e., $O((n\bar{d})^{1/3}T^{2/3})$, and an existing $\Omega(\sqrt{\bar{d}T})$ lower bound. In this paper, we illustrate that this gap can be filled in the worst case, where $\bar{d}$ is very close to the maximum delay $d$. Specifically, we first develop a novel algorithm, and prove that it enjoys a regret bound of $O(\sqrt{n}T^{3/4}+\sqrt{dT})$ in general. Compared with the previous result, our regret bound is better for $d=O((n\bar{d})^{2/3}T^{1/3})$, and the delay-dependent part is tight in the worst case. The primary idea is to decouple the joint effect of the delays and the bandit feedback on the regret by carefully incorporating the delayed bandit feedback with a blocking update mechanism. Furthermore, we show that the proposed algorithm can improve the regret bound to $O((nT)^{2/3}\log^{1/3}T+d\log T)$ for strongly convex functions. Finally, if the action sets are unconstrained, we demonstrate that it can be simply extended to achieve an $O(n\sqrt{T\log T}+d\log T)$ regret bound for strongly convex and smooth functions.
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We consider a constrained Markov Decision Problem (CMDP) where the goal of an agent is to maximize the expected discounted sum of rewards over an infinite horizon while ensuring that the expected discounted sum of costs exceeds a certain threshold. Building on the idea of momentum-based acceleration, we develop the Primal-Dual Accelerated Natural Policy Gradient (PD-ANPG) algorithm that ensures an $\epsilon$ global optimality gap and $\epsilon$ constraint violation with $\tilde{\mathcal{O}}((1-\gamma)^{-7}\epsilon^{-2})$ sample complexity for general parameterized policies where $\gamma$ denotes the discount factor. This improves the state-of-the-art sample complexity in general parameterized CMDPs by a factor of $\mathcal{O}((1-\gamma)^{-1}\epsilon^{-2})$ and achieves the theoretical lower bound in $\epsilon^{-1}$.
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The CLIP network excels in various tasks, but struggles with text-visual images i.e., images that contain both text and visual objects; it risks confusing textual and visual representations. To address this issue, we propose MirrorCLIP, a zero-shot framework, which disentangles the image features of CLIP by exploiting the difference in the mirror effect between visual objects and text in the images. Specifically, MirrorCLIP takes both original and flipped images as inputs, comparing their features dimension-wise in the latent space to generate disentangling masks. With disentangling masks, we further design filters to separate textual and visual factors more precisely, and then get disentangled representations. Qualitative experiments using stable diffusion models and class activation mapping (CAM) validate the effectiveness of our disentanglement. Moreover, our proposed MirrorCLIP reduces confusion when encountering text-visual images and achieves a substantial improvement on typographic defense, further demonstrating its superior ability of disentanglement. Our code is available at https://github.com/tcwangbuaa/MirrorCLIP
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Graph neural networks (GNNs) have become the dominant solution for learning on graphs, the typical non-Euclidean structures. Conventional GNNs, constructed with the Artificial Neuron Network (ANN), have achieved impressive performance at the cost of high computation and energy consumption. In parallel, spiking GNNs with brain-like spiking neurons are drawing increasing research attention owing to the energy efficiency. So far, existing spiking GNNs consider graphs in Euclidean space, ignoring the structural geometry, and suffer from the high latency issue due to Back-Propagation-Through-Time (BPTT) with the surrogate gradient. In light of the aforementioned issues, we are devoted to exploring spiking GNN on Riemannian manifolds, and present a Manifold-valued Spiking GNN (MSG). In particular, we design a new spiking neuron on geodesically complete manifolds with the diffeomorphism, so that BPTT regarding the spikes is replaced by the proposed differentiation via manifold. Theoretically, we show that MSG approximates a solver of the manifold ordinary differential equation. Extensive experiments on common graphs show the proposed MSG achieves superior performance to previous spiking GNNs and energy efficiency to conventional GNNs.
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To use artificial intelligence and machine learning models wisely we must understand how they interact with the world, including how they depend causally on data inputs. In this work we develop Causal Dependence Plots (CDPs) to visualize how a model's predicted outcome depends on changes in a given predictor *along with consequent causal changes in other predictor variables*. Crucially, this differs from standard methods based on independence or holding other predictors constant, such as regression coefficients or Partial Dependence Plots (PDPs). Our explanatory framework generalizes PDPs, including them as a special case, as well as a variety of other interpretive plots that show, for example, the total, direct, and indirect effects of causal mediation. We demonstrate with simulations and real data experiments how CDPs can be combined in a modular way with methods for causal learning or sensitivity analysis. Since people often think causally about input-output dependence, CDPs can be powerful tools in the xAI or interpretable machine learning toolkit and contribute to applications like scientific machine learning and algorithmic fairness.
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The Fisher information matrix can be used to characterize the local geometry of the parameter space of neural networks. It elucidates insightful theories and useful tools to understand and optimize neural networks. Given its high computational cost, practitioners often use random estimators and evaluate only the diagonal entries. We examine two popular estimators whose accuracy and sample complexity depend on their associated variances. We derive bounds of the variances and instantiate them in neural networks for regression and classification. We navigate trade-offs for both estimators based on analytical and numerical studies. We find that the variance quantities depend on the non-linearity w.r.t. different parameter groups and should not be neglected when estimating the Fisher information.
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Sharpness-aware minimization (SAM) improves generalization of various deep learning tasks. Motivated by popular architectures such as LoRA, we explore the implicit regularization of SAM for scale-invariant problems involving two groups of variables. Instead of focusing on commonly used sharpness, this work introduces a concept termed *balancedness*, defined as the difference between the squared norm of two variables. This allows us to depict richer global behaviors of SAM. In particular, our theoretical and empirical findings reveal that i) SAM promotes balancedness; and ii) the regularization on balancedness is *data-responsive* -- outliers have stronger impact. The latter coincides with empirical observations that SAM outperforms SGD in the presence of outliers. Leveraging the implicit regularization, we develop a resource-efficient SAM variant, balancedness-aware regularization (BAR), tailored for scale-invariant problems such as finetuning language models with LoRA. BAR saves 95% computational overhead of SAM, with enhanced test performance across various tasks on RoBERTa, GPT2, and OPT-1.3B.
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Continual Pre-Training (CPT) on Large Language Models (LLMs) has been widely used to expand the model’s fundamental understanding of specific downstream domains (e.g., math and code). For the CPT on domain-specific LLMs, one important question is how to choose the optimal mixture ratio between the general-corpus (e.g., Dolma, Slim-pajama) and the downstream domain-corpus. Existing methods usually adopt laborious human efforts by grid-searching on a set of mixture ratios, which require high GPU training consumption costs. Besides, we cannot guarantee the selected ratio is optimal for the specific domain. To address the limitations of existing methods, inspired by the Scaling Law for performance prediction, we propose to investigate the Scaling Law of the Domain-specific Continual Pre-Training (D-CPT Law) to decide the optimal mixture ratio with acceptable training costs for LLMs of different sizes. Specifically, by fitting the D-CPT Law, we can easily predict the general and downstream performance of arbitrary mixture ratios, model sizes, and dataset sizes using small-scale training costs on limited experiments. Moreover, we also extend our standard D-CPT Law on cross-domain settings and propose the Cross-Domain D-CPT Law to predict the D-CPT law of target domains, where very small training costs (about 1\% of the normal training costs) are needed for the target domains. Comprehensive experimental results on six downstream domains demonstrate the effectiveness and generalizability of our proposed D-CPT Law and Cross-Domain D-CPT Law.
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Bilevel optimization has gained prominence in various applications. In this study, we introduce a framework for solving bilevel optimization problems, where the variables in both the lower and upper levels are constrained on Riemannian manifolds. We present several hypergradient estimation strategies on manifolds and analyze their estimation errors. Furthermore, we provide comprehensive convergence and complexity analyses for the proposed hypergradient descent algorithm on manifolds. We also extend our framework to encompass stochastic bilevel optimization and incorporate the use of general retraction. The efficacy of the proposed framework is demonstrated through several applications.
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The softmax gating function is arguably the most popular choice in mixture of experts modeling. Despite its widespread use in practice, the softmax gating may lead to unnecessary competition among experts, potentially causing the undesirable phenomenon of representation collapse due to its inherent structure. In response, the sigmoid gating function has been recently proposed as an alternative and has been demonstrated empirically to achieve superior performance. However, a rigorous examination of the sigmoid gating function is lacking in current literature. In this paper, we verify theoretically that the sigmoid gating, in fact, enjoys a higher sample efficiency than the softmax gating for the statistical task of expert estimation. Towards that goal, we consider a regression framework in which the unknown regression function is modeled as a mixture of experts, and study the rates of convergence of the least squares estimator under the over-specified case in which the number of fitted experts is larger than the true value. We show that two gating regimes naturally arise and, in each of them, we formulate an identifiability condition for the expert functions and derive the corresponding convergence rates. In both cases, we find that experts formulated as feed-forward networks with commonly used activation such as $\mathrm{ReLU}$ and $\mathrm{GELU}$ enjoy faster convergence rates under the sigmoid gating than those under softmax gating. Furthermore, given the same choice of experts, we demonstrate that the sigmoid gating function requires a smaller sample size than its softmax counterpart to attain the same error of expert estimation and, therefore, is more sample efficient.
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In recent years, DeepFake technology has achieved unprecedented success in high-quality video synthesis, but these methods also pose potential and severe security threats to humanity. DeepFake can be bifurcated into entertainment applications like face swapping and illicit uses such as lip-syncing fraud. However, lip-forgery videos, which neither change identity nor have discernible visual artifacts, present a formidable challenge to existing DeepFake detection methods. Our preliminary experiments have shown that the effectiveness of the existing methods often drastically decrease or even fail when tackling lip-syncing videos. In this paper, for the first time, we propose a novel approach dedicated to lip-forgery identification that exploits the inconsistency between lip movements and audio signals. We also mimic human natural cognition by capturing subtle biological links between lips and head regions to boost accuracy. To better illustrate the effectiveness and advances of our proposed method, we create a high-quality LipSync dataset, AVLips, by employing the state-of-the-art lip generators. We hope this high-quality and diverse dataset could be well served the further research on this challenging and interesting field. Experimental results show that our approach gives an average accuracy of more than 95.3% in spotting lip-syncing videos, significantly outperforming the baselines. Extensive experiments demonstrate the capability to tackle deepfakes and the robustness in surviving diverse input transformations. Our method achieves an accuracy of up to 90.2% in real-world scenarios (e.g., WeChat video call) and shows its powerful capabilities in real scenario deployment. To facilitate the progress of this research community, we release all resources at https://github.com/AaronComo/LipFD.
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Efficient coding theory posits that sensory circuits transform natural signals into neural representations that maximize information transmission subject to resource constraints. Local interneurons are thought to play an important role in these transformations, shaping patterns of circuit activity to facilitate and direct information flow. However, the relationship between these coordinated, nonlinear, circuit-level transformations and the properties of interneurons (e.g., connectivity, activation functions) remains unknown. Here, we propose a normative computational model that establishes such a relationship. Our model is derived from an optimal transport objective that conceptualizes the circuit's input-response function as transforming the inputs to achieve a target response distribution. The circuit, which is comprised of primary neurons that are recurrently connected to a set of local interneurons, continuously optimizes this objective by dynamically adjusting both the synaptic connections between neurons as well as the interneuron activation functions. In an application motivated by redundancy reduction theory, we demonstrate that when the inputs are natural image statistics and the target distribution is a spherical Gaussian, the circuit learns a nonlinear transformation that significantly reduces statistical dependencies in neural responses. Overall, our results provide a framework in which the distribution of circuit responses is systematically and nonlinearly controlled by adjustment of interneuron connectivity and activation functions.
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Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that features of all nodes exponentially converge to the same vector over layers, prohibiting the design of deep GNNs. In this work we study oversmoothing in graph convolutional networks (GCNs) by using their Gaussian process (GP) equivalence in the limit of infinitely many hidden features. By generalizing methods from conventional deep neural networks (DNNs), we can describe the distribution of features at the output layer of deep GCNs in terms of a GP: as expected, we find that typical parameter choices from the literature lead to oversmoothing. The theory, however, allows us to identify a new, non-oversmoothing phase: if the initial weights of the network have sufficiently large variance, GCNs do not oversmooth, and node features remain informative even at large depth. We demonstrate the validity of this prediction in finite-size GCNs by training a linear classifier on their output. Moreover, using the linearization of the GCN GP, we generalize the concept of propagation depth of information from DNNs to GCNs. This propagation depth diverges at the transition between the oversmoothing and non-oversmoothing phase. We test the predictions of our approach and find good agreement with finite-size GCNs. Initializing GCNs near the transition to the non-oversmoothing phase, we obtain networks which are both deep and expressive.
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In the past decade, deep conditional generative models have revolutionized the generation of realistic images, extending their application from entertainment to scientific domains. Single-particle cryo-electron microscopy (cryo-EM) is crucial in resolving near-atomic resolution 3D structures of proteins, such as the SARS-COV-2 spike protein. To achieve high-resolution reconstruction, a comprehensive data processing pipeline has been adopted. However, its performance is still limited as it lacks high-quality annotated datasets for training. To address this, we introduce physics-informed generative cryo-electron microscopy (CryoGEM), which for the first time integrates physics-based cryo-EM simulation with a generative unpaired noise translation to generate physically correct synthetic cryo-EM datasets with realistic noises. Initially, CryoGEM simulates the cryo-EM imaging process based on a virtual specimen. To generate realistic noises, we leverage an unpaired noise translation via contrastive learning with a novel mask-guided sampling scheme. Extensive experiments show that CryoGEM is capable of generating authentic cryo-EM images. The generated dataset can be used as training data for particle picking and pose estimation models, eventually improving the reconstruction resolution.
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Adaptive Risk Control (ARC) is an online calibration strategy based on set prediction that offers worst-case deterministic long-term risk control, as well as statistical marginal coverage guarantees. ARC adjusts the size of the prediction set by varying a single scalar threshold based on feedback from past decisions. In this work, we introduce Localized Adaptive Risk Control (L-ARC), an online calibration scheme that targets statistical localized risk guarantees ranging from conditional risk to marginal risk, while preserving the worst-case performance of ARC. L-ARC updates a threshold function within a reproducing kernel Hilbert space (RKHS), with the kernel determining the level of localization of the statistical risk guarantee. The theoretical results highlight a trade-off between localization of the statistical risk and convergence speed to the long-term risk target. Thanks to localization, L-ARC is demonstrated via experiments to produce prediction sets with risk guarantees across different data subpopulations, significantly improving the fairness of the calibrated model for tasks such as image segmentation and beam selection in wireless networks.
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We present Meta 3D AssetGen (AssetGen), a significant advancement in text-to-3D generation which produces faithful, high-quality meshes with texture and material control. Compared to works that bake shading in the 3D object’s appearance, AssetGen outputs physically-based rendering (PBR) materials, supporting realistic relighting. AssetGen generates first several views of the object with separate shaded and albedo appearance channels, and then reconstructs colours, metalness and roughness in 3D, using a deferred shading loss for efficient supervision. It also uses a sign-distance function to represent 3D shape more reliably and introduces a corresponding loss for direct shape supervision. This is implemented using fused kernels for high memory efficiency. After mesh extraction, a texture refinement transformer operating in UV space significantly improves sharpness and details. AssetGen achieves 17% improvement in Chamfer Distance and 40% in LPIPS over the best concurrent work for few-view reconstruction, and a human preference of 72% over the best industry competitors of comparable speed, including those that support PBR. Project page with generated assets: https://assetgen.github.io
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Image deep features extracted by pre-trained networks are known to contain rich and informative representations. In this paper, we present Deep Degradation Response (DDR), a method to quantify changes in image deep features under varying degradation conditions. Specifically, our approach facilitates flexible and adaptive degradation, enabling the controlled synthesis of image degradation through text-driven prompts. Extensive evaluations demonstrate the versatility of DDR as an image descriptor, with strong correlations observed with key image attributes such as complexity, colorfulness, sharpness, and overall quality. Moreover, we demonstrate the efficacy of DDR across a spectrum of applications. It excels as a blind image quality assessment metric, outperforming existing methodologies across multiple datasets. Additionally, DDR serves as an effective unsupervised learning objective in image restoration tasks, yielding notable advancements in image deblurring and single-image super-resolution. Our code is available at: https://github.com/eezkni/DDR.
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Zero-shot reinforcement learning (RL) promises to provide agents that can perform _any_ task in an environment after an offline, reward-free pre-training phase. Methods leveraging successor measures and successor features have shown strong performance in this setting, but require access to large heterogenous datasets for pre-training which cannot be expected for most real problems. Here, we explore how the performance of zero-shot RL methods degrades when trained on small homogeneous datasets, and propose fixes inspired by _conservatism_, a well-established feature of performant single-task offline RL algorithms. We evaluate our proposals across various datasets, domains and tasks, and show that conservative zero-shot RL algorithms outperform their non-conservative counterparts on low quality datasets, and perform no worse on high quality datasets. Somewhat surprisingly, our proposals also outperform baselines that get to see the task during training. Our code is available via the project page https://enjeeneer.io/projects/zero-shot-rl/.
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Numerous studies have demonstrated that the cognitive processes of the human brain can be modeled using the Bayesian theorem for probabilistic inference of the external world. Spiking neural networks (SNNs), capable of performing Bayesian computation with greater physiological interpretability, offer a novel approach to distributed information processing in the cortex. However, applying these models to real-world scenarios to harness the advantages of brain-like computation remains a challenge. Recently, bio-inspired sensors with high dynamic range and ultra-high temporal resolution have been widely used in extreme vision scenarios. Event streams, generated by various types of motion, represent spatiotemporal data. Inferring motion targets from these streams without prior knowledge remains a difficult task. The Bayesian inference-based Expectation-Maximization (EM) framework has proven effective for motion segmentation in event streams, allowing for decoupling without prior information about the motion or its source. This work demonstrates that Bayesian computation based on spiking neural networks can decouple event streams of different motions. The Winner-Take-All (WTA) circuits in the constructed network implement an equivalent E-step, while STDP achieves an equivalent optimization in M-step. Through theoretical analysis and experiments, we show that STDP-based learning can maximize the contrast of warped events under mixed motion models. Experimental results show that the constructed spiking network can effectively segment the motion contained in event streams.
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The human brain exhibits a strong ability to spontaneously associate different visual attributes of the same or similar visual scene, such as associating sketches and graffiti with real-world visual objects, usually without supervising information. In contrast, in the field of artificial intelligence, controllable generation methods like ControlNet heavily rely on annotated training datasets such as depth maps, semantic segmentation maps, and poses, which limits the method’s scalability. Inspired by the neural mechanisms that may contribute to the brain’s associative power, specifically the cortical modularization and hippocampal pattern completion, here we propose a self-supervised controllable generation (SCG) framework. Firstly, we introduce an equivariance constraint to promote inter-module independence and intra-module correlation in a modular autoencoder network, thereby achieving functional specialization. Subsequently, based on these specialized modules, we employ a self-supervised pattern completion approach for controllable generation training. Experimental results demonstrate that the proposed modular autoencoder effectively achieves functional specialization, including the modular processing of color, brightness, and edge detection, and exhibits brain-like features including orientation selectivity, color antagonism, and center-surround receptive fields. Through self-supervised training, associative generation capabilities spontaneously emerge in SCG, demonstrating excellent zero-shot generalization ability to various tasks such as superresolution, dehaze and associative or conditional generation on painting, sketches, and ancient graffiti. Compared to the previous representative method ControlNet, our proposed approach not only demonstrates superior robustness in more challenging high-noise scenarios but also possesses more promising scalability potential due to its self-supervised manner. Codes are released on Github and Gitee.
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Motivated by the phenomenon of strategic agents gaming a recommender system to maximize the number of times they are recommended to users, we study a strategic variant of the linear contextual bandit problem, where the arms can strategically misreport privately observed contexts to the learner. We treat the algorithm design problem as one of *mechanism design* under uncertainty and propose the Optimistic Grim Trigger Mechanism (OptGTM) that incentivizes the agents (i.e., arms) to report their contexts truthfully while simultaneously minimizing regret. We also show that failing to account for the strategic nature of the agents results in linear regret. However, a trade-off between mechanism design and regret minimization appears to be unavoidable. More broadly, this work aims to provide insight into the intersection of online learning and mechanism design.
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Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more complex simulations - most importantly by taking into account different types of simulation datasets. This is of special interest since, akin to their numerical counterparts, different techniques are used across applications, even if the underlying dynamics of the systems are similar. Whereas the flexibility of transformers has enabled unified architectures across domains, neural operators mostly follow a problem specific design, where GNNs are commonly used for Lagrangian simulations and grid-based models predominate Eulerian simulations. We introduce Universal Physics Transformers (UPTs), an efficient and unified learning paradigm for a wide range of spatio-temporal problems. UPTs operate without grid- or particle-based latent structures, enabling flexibility and scalability across meshes and particles. UPTs efficiently propagate dynamics in the latent space, emphasized by inverse encoding and decoding techniques. Finally, UPTs allow for queries of the latent space representation at any point in space-time. We demonstrate diverse applicability and efficacy of UPTs in mesh-based fluid simulations, and steady-state Reynolds averaged Navier-Stokes simulations, and Lagrangian-based dynamics.
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Single-cell genomics has significantly advanced our understanding of cellular behavior, catalyzing innovations in treatments and precision medicine. However, single-cell sequencing technologies are inherently destructive and can only measure a limited array of data modalities simultaneously. This limitation underscores the need for new methods capable of realigning cells. Optimal transport (OT) has emerged as a potent solution, but traditional discrete solvers are hampered by scalability, privacy, and out-of-sample estimation issues. These challenges have spurred the development of neural network-based solvers, known as neural OT solvers, that parameterize OT maps. Yet, these models often lack the flexibility needed for broader life science applications. To address these deficiencies, our approach learns stochastic maps (i.e. transport plans), allows for any cost function, relaxes mass conservation constraints and integrates quadratic solvers to tackle the complex challenges posed by the (Fused) Gromov-Wasserstein problem. Utilizing flow matching as a backbone, our method offers a flexible and effective framework. We demonstrate its versatility and robustness through applications in cell development studies, cellular drug response modeling, and cross-modality cell translation, illustrating significant potential for enhancing therapeutic strategies.
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With the arrival of the Noisy Intermediate-Scale Quantum (NISQ) era, Variational Quantum Algorithms (VQAs) have emerged to obtain possible quantum advantage. In particular, how to effectively incorporate hard constraints in VQAs remains a critical and open question. In this paper, we manage to combine the Hamming Weight Preserving ansatz with a topological-aware parity check on physical qubits to enforce error mitigation and further hard constraints. We demonstrate the combination significantly outperforms peer VQA methods on both quantum chemistry problems and constrained combinatorial optimization problems e.g. Quadratic Assignment Problem. Intensive experimental results on both simulators and superconducting quantum processors are provided to verify that the combination of HWP ansatz with parity check is among the most promising candidates to demonstrate quantum advantages in the NISQ era to solve more realistic problems.
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Unsupervised automatic speech recognition (ASR) aims to learn the mapping between the speech signal and its corresponding textual transcription without the supervision of paired speech-text data. A word/phoneme in the speech signal is represented by a segment of speech signal with variable length and unknown boundary, and this segmental structure makes learning the mapping between speech and text challenging, especially without paired data. In this paper, we propose REBORN, Reinforcement-Learned Boundary Segmentation with Iterative Training for Unsupervised ASR. REBORN alternates between (1) training a segmentation model that predicts the boundaries of the segmental structures in speech signals and (2) training the phoneme prediction model, whose input is a segmental structure segmented by the segmentation model, to predict a phoneme transcription. Since supervised data for training the segmentation model is not available, we use reinforcement learning to train the segmentation model to favor segmentations that yield phoneme sequence predictions with a lower perplexity. We conduct extensive experiments and find that under the same setting, REBORN outperforms all prior unsupervised ASR models on LibriSpeech, TIMIT, and five non-English languages in Multilingual LibriSpeech. We comprehensively analyze why the boundaries learned by REBORN improve the unsupervised ASR performance.
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Recent insights have revealed that rate-coding is a primary form of information representation captured by surrogate-gradient-based Backpropagation Through Time (BPTT) in training deep Spiking Neural Networks (SNNs). Motivated by these findings, we propose rate-based backpropagation, a training strategy specifically designed to exploit rate-based representations to reduce the complexity of BPTT. Our method minimizes reliance on detailed temporal derivatives by focusing on averaged dynamics, streamlining the computational graph to reduce memory and computational demands of SNNs training. We substantiate the rationality of the gradient approximation between BPTT and the proposed method through both theoretical analysis and empirical observations. Comprehensive experiments on CIFAR-10, CIFAR-100, ImageNet, and CIFAR10-DVS validate that our method achieves comparable performance to BPTT counterparts, and surpasses state-of-the-art efficient training techniques. By leveraging the inherent benefits of rate-coding, this work sets the stage for more scalable and efficient SNNs training within resource-constrained environments.
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We address the problem of stochastic combinatorial semi-bandits, where a player selects among $P$ actions from the power set of a set containing $d$ base items. Adaptivity to the problem's structure is essential in order to obtain optimal regret upper bounds. As estimating the coefficients of a covariance matrix can be manageable in practice, leveraging them should improve the regret. We design ``optimistic'' covariance-adaptive algorithms relying on online estimations of the covariance structure, called OLS-UCB-C and COS-V (only the variances for the latter). They both yields improved gap-free regret. Although COS-V can be slightly suboptimal, it improves on computational complexity by taking inspiration from Thompson Sampling approaches. It is the first sampling-based algorithm satisfying a $\sqrt{T}$ gap-free regret (up to poly-logs). We also show that in some cases, our approach efficiently leverages the semi-bandit feedback and outperforms bandit feedback approaches, not only in exponential regimes where $P\gg d$ but also when $P\leq d$, which is not covered by existing analyses.
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In this paper, we tackle the challenge of generating high-quality hash codes for cross-modal retrieval in the presence of incomplete labels, which creates uncertainty in distinguishing between positive and negative pairs. Vision-language models such as CLIP offer a potential solution by providing generic knowledge for missing label recovery, yet their zero-shot performance remains insufficient. To address this, we propose a novel Prompt Contrastive Recovery approach, \textbf{PCRIL}, which progressively identifies promising positive classes from unknown label sets and recursively searches for other relevant labels. Identifying unknowns is nontrivial due to the fixed and long-tailed patterns of positive label sets in training data, which hampers the discovery of new label combinations. Therefore, we consider each subset of positive labels and construct three types of negative prompts through deletion, addition, and replacement for prompt learning. The augmented supervision guides the model to measure the completeness of label sets, thus facilitating the subsequent greedy tree search for label completion. We also address extreme cases of significant unknown labels and lack of negative pairwise supervision by deriving two augmentation strategies: seeking unknown-complementary samples for mixup and random flipping for negative labels. Extensive experiments reveal the vulnerability of current methods and demonstrate the effectiveness of PCRIL, achieving an average 12\% mAP improvement to the current SOTA across all datasets. Our code is available at https://github.com/E-Galois/PCRIL.
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Computational intensiveness of deep learning has motivated low-precision arithmetic designs. However, the current quantized/binarized training approaches are limited by: (1) significant performance loss due to arbitrary approximations of the latent weight gradient through its discretization/binarization function, and (2) training computational intensiveness due to the reliance on full-precision latent weights. This paper proposes a novel mathematical principle by introducing the notion of Boolean variation such that neurons made of Boolean weights and/or activations can be trained ---for the first time--- natively in Boolean domain instead of latent-weight gradient descent and real arithmetic. We explore its convergence, conduct extensively experimental benchmarking, and provide consistent complexity evaluation by considering chip architecture, memory hierarchy, dataflow, and arithmetic precision. Our approach achieves baseline full-precision accuracy in ImageNet classification and surpasses state-of-the-art results in semantic segmentation, with notable performance in image super-resolution, and natural language understanding with transformer-based models. Moreover, it significantly reduces energy consumption during both training and inference.
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Recent advances in 3D object detection leveraging multi-view cameras have demonstrated their practical and economical value in various challenging vision tasks. However, typical supervised learning approaches face challenges in achieving satisfactory adaptation toward unseen and unlabeled target datasets (i.e., direct transfer) due to the inevitable geometric misalignment between the source and target domains. In practice, we also encounter constraints on resources for training models and collecting annotations for the successful deployment of 3D object detectors. In this paper, we propose Unified Domain Generalization and Adaptation (UDGA), a practical solution to mitigate those drawbacks. We first propose Multi-view Overlap Depth Constraint that leverages the strong association between multi-view, significantly alleviating geometric gaps due to perspective view changes. Then, we present a Label-Efficient Domain Adaptation approach to handle unfamiliar targets with significantly fewer amounts of labels (i.e., 1$\%$ and 5$\%)$, while preserving well-defined source knowledge for training efficiency. Overall, UDGA framework enables stable detection performance in both source and target domains, effectively bridging inevitable domain gaps, while demanding fewer annotations. We demonstrate the robustness of UDGA with large-scale benchmarks: nuScenes, Lyft, and Waymo, where our framework outperforms the current state-of-the-art methods.
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Reasoning capabilities are crucial for Large Language Models~(LLMs), yet a notable gap exists between English and non-English languages. To bridge this disparity, some works fine-tune LLMs to relearn reasoning capabilities in non-English languages, while others replace non-English inputs with an external model's outputs such as English translation text to circumvent the challenge of LLM understanding non-English. Unfortunately, these methods often underutilize the built-in skilled reasoning and useful language understanding capabilities of LLMs. In order to better utilize the minds of reasoning and language understanding in LLMs, we propose a new method, namely MergeMinds, which merges LLMs with the external language understanding capabilities from multilingual models to boost the multilingual reasoning performance. Furthermore, a two-step training scheme is introduced to first train to embeded the external capabilities into LLMs and then train the collaborative utilization of the external capabilities and the built-in capabilities in LLMs. Experiments on three multilingual reasoning datasets and a language understanding dataset demonstrate that MergeMinds consistently outperforms all baselines, especially in low-resource languages. Without updating the parameters of LLMs, the average accuracy improved by 6.7 and 8.0 across all languages and low-resource languages on the MGSM dataset, respectively.
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Predictable adaptation of network depths can be an effective way to control inference latency and meet the resource condition of various devices. However, previous adaptive depth networks do not provide general principles and a formal explanation on why and which layers can be skipped, and, hence, their approaches are hard to be generalized and require long and complex training steps. In this paper, we present a practical approach to adaptive depth networks that is applicable to various networks with minimal training effort. In our approach, every hierarchical residual stage is divided into two sub-paths, and they are trained to acquire different properties through a simple self-distillation strategy. While the first sub-path is essential for hierarchical feature learning, the second one is trained to refine the learned features and minimize performance degradation if it is skipped. Unlike prior adaptive networks, our approach does not train every target sub-network in an iterative manner. At test time, however, we can connect these sub-paths in a combinatorial manner to select sub-networks of various accuracy-efficiency trade-offs from a single network. We provide a formal rationale for why the proposed training method can reduce overall prediction errors while minimizing the impact of skipping sub-paths. We demonstrate the generality and effectiveness of our approach with convolutional neural networks and transformers.
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We propose a novel unsupervised method to learn pose and part-segmentation of articulated objects with rigid parts. Given two observations of an object in different articulation states, our method learns the geometry and appearance of object parts by using an implicit model from the first observation, distills the part segmentation and articulation from the second observation while rendering the latter observation. Additionally, to tackle the complexities in the joint optimization of part segmentation and articulation, we propose a voxel grid based initialization strategy and a decoupled optimization procedure. Compared to the prior unsupervised work, our model obtains significantly better performance, generalizes to objects with multiple parts while it can be efficiently from few views for the latter observation.
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The necessity to align two graphs, minimizing a structural distance metric, is prevalent in biology, chemistry, recommender systems, and social network analysis. Due to the problem’s NP-hardness, prevailing graph alignment methods follow a modular and mediated approach, solving the problem by restricting to the domain of intermediary graph representations or products like embeddings, spectra, and graph signals. Restricting the problem to this intermediate space may distort the original problem and are hence predisposed to miss high-quality solutions. In this paper, we propose an unrestricted method, FUGAL, which finds a permutation matrix that maps one graph to another by directly operating on their adjacency matrices with judicious constraint relaxation. Extensive experimentation demonstrates that FUGAL consistently surpasses state-of-the-art graph alignment methods in accuracy across all benchmark datasets without encumbering efficiency.
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Models of hyperbolic geometry have been successfully used in ML for two main tasks: embedding *models* in unsupervised learning (*e.g.* hierarchies) and embedding *data*. To our knowledge, there are no approaches that provide embeddings for supervised models; even when hyperbolic geometry provides convenient properties for expressing popular hypothesis classes, such as decision trees (and ensembles). In this paper, we propose a full-fledged solution to the problem in three independent contributions. The first linking the theory of losses for class probability estimation to hyperbolic embeddings in Poincar\'e disk model. The second resolving an issue for a clean, unambiguous embedding of (ensembles of) decision trees in this model. The third showing how to smoothly tweak the Poincar\'e hyperbolic distance to improve its encoding and visualization properties near the border of the disk, a crucial region for our application, while keeping hyperbolicity. This last step has substantial independent interest as it is grounded in a generalization of Leibniz-Newton's fundamental Theorem of calculus.
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Multi-team games, prevalent in robotics and resource management, involve team members striving for a joint best response against other teams. Team-Nash equilibrium (TNE) predicts the outcomes of such coordinated interactions. However, can teams of self-interested agents reach TNE? We introduce Team-Fictitious Play (Team-FP), a new variant of fictitious play where agents respond to the last actions of team members and the beliefs formed about other teams with some inertia in action updates. This design is essential in team coordination beyond the classical fictitious play dynamics. We focus on zero-sum potential team games (ZSPTGs) where teams can interact pairwise while the team members do not necessarily have identical payoffs. We show that Team-FP reaches near TNE in ZSPTGs with a quantifiable error bound. We extend Team-FP dynamics to multi-team Markov games for model-based and model-free cases. The convergence analysis tackles the challenge of non-stationarity induced by evolving opponent strategies based on the optimal coupling lemma and stochastic differential inclusion approximation methods. Our work strengthens the foundation for using TNE to predict the behavior of decentralized teams and offers a practical rule for team learning in multi-team environments. We provide extensive simulations of Team-FP dynamics and compare its performance with other widely studied dynamics such as smooth fictitious play and multiplicative weights update. We further explore how different parameters impact the speed of convergence.
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Electronic health record (EHR) data has emerged as a valuable resource for analyzing patient health status. However, the prevalence of missing data in EHR poses significant challenges to existing methods, leading to spurious correlations and suboptimal predictions. While various imputation techniques have been developed to address this issue, they often obsess difficult-to-interpolate details and may introduce additional noise when making clinical predictions. To tackle this problem, we propose SMART, a Self-Supervised Missing-Aware RepresenTation Learning approach for patient health status prediction, which encodes missing information via missing-aware temporal and variable attentions and learns to impute missing values through a novel self-supervised pre-training approach which reconstructs missing data representations in the latent space rather than in input space as usual. By adopting elaborated attentions and focusing on learning higher-order representations, SMART promotes better generalization and robustness to missing data. We validate the effectiveness of SMART through extensive experiments on six EHR tasks, demonstrating its superiority over state-of-the-art methods.
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Solving a polynomial system, or computing an associated Gröbner basis, has been a fundamental task in computational algebra. However, it is also known for its notorious doubly exponential time complexity in the number of variables in the worst case. This paper is the first to address the learning of Gröbner basis computation with Transformers. The training requires many pairs of a polynomial system and the associated Gröbner basis, raising two novel algebraic problems: random generation of Gröbner bases and transforming them into non-Gröbner ones, termed as backward Gröbner problem. We resolve these problems with 0-dimensional radical ideals, the ideals appearing in various applications. Further, we propose a hybrid input embedding to handle coefficient tokens with continuity bias and avoid the growth of the vocabulary set. The experiments show that our dataset generation method is a few orders of magnitude faster than a naive approach, overcoming a crucial challenge in learning to compute Gröbner bases, and Gröbner computation is learnable in a particular class.
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In contextual dynamic pricing, a seller sequentially prices goods based on contextual information. Buyers will purchase products only if the prices are below their valuations. The goal of the seller is to design a pricing strategy that collects as much revenue as possible. We focus on two different valuation models. The first assumes that valuations linearly depend on the context and are further distorted by noise. Under minor regularity assumptions, our algorithm achieves an optimal regret bound of $\tilde{\mathcal{O}}(T^{2/3})$, improving the existing results. The second model removes the linearity assumption, requiring only that the expected buyer valuation is $\beta$-H\"older in the context. For this model, our algorithm obtains a regret $\tilde{\mathcal{O}}(T^{d+2\beta/d+3\beta})$, where $d$ is the dimension of the context space.
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We measure the out-of-domain uncertainty in the prediction of Neural Networks using a statistical notion called "Lens Depth'' (LD) combined with Fermat Distance, which is able to capture precisely the "depth'' of a point with respect to a distribution in feature space, without any distributional assumption. Our method also has no trainable parameter. The method is applied directly in the feature space at test time and does not intervene in training process. As such, it does not impact the performance of the original model. The proposed method gives excellent qualitative results on toy datasets and can give competitive or better uncertainty estimation on standard deep learning datasets compared to strong baseline methods.
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Exploiting the power of pre-trained models, prompt-based approaches stand out compared to other continual learning solutions in effectively preventing catastrophic forgetting, even with very few learnable parameters and without the need for a memory buffer. While existing prompt-based continual learning methods excel in leveraging prompts for state-of-the-art performance, they often lack a theoretical explanation for the effectiveness of prompting. This paper conducts a theoretical analysis to unravel how prompts bestow such advantages in continual learning, thus offering a new perspective on prompt design. We first show that the attention block of pre-trained models like Vision Transformers inherently encodes a special mixture of experts architecture, characterized by linear experts and quadratic gating score functions. This realization drives us to provide a novel view on prefix tuning, reframing it as the addition of new task-specific experts, thereby inspiring the design of a novel gating mechanism termed Non-linear Residual Gates (NoRGa). Through the incorporation of non-linear activation and residual connection, NoRGa enhances continual learning performance while preserving parameter efficiency. The effectiveness of NoRGa is substantiated both theoretically and empirically across diverse benchmarks and pretraining paradigms. Our code is publicly available at https://github.com/Minhchuyentoancbn/MoE_PromptCL.
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In recent years, learned image compression (LIC) technologies have surpassed conventional methods notably in terms of rate-distortion (RD) performance. Most present learned techniques are VAE-based with an autoregressive entropy model, which obviously promotes the RD performance by utilizing the decoded causal context. However, extant methods are highly dependent on the fixed hand-crafted causal context. The question of how to guide the auto-encoder to generate a more effective causal context benefit for the autoregressive entropy models is worth exploring. In this paper, we make the first attempt in investigating the way to explicitly adjust the causal context with our proposed Causal Context Adjustment loss (CCA-loss). By imposing the CCA-loss, we enable the neural network to spontaneously adjust important information into the early stage of the autoregressive entropy model. Furthermore, as transformer technology develops remarkably, variants of which have been adopted by many state-of-the-art (SOTA) LIC techniques. The existing computing devices have not adapted the calculation of the attention mechanism well, which leads to a burden on computation quantity and inference latency. To overcome it, we establish a convolutional neural network (CNN) image compression model and adopt the unevenly channel-wise grouped strategy for high efficiency. Ultimately, the proposed CNN-based LIC network trained with our Causal Context Adjustment loss attains a great trade-off between inference latency and rate-distortion performance.
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Estimating causal quantities from observational data is crucial for understanding the safety and effectiveness of medical treatments. However, to make reliable inferences, medical practitioners require not only estimating averaged causal quantities, such as the conditional average treatment effect, but also understanding the randomness of the treatment effect as a random variable. This randomness is referred to as aleatoric uncertainty and is necessary for understanding the probability of benefit from treatment or quantiles of the treatment effect. Yet, the aleatoric uncertainty of the treatment effect has received surprisingly little attention in the causal machine learning community. To fill this gap, we aim to quantify the aleatoric uncertainty of the treatment effect at the covariate-conditional level, namely, the conditional distribution of the treatment effect (CDTE). Unlike average causal quantities, the CDTE is not point identifiable without strong additional assumptions. As a remedy, we employ partial identification to obtain sharp bounds on the CDTE and thereby quantify the aleatoric uncertainty of the treatment effect. We then develop a novel, orthogonal learner for the bounds on the CDTE, which we call AU-learner. We further show that our AU-learner has several strengths in that it satisfies Neyman-orthogonality and is doubly robust. Finally, we propose a fully-parametric deep learning instantiation of our AU-learner.
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The superior generation capabilities of Denoised Diffusion Probabilistic Models (DDPMs) have been effectively showcased across a multitude of domains. Recently, the application of DDPMs has extended to time series generation tasks, where they have significantly outperformed other deep generative models, often by a substantial margin. However, we have discovered two main challenges with these methods: 1) the inference time is excessively long; 2) there is potential for improvement in the quality of the generated time series. In this paper, we propose a method based on discrete token modeling technique called Similarity-driven Discrete Transformer (SDformer). Specifically, SDformer utilizes a similarity-driven vector quantization method for learning high-quality discrete token representations of time series, followed by a discrete Transformer for data distribution modeling at the token level. Comprehensive experiments show that our method significantly outperforms competing approaches in terms of the generated time series quality while also ensuring a short inference time. Furthermore, without requiring retraining, SDformer can be directly applied to predictive tasks and still achieve commendable results.
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Recently, differentiable mask pruning methods optimize the continuous relaxation architecture (soft network) as the proxy of the pruned discrete network (hard network) for superior sub-architecture search. However, due to the agnostic impact of the discretization process, the hard network struggles with the equivalent representational capacity as the soft network, namely discretization gap, which severely spoils the pruning performance. In this paper, we first investigate the discretization gap and propose a novel structural differentiable mask pruning framework named S2HPruner to bridge the discretization gap in a one-stage manner. In the training procedure, SH2Pruner forwards both the soft network and its corresponding hard network, then distills the hard network under the supervision of the soft network. To optimize the mask and prevent performance degradation, we propose a decoupled bidirectional knowledge distillation. It blocks the weight updating from the hard to the soft network while maintaining the gradient corresponding to the mask. Compared with existing pruning arts, S2HPruner achieves surpassing pruning performance without fine-tuning on comprehensive benchmarks, including CIFAR-100, Tiny ImageNet, and ImageNet with a variety of network architectures. Besides, investigation and analysis experiments explain the effectiveness of S2HPruner. Codes will be released soon.
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Omnidirectional (or 360-degree) images are increasingly being used for 3D applications since they allow the rendering of an entire scene with a single image. Existing works based on neural radiance fields demonstrate successful 3D reconstruction quality on egocentric videos, yet they suffer from long training and rendering times. Recently, 3D Gaussian splatting has gained attention for its fast optimization and real-time rendering. However, directly using a perspective rasterizer to omnidirectional images results in severe distortion due to the different optical properties between the two image domains. In this work, we present ODGS, a novel rasterization pipeline for omnidirectional images with geometric interpretation. For each Gaussian, we define a tangent plane that touches the unit sphere and is perpendicular to the ray headed toward the Gaussian center. We then leverage a perspective camera rasterizer to project the Gaussian onto the corresponding tangent plane. The projected Gaussians are transformed and combined into the omnidirectional image, finalizing the omnidirectional rasterization process. This interpretation reveals the implicit assumptions within the proposed pipeline, which we verify through mathematical proofs. The entire rasterization process is parallelized using CUDA, achieving optimization and rendering speeds 100 times faster than NeRF-based methods. Our comprehensive experiments highlight the superiority of ODGS by delivering the best reconstruction and perceptual quality across various datasets. Additionally, results on roaming datasets demonstrate that ODGS effectively restores fine details, even when reconstructing large 3D scenes. The source code is available on our project page (https://github.com/esw0116/ODGS).
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Estimating the homography between two images is crucial for mid- or high-level vision tasks, such as image stitching and fusion. However, using supervised learning methods is often challenging or costly due to the difficulty of collecting ground-truth data. In response, unsupervised learning approaches have emerged. Most early methods, though, assume that the given image pairs are from the same camera or have minor lighting differences. Consequently, while these methods perform effectively under such conditions, they generally fail when input image pairs come from different domains, referred to as multimodal image pairs. To address these limitations, we propose AltO, an unsupervised learning framework for estimating homography in multimodal image pairs. Our method employs a two-phase alternating optimization framework, similar to Expectation-Maximization (EM), where one phase reduces the geometry gap and the other addresses the modality gap. To handle these gaps, we use Barlow Twins loss for the modality gap and propose an extended version, Geometry Barlow Twins, for the geometry gap. As a result, we demonstrate that our method, AltO, can be trained on multimodal datasets without any ground-truth data. It not only outperforms other unsupervised methods but is also compatible with various architectures of homography estimators. The source code can be found at: https://github.com/songsang7/AltO
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In practical scenarios, it is necessary to build variable-sized models to accommodate diverse resource constraints, where weight initialization serves as a crucial step preceding training. The recently introduced Learngene framework firstly learns one compact module, termed learngene, from a large well-trained model, and then transforms learngene to initialize variable-sized models. However, the existing Learngene methods provide limited guidance on transforming learngene, where transformation mechanisms are manually designed and generally lack a learnable component. Moreover, these methods only consider transforming learngene along depth dimension, thus constraining the flexibility of learngene. Motivated by these concerns, we propose a novel and effective Learngene approach termed LeTs (Learnable Transformation), where we transform the learngene module along both width and depth dimension with a set of learnable matrices for flexible variablesized model initialization. Specifically, we construct an auxiliary model comprising the compact learngene module and learnable transformation matrices, enabling both components to be trained. To meet the varying size requirements of target models, we select specific parameters from well-trained transformation matrices to adaptively transform the learngene, guided by strategies such as continuous selection and magnitude-wise selection. Extensive experiments on ImageNet-1K demonstrate that Des-Nets initialized via LeTs outperform those with 100-epoch from scratch training after only 1 epoch tuning. When transferring to downstream image classification tasks, LeTs achieves better results while outperforming from scratch training after about 10 epochs within a 300-epoch training schedule.
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We explore the potential of self-play training for large language models (LLMs) in a two-player adversarial language game called Adversarial Taboo. In this game, an attacker and a defender communicate around a target word only visible to the attacker. The attacker aims to induce the defender to speak the target word unconsciously, while the defender tries to infer the target word from the attacker's utterances. To win the game, both players must have sufficient knowledge about the target word and high-level reasoning ability to infer and express in this information-reserved conversation. Hence, we are curious about whether LLMs' reasoning ability can be further enhanced by Self-Playing this Adversarial language Game (SPAG). With this goal, we select several open-source LLMs and let each act as the attacker and play with a copy of itself as the defender on an extensive range of target words. Through reinforcement learning on the game outcomes, we observe that the LLMs' performances uniformly improve on a broad range of reasoning benchmarks. Furthermore, iteratively adopting this self-play process can continuously promote LLMs' reasoning abilities. The code is available at https://github.com/Linear95/SPAG.
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Distributional regression aims at estimating the conditional distribution of a target variable given explanatory co-variates. It is a crucial tool for forecasting when a precise uncertainty quantification is required. A popular methodology consists in fitting a parametric model via empirical risk minimization where the risk is measured by the Continuous Rank Probability Score (CRPS). For independent and identically distributed observations, we provide a concentration result for the estimation error and an upper bound for its expectation. Furthermore, we consider model selection performed by minimization of the validation error and provide a concentration bound for the regret. A similar result is proved for convex aggregation of models. Finally, we show that our results may be applied to various models such as EMOS, distributional regression networks, distributional nearest neighbours or distributional random forests and we illustrate our findings on two data sets (QSAR aquatic toxicity and Airfoil self-noise).
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The neural network memorization problem is to study the expressive power of neural networks to interpolate a finite dataset. Although memorization is widely believed to have a close relationship with the strong generalizability of deep learning when using overparameterized models, to the best of our knowledge, there exists no theoretical study on the generalizability of memorization neural networks. In this paper, we give the first theoretical analysis of this topic. Since using i.i.d. training data is a necessary condition for a learning algorithm to be generalizable, memorization and its generalization theory for i.i.d. datasets are developed under mild conditions on the data distribution. First, algorithms are given to construct memorization networks for an i.i.d. dataset, which have the smallest number of parameters and even a constant number of parameters. Second, we show that, in order for the memorization networks to be generalizable, the width of the network must be at least equal to the dimension of the data, which implies that the existing memorization networks with an optimal number of parameters are not generalizable. Third, a lower bound for the sample complexity of general memorization algorithms and the exact sample complexity for memorization algorithms with constant number of parameters are given. As a consequence, it is shown that there exist data distributions such that, to be generalizable for them, the memorization network must have an exponential number of parameters in the data dimension. Finally, an efficient and generalizable memorization algorithm is given when the number of training samples is greater than the efficient memorization sample complexity of the data distribution.
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In today’s era, whatever we can measure at scale, we can optimize. So far, measuring the interpretability of units in deep neural networks (DNNs) for computer vision still requires direct human evaluation and is not scalable. As a result, the inner workings of DNNs remain a mystery despite the remarkable progress we have seen in their applications. In this work, we introduce the first scalable method to measure the per-unit interpretability in vision DNNs. This method does not require any human evaluations, yet its prediction correlates well with existing human interpretability measurements. We validate its predictive power through an interventional human psychophysics study. We demonstrate the usefulness of this measure by performing previously infeasible experiments: (1) A large-scale interpretability analysis across more than 70 million units from 835 computer vision models, and (2) an extensive analysis of how units transform during training. We find an anticorrelation between a model's downstream classification performance and per-unit interpretability, which is also observable during model training. Furthermore, we see that a layer's location and width influence its interpretability.
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This work considers the problem of sampling from a probability distribution known up to a normalization constant while satisfying a set of statistical constraints specified by the expected values of general nonlinear functions. This problem finds applications in, e.g., Bayesian inference, where it can constrain moments to evaluate counterfactual scenarios or enforce desiderata such as prediction fairness. Methods developed to handle support constraints, such as those based on mirror maps, barriers, and penalties, are not suited for this task. This work therefore relies on gradient descent-ascent dynamics in Wasserstein space to put forward a discrete-time primal-dual Langevin Monte Carlo algorithm (PD-LMC) that simultaneously constrains the target distribution and samples from it. We analyze the convergence of PD-LMC under standard assumptions on the target distribution and constraints, namely (strong) convexity and log-Sobolev inequalities. To do so, we bring classical optimization arguments for saddle-point algorithms to the geometry of Wasserstein space. We illustrate the relevance and effectiveness of PD-LMC in several applications.
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Domain adaptive object detection (DAOD) aims to generalize detectors trained on an annotated source domain to an unlabelled target domain. As the visual-language models (VLMs) can provide essential general knowledge on unseen images, freezing the visual encoder and inserting a domain-agnostic adapter can learn domain-invariant knowledge for DAOD. However, the domain-agnostic adapter is inevitably biased to the source domain. It discards some beneficial knowledge discriminative on the unlabelled domain, \ie domain-specific knowledge of the target domain. To solve the issue, we propose a novel Domain-Aware Adapter (DA-Ada) tailored for the DAOD task. The key point is exploiting domain-specific knowledge between the essential general knowledge and domain-invariant knowledge. DA-Ada consists of the Domain-Invariant Adapter (DIA) for learning domain-invariant knowledge and the Domain-Specific Adapter (DSA) for injecting the domain-specific knowledge from the information discarded by the visual encoder. Comprehensive experiments over multiple DAOD tasks show that DA-Ada can efficiently infer a domain-aware visual encoder for boosting domain adaptive object detection. Our code is available at https://github.com/Therock90421/DA-Ada.
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Survival prediction often involves estimating the time-to-event distribution from censored datasets. Previous approaches have focused on enhancing discrimination and marginal calibration. In this paper, we highlight the significance of *conditional calibration* for real-world applications – especially its role in individual decision-making. We propose a method based on conformal prediction that uses the model’s predicted individual survival probability at that instance’s observed time. This method effectively improves the model’s marginal and conditional calibration, without compromising discrimination. We provide asymptotic theoretical guarantees for both marginal and conditional calibration and test it extensively across 15 diverse real-world datasets, demonstrating the method’s practical effectiveness and versatility in various settings.
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Recently, there have been some works studying self-supervised adversarial training, a learning paradigm that learns robust features without labels. While those works have narrowed the performance gap between self-supervised adversarial training (SAT) and supervised adversarial training (supervised AT), a well-established formulation of SAT and its connections with supervised AT are under-explored. Based on a simple SAT benchmark, we find that SAT still faces the problem of large robust generalization gap and degradation on natural samples. We hypothesize this is due to the lack of data complexity and model regularization and propose a method named as DAQ-SDP (Diverse Augmented Queries Self-supervised Double Perturbation). We first challenge the previous conclusion that complex data augmentations degrade robustness in SAT by using diversely augmented samples as queries to guide adversarial training. Inspired by previous works in supervised AT, we then incorporate a self-supervised double perturbation scheme to self-supervised learning (SSL), which promotes robustness transferable to downstream classification. Our work can be seamlessly combined with models pretrained by different SSL frameworks without revising the learning objectives and helps to bridge the gap between SAT and AT. Our method also improves both robust and natural accuracies across different SSL frameworks. Our code is available at https://github.com/rzzhang222/DAQ-SDP.
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In this paper, we study the statistical and geometrical properties of the Kullback-Leibler divergence with kernel covariance operators (KKL) introduced by [Bach, 2022, Information Theory with Kernel Methods]. Unlike the classical Kullback-Leibler (KL) divergence that involves density ratios, the KKL compares probability distributions through covariance operators (embeddings) in a reproducible kernel Hilbert space (RKHS), and compute the Kullback-Leibler quantum divergence. This novel divergence hence shares parallel but different aspects with both the standard Kullback-Leibler between probability distributions and kernel embeddings metrics such as the maximum mean discrepancy. A limitation faced with the original KKL divergence is its inability to be defined for distributions with disjoint supports. To solve this problem, we propose in this paper a regularised variant that guarantees that divergence is well defined for all distributions. We derive bounds that quantify the deviation of the regularised KKL to the original one, as well as concentration bounds. In addition, we provide a closed-form expression for the regularised KKL, specifically applicable when the distributions consist of finite sets of points, which makes it implementable. Furthermore, we derive a Wasserstein gradient descent scheme of the KKL divergence in the case of discrete distributions, and study empirically its properties to transport a set of points to a target distribution.
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Although significant progress has been made in human video generation, most previous studies focus on either human facial animation or full-body animation, which cannot be directly applied to produce realistic conversational human videos with frequent hand gestures and various facial movements simultaneously. To address these limitations, we propose a 2D human video generation framework, named ShowMaker, capable of generating high-fidelity half-body conversational videos via fine-grained diffusion modeling. We leverage dual-stream diffusion models as the backbone of our framework and carefully design two novel components for crucial local regions (i.e., hands and face) that can be easily integrated into our backbone. Specifically, to handle the challenging hand generation caused by sparse motion guidance, we propose a novel Key Point-based Fine-grained Hand Modeling module by amplifying positional information from raw hand key points and constructing a corresponding key point-based codebook. Moreover, to restore richer facial details in generated results, we introduce a Face Recapture module, which extracts facial texture features and global identity features from the aligned human face and integrates them into the diffusion process for face enhancement. Extensive quantitative and qualitative experiments demonstrate the superior visual quality and temporal consistency of our method.
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Reinforcement learning from human feedback (RLHF) is a prevalent approach to align AI systems with human values by learning rewards from human preference data. Due to various reasons, however, such data typically takes the form of rankings over pairs of trajectory segments, which fails to capture the varying strengths of preferences across different pairs. In this paper, we propose a novel adaptive preference loss, underpinned by distributionally robust optimization (DRO), designed to address this uncertainty in preference strength. By incorporating an adaptive scaling parameter into the loss for each pair, our method increases the flexibility of the reward function. Specifically, it assigns small scaling parameters to pairs with ambiguous preferences, leading to more comparable rewards, and large scaling parameters to those with clear preferences for more distinct rewards. Computationally, our proposed loss function is strictly convex and univariate with respect to each scaling parameter, enabling its efficient optimization through a simple second-order algorithm. Our method is versatile and can be readily adapted to various preference optimization frameworks, including direct preference optimization (DPO). Our experiments with robotic control and natural language generation with large language models (LLMs) show that our method not only improves policy performance but also aligns reward function selection more closely with policy optimization, simplifying the hyperparameter tuning process.
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Neural ODEs (NODEs) are continuous-time neural networks (NNs) that can process data without the limitation of time intervals. They have advantages in learning and understanding the evolution of complex real dynamics. Many previous works have focused on NODEs in concise forms, while numerous physical systems taking straightforward forms in fact belong to their more complex quasi-classes, thus appealing to a class of general NODEs with high scalability and flexibility to model those systems. This however may result in intricate nonlinear properties. In this paper, we introduce ControlSynth Neural ODEs (CSODEs). We show that despite their highly nonlinear nature, convergence can be guaranteed via tractable linear inequalities. In the composition of CSODEs, we introduce an extra control term for learning the potential simultaneous capture of dynamics at different scales, which could be particularly useful for partial differential equation-formulated systems. Finally, we compare several representative NNs with CSODEs on important physical dynamics under the inductive biases of CSODEs, and illustrate that CSODEs have better learning and predictive abilities in these settings.
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Despite ongoing efforts to defend neural classifiers from adversarial attacks, they remain vulnerable, especially to unseen attacks. In contrast, humans are difficult to be cheated by subtle manipulations, since we make judgments only based on essential factors. Inspired by this observation, we attempt to model label generation with essential label-causative factors and incorporate label-non-causative factors to assist data generation. For an adversarial example, we aim to discriminate the perturbations as non-causative factors and make predictions only based on the label-causative factors. Concretely, we propose a casual diffusion model (CausalDiff) that adapts diffusion models for conditional data generation and disentangles the two types of casual factors by learning towards a novel casual information bottleneck objective. Empirically, CausalDiff has significantly outperformed state-of-the-art defense methods on various unseen attacks, achieving an average robustness of 86.39\% (+4.01\%) on CIFAR-10, 56.25\% (+3.13\%) on CIFAR-100, and 82.62\% (+4.93\%) on GTSRB (German Traffic Sign Recognition Benchmark).
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While large language models (LLMs) showcase unprecedented capabilities, they also exhibit certain inherent limitations when facing seemingly trivial tasks. A prime example is the recently debated "reversal curse", which surfaces when models, having been trained on the fact "A is B", struggle to generalize this knowledge to infer that "B is A". In this paper, we examine the manifestation of the reversal curse across various tasks and delve into both the generalization abilities and the problem-solving mechanisms of LLMs. This investigation leads to a series of significant insights: (1) LLMs are able to generalize to "B is A" when both A and B are presented in the context as in the case of a multiple-choice question. (2) This generalization ability is highly correlated to the structure of the fact "A is B" in the training documents. For example, this generalization only applies to biographies structured in "[Name] is [Description]" but not to "[Description] is [Name]". (3) We propose and verify the hypothesis that LLMs possess an inherent bias in fact recalling during knowledge application, which explains and underscores the importance of the document structure to successful learning. (4) The negative impact of this bias on the downstream performance of LLMs can hardly be mitigated through training alone. Based on these intriguing findings, our work not only presents a novel perspective for interpreting LLMs' generalization abilities from their intrinsic working mechanism but also provides new insights for the development of more effective learning methods for LLMs.
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Despite the widespread use of statistical prior models in various fields, such models for neural network gradients have long been overlooked. The inherent challenge stems from their high-dimensional structures and complex interdependencies, which complicate effective modeling. In this work, we demonstrate the potential of large language models (LLMs) to act as gradient priors in a zero-shot setting. We examine the property by considering lossless gradient compression -- a critical application in distributed learning -- that depends heavily on precise probability modeling. To achieve this, we introduce LM-GC, a novel method that integrates LLMs with arithmetic coding. Our technique converts plain gradients into text-like formats, enhancing token efficiency by up to 38 times compared to their plain representations. We ensure that this data conversion maintains a close alignment with the structure of plain gradients and the symbols commonly recognized by LLMs. Our experiments indicate that LM-GC surpasses existing state-of-the-art lossless compression methods, improving compression rates by 10\% up to 21\% across various datasets and architectures. Additionally, our approach shows promising compatibility with lossy compression techniques such as quantization and sparsification. These findings highlight the significant potential of LLMs as a model for effectively handling gradients. We will release the source code upon publication.
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Recent advancements in 2D/3D generative techniques have facilitated the generation of dynamic 3D objects from monocular videos. Previous methods mainly rely on the implicit neural radiance fields (NeRF) or explicit Gaussian Splatting as the underlying representation, and struggle to achieve satisfactory spatial-temporal consistency and surface appearance. Drawing inspiration from modern 3D animation pipelines, we introduce DreamMesh4D, a novel framework combining mesh representation with geometric skinning technique to generate high-quality 4D object from a monocular video. Instead of utilizing classical texture map for appearance, we bind Gaussian splats to triangle face of mesh for differentiable optimization of both the texture and mesh vertices. In particular, DreamMesh4D begins with a coarse mesh obtained through an image-to-3D generation procedure. Sparse points are then uniformly sampled across the mesh surface, and are used to build a deformation graph to drive the motion of the 3D object for the sake of computational efficiency and providing additional constraint. For each step, transformations of sparse control points are predicted using a deformation network, and the mesh vertices as well as the surface Gaussians are deformed via a novel geometric skinning algorithm. The skinning algorithm is a hybrid approach combining LBS (linear blending skinning) and DQS (dual-quaternion skinning), mitigating drawbacks associated with both approaches. The static surface Gaussians and mesh vertices as well as the dynamic deformation network are learned via reference view photometric loss, score distillation loss as well as other regularization losses in a two-stage manner. Extensive experiments demonstrate superior performance of our method in terms of both rendering quality and spatial-temporal consistency. Furthermore, our method is compatible with modern graphic pipelines, showcasing its potential in the 3D gaming and film industry.
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In bandit best-arm identification, an algorithm is tasked with finding the arm with highest mean reward with a specified accuracy as fast as possible. We study multi-fidelity best-arm identification, in which the algorithm can choose to sample an arm at a lower fidelity (less accurate mean estimate) for a lower cost. Several methods have been proposed for tackling this problem, but their optimality remain elusive, notably due to loose lower bounds on the total cost needed to identify the best arm. Our first contribution is a tight, instance-dependent lower bound on the cost complexity. The study of the optimization problem featured in the lower bound provides new insights to devise computationally efficient algorithms, and leads us to propose a gradient-based approach with asymptotically optimal cost complexity. We demonstrate the benefits of the new algorithm compared to existing methods in experiments. Our theoretical and empirical findings also shed light on an intriguing concept of optimal fidelity for each arm.
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Large vision-language models (LVLMs) are ignorant of the up-to-date knowledge, such as LLaVA series, because they cannot be updated frequently due to the large amount of resources required, and therefore fail in many cases. For example, if a LVLM was released on January 2024, and it wouldn't know the singer of the theme song for the new Detective Conan movie, which wasn't released until April 2024. To solve the problem, a promising solution motivated by retrieval-augmented generation (RAG) is to provide LVLMs with up-to-date knowledge via internet search during inference, i.e., internet-augmented generation (IAG), which is already integrated in some closed-source commercial LVLMs such as GPT-4V. However, the specific mechanics underpinning them remain a mystery. In this paper, we propose a plug-and-play framework, for augmenting existing LVLMs in handling visual question answering (VQA) about up-to-date knowledge, dubbed SearchLVLMs. A hierarchical filtering model is trained to effectively and efficiently find the most helpful content from the websites returned by a search engine to prompt LVLMs with up-to-date knowledge. To train the model and evaluate our framework's performance, we propose a pipeline to automatically generate news-related VQA samples to construct a dataset, dubbed UDK-VQA. A multi-model voting mechanism is introduced to label the usefulness of website/content for VQA samples to construct the training set. Experimental results demonstrate the effectiveness of our framework, outperforming GPT-4o by $\sim$30\% in accuracy.
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This paper presents VideoStreaming, an advanced vision-language large model (VLLM) for video understanding, that capably understands arbitrary-length video with a constant number of video tokens streamingly encoded and adaptively selected. The challenge of video understanding in the vision language area mainly lies in the significant computational burden caused by the great number of tokens extracted from long videos. Previous works rely on sparse sampling or frame compression to reduce tokens. However, such approaches either disregard temporal information in a long time span or sacrifice spatial details, resulting in flawed compression. To address these limitations, our VideoStreaming has two core designs: Memory-Propagated Streaming Encoding and Adaptive Memory Selection. The Memory-Propagated Streaming Encoding architecture segments long videos into short clips and sequentially encodes each clip with a propagated memory. In each iteration, we utilize the encoded results of the preceding clip as historical memory, which is integrated with the current clip to distill a condensed representation that encapsulates the video content up to the current timestamp. This method not only incorporates long-term temporal dynamics into the streaming encoding process but also yields a fixed-length memory as a global representation for arbitrarily long videos. After the encoding process, the Adaptive Memory Selection strategy selects a constant number of question-related memories from all the historical memories, and feeds them into the LLM to generate informative responses. The question-related selection reduces redundancy within the memories, enabling efficient and precise video understanding. Meanwhile, the disentangled video extraction and reasoning design allows the LLM to answer different questions about a video by directly selecting corresponding memories, without the need to encode the whole video for each question. Through extensive experiments, our model achieves superior performance and higher efficiency on long video benchmarks, showcasing precise temporal comprehension for detailed question answering.
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We introduce a novel reinforcement learning framework of LLM agents named AGILE (AGent that Interacts and Learns from Environments) designed to perform complex conversational tasks with users, leveraging LLMs, memory, tools, and interactions with experts. The agent possesses capabilities beyond conversation, including reflection, tool usage, and expert consultation. We formulate the construction of such an LLM agent as a reinforcement learning (RL) problem, in which the LLM serves as the policy model. We fine-tune the LLM using labeled data of actions and the PPO algorithm. We focus on question answering and release a dataset for agents called ProductQA, comprising challenging questions in online shopping. Our extensive experiments on ProductQA, MedMCQA and HotPotQA show that AGILE agents based on 7B and 13B LLMs trained with PPO can outperform GPT-4 agents. Our ablation study highlights the indispensability of memory, tools, consultation, reflection, and reinforcement learning in achieving the agent's strong performance. Datasets and code are available at https://github.com/bytarnish/AGILE.
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While neural networks can enjoy an outstanding flexibility and exhibit unprecedented performance, the mechanism behind their behavior is still not well-understood. To tackle this fundamental challenge, researchers have tried to restrict and manipulate some of their properties in order to gain new insights and better control on them. Especially, throughout the past few years, the concept of *bi-Lipschitzness* has been proved as a beneficial inductive bias in many areas. However, due to its complexity, the design and control of bi-Lipschitz architectures are falling behind, and a model that is precisely designed for bi-Lipschitzness realizing a direct and simple control of the constants along with solid theoretical analysis is lacking. In this work, we investigate and propose a novel framework for bi-Lipschitzness that can achieve such a clear and tight control based on convex neural networks and the Legendre-Fenchel duality. Its desirable properties are illustrated with concrete experiments to illustrate its broad range of applications.
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We propose Manifold Free-Form Flows (M-FFF), a simple new generative model for data on manifolds. The existing approaches to learning a distribution on arbitrary manifolds are expensive at inference time, since sampling requires solving a differential equation. Our method overcomes this limitation by sampling in a single function evaluation. The key innovation is to optimize a neural network via maximum likelihood on the manifold, possible by adapting the free-form flow framework to Riemannian manifolds. M-FFF is straightforwardly adapted to any manifold with a known projection. It consistently matches or outperforms previous single-step methods specialized to specific manifolds. It is typically two orders of magnitude faster than multi-step methods based on diffusion or flow matching, achieving better likelihoods in several experiments. We provide our code at https://github.com/vislearn/FFF.
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Data-driven autonomous driving motion generation tasks are frequently impacted by the limitations of dataset size and the domain gap between datasets, which precludes their extensive application in real-world scenarios. To address this issue, we introduce SMART, a novel autonomous driving motion generation paradigm that models vectorized map and agent trajectory data into discrete sequence tokens. These tokens are then processed through a decoder-only transformer architecture to train for the next token prediction task across spatial-temporal series. This GPT-style method allows the model to learn the motion distribution in real driving scenarios. SMART achieves state-of-the-art performance across most of the metrics on the generative Sim Agents challenge, ranking 1st on the leaderboards of Waymo Open Motion Dataset (WOMD), demonstrating remarkable inference speed. Moreover, SMART represents the generative model in the autonomous driving motion domain, exhibiting zero-shot generalization capabilities: Using only the NuPlan dataset for training and WOMD for validation, SMART achieved a competitive score of 0.72 on the Sim Agents challenge. Lastly, we have collected over 1 billion motion tokens from multiple datasets, validating the model's scalability. These results suggest that SMART has initially emulated two important properties: scalability and zero-shot generalization, and preliminarily meets the needs of large-scale real-time simulation applications. We have released all the code to promote the exploration of models for motion generation in the autonomous driving field. The source code is available at https://github.com/rainmaker22/SMART.
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In reinforcement learning with image-based inputs, it is crucial to establish a robust and generalizable state representation. Recent advancements in metric learning, such as deep bisimulation metric approaches, have shown promising results in learning structured low-dimensional representation space from pixel observations, where the distance between states is measured based on task-relevant features. However, these approaches face challenges in demanding generalization tasks and scenarios with non-informative rewards. This is because they fail to capture sufficient long-term information in the learned representations. To address these challenges, we propose a novel State Chrono Representation (SCR) approach. SCR augments state metric-based representations by incorporating extensive temporal information into the update step of bisimulation metric learning. It learns state distances within a temporal framework that considers both future dynamics and cumulative rewards over current and long-term future states. Our learning strategy effectively incorporates future behavioral information into the representation space without introducing a significant number of additional parameters for modeling dynamics. Extensive experiments conducted in DeepMind Control and Meta-World environments demonstrate that SCR achieves better performance comparing to other recent metric-based methods in demanding generalization tasks. The codes of SCR are available in https://github.com/jianda-chen/SCR.
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Inverse Reinforcement Learning (IRL) deals with the problem of deducing a reward function that explains the behavior of an expert agent who is assumed to act *optimally* in an underlying unknown task. Recent works have studied the IRL problem from the perspective of recovering the *feasible reward set*, i.e., the class of reward functions that are compatible with a unique optimal expert. However, in several problems of interest it is possible to observe the behavior of multiple experts with different degree of optimality (e.g., racing drivers whose skills ranges from amateurs to professionals). For this reason, in this work, we focus on the reconstruction of the feasible reward set when, in addition to demonstrations from the optimal expert, we observe the behavior of multiple *sub-optimal experts*. Given this problem, we first study the theoretical properties showing that the presence of multiple sub-optimal experts, in addition to the optimal one, can significantly shrink the set of compatible rewards, ultimately mitigating the inherent ambiguity of IRL. Furthermore, we study the statistical complexity of estimating the feasible reward set with a generative model and analyze a uniform sampling algorithm that turns out to be minimax optimal whenever the sub-optimal experts' performance level is sufficiently close to that of the optimal expert.
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In pioneering work from 2019, Barceló and coauthors identified logics that precisely match the expressive power of constant iteration-depth graph neural networks (GNNs) relative to properties definable in first-order logic. In this article, we give exact logical characterizations of recurrent GNNs in two scenarios: (1) in the setting with floating-point numbers and (2) with reals. For floats, the formalism matching recurrent GNNs is a rule-based modal logic with counting, while for reals we use a suitable infinitary modal logic, also with counting. These results give exact matches between logics and GNNs in the recurrent setting without relativising to a background logic in either case, but using some natural assumptions about floating-point arithmetic. Applying our characterizations, we also prove that, relative to graph properties definable in monadic second-order logic (MSO), our infinitary and rule-based logics are equally expressive. This implies that recurrent GNNs with reals and floats have the same expressive power over MSO-definable properties and shows that, for such properties, also recurrent GNNs with reals are characterized by a (finitary!) rule-based modal logic. In the general case, in contrast, the expressive power with floats is weaker than with reals. In addition to logic-oriented results, we also characterize recurrent GNNs, with both reals and floats, via distributed automata, drawing links to distributed computing models.
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Large language models (LLMs) have emerged as a cornerstone in real-world applications with lengthy streaming inputs (e.g., LLM-driven agents). However, existing LLMs, pre-trained on sequences with a restricted maximum length, cannot process longer sequences due to the out-of-domain and distraction issues. Common solutions often involve continual pre-training on longer sequences, which will introduce expensive computational overhead and uncontrollable change in model capabilities. In this paper, we unveil the intrinsic capacity of LLMs for understanding extremely long sequences without any fine-tuning. To this end, we introduce a training-free memory-based method, InfLLM. Specifically, InfLLM stores distant contexts into additional memory units and employs an efficient mechanism to lookup token-relevant units for attention computation. Thereby, InfLLM allows LLMs to efficiently process long sequences with a limited context window and well capture long-distance dependencies. Without any training, InfLLM enables LLMs that are pre-trained on sequences consisting of a few thousand tokens to achieve comparable performance with competitive baselines that continually train these LLMs on long sequences. Even when the sequence length is scaled to 1,024K, InfLLM still effectively captures long-distance dependencies. Our code can be found at https://github.com/thunlp/InfLLM.
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To determine the safety of large language models (LLMs), AI developers must be able to assess their dangerous capabilities. But simple prompting strategies often fail to elicit an LLM’s full capabilities. One way to elicit capabilities more robustly is to fine-tune the LLM to complete the task. In this paper, we investigate the conditions under which fine-tuning-based elicitation suffices to elicit capabilities. To do this, we introduce password-locked models, LLMs fine-tuned such that some of their capabilities are deliberately hidden. Specifically, these LLMs are trained to exhibit these capabilities only when a password is present in the prompt, and to imitate a much weaker LLM otherwise. Password-locked models enable a novel method of evaluating capabilities elicitation methods, by testing whether these password-locked capabilities can be elicited without using the password. We find that a few high-quality demonstrations are often sufficient to fully elicit password-locked capabilities. More surprisingly, fine-tuning can elicit other capabilities that have been locked using the same password, or even different passwords. Furthermore, when only evaluations, and not demonstrations, are available, approaches like reinforcement learning are still often able to elicit capabilities. Overall, our findings suggest that fine-tuning is an effective method of eliciting hidden capabilities of current models but may be unreliable when high-quality demonstrations are not available, e.g., as may be the case when models’ (hidden) capabilities exceed those of human demonstrators.
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Due to privacy and security concerns, recent advancements in group fairness advocate for model training regardless of demographic information. However, most methods still require prior knowledge of demographics. In this study, we explore the potential for achieving fairness without compromising its utility when no prior demographics are provided to the training set, namely _harmless Rawlsian fairness_. We ascertain that such a fairness requirement with no prior demographic information essential promotes training losses to exhibit a Dirac delta distribution. To this end, we propose a simple but effective method named VFair to minimize the variance of training losses inside the optimal set of empirical losses. This problem is then optimized by a tailored dynamic update approach that operates in both loss and gradient dimensions, directing the model towards relatively fairer solutions while preserving its intact utility. Our experimental findings indicate that regression tasks, which are relatively unexplored from literature, can achieve significant fairness improvement through VFair regardless of any prior, whereas classification tasks usually do not because of their quantized utility measurements. The implementation of our method is publicly available at https://github.com/wxqpxw/VFair.
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Motion modeling is critical in flow-based Video Frame Interpolation (VFI). Existing paradigms either consider linear combinations of bidirectional flows or directly predict bilateral flows for given timestamps without exploring favorable motion priors, thus lacking the capability of effectively modeling spatiotemporal dynamics in real-world videos. To address this limitation, in this study, we introduce Generalizable Implicit Motion Modeling (GIMM), a novel and effective approach to motion modeling for VFI. Specifically, to enable GIMM as an effective motion modeling paradigm, we design a motion encoding pipeline to model spatiotemporal motion latent from bidirectional flows extracted from pre-trained flow estimators, effectively representing input-specific motion priors. Then, we implicitly predict arbitrary-timestep optical flows within two adjacent input frames via an adaptive coordinate-based neural network, with spatiotemporal coordinates and motion latent as inputs. Our GIMM can be easily integrated with existing flow-based VFI works by supplying accurately modeled motion. We show that GIMM performs better than the current state of the art on standard VFI benchmarks.
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Skeleton-based multi-entity action recognition is a challenging task aiming to identify interactive actions or group activities involving multiple diverse entities. Existing models for individuals often fall short in this task due to the inherent distribution discrepancies among entity skeletons, leading to suboptimal backbone optimization. To this end, we introduce a Convex Hull Adaptive Shift based multi-Entity action recognition method (CHASE), which mitigates inter-entity distribution gaps and unbiases subsequent backbones. Specifically, CHASE comprises a learnable parameterized network and an auxiliary objective. The parameterized network achieves plausible, sample-adaptive repositioning of skeleton sequences through two key components. First, the Implicit Convex Hull Constrained Adaptive Shift ensures that the new origin of the coordinate system is within the skeleton convex hull. Second, the Coefficient Learning Block provides a lightweight parameterization of the mapping from skeleton sequences to their specific coefficients in convex combinations. Moreover, to guide the optimization of this network for discrepancy minimization, we propose the Mini-batch Pair-wise Maximum Mean Discrepancy as the additional objective. CHASE operates as a sample-adaptive normalization method to mitigate inter-entity distribution discrepancies, thereby reducing data bias and improving the subsequent classifier's multi-entity action recognition performance. Extensive experiments on six datasets, including NTU Mutual 11/26, H2O, Assembly101, Collective Activity and Volleyball, consistently verify our approach by seamlessly adapting to single-entity backbones and boosting their performance in multi-entity scenarios. Our code is publicly available at https://github.com/Necolizer/CHASE .
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Temporal Knowledge Graph (TKG) representation learning aims to map temporal evolving entities and relations to embedded representations in a continuous low-dimensional vector space. However, existing approaches cannot capture the temporal evolution of high-order correlations in TKGs. To this end, we propose a **D**eep **E**volutionary **C**lustering jointed temporal knowledge graph **R**epresentation **L**earning approach (**DECRL**). Specifically, a deep evolutionary clustering module is proposed to capture the temporal evolution of high-order correlations among entities. Furthermore, a cluster-aware unsupervised alignment mechanism is introduced to ensure the precise one-to-one alignment of soft overlapping clusters across timestamps, thereby maintaining the temporal smoothness of clusters. In addition, an implicit correlation encoder is introduced to capture latent correlations between any pair of clusters under the guidance of a global graph. Extensive experiments on seven real-world datasets demonstrate that DECRL achieves the state-of-the-art performances, outperforming the best baseline by an average of 9.53\%, 12.98\%, 10.42\%, and 14.68\% in MRR, Hits@1, Hits@3, and Hits@10, respectively.
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Although transformer-based methods have achieved great success in multi-scale temporal pattern interaction modeling, two key challenges limit their further development: (1) Individual time points contain less semantic information, and leveraging attention to model pair-wise interactions may cause the information utilization bottleneck. (2) Multiple inherent temporal variations (e.g., rising, falling, and fluctuating) entangled in temporal patterns. To this end, we propose Adaptive Multi-Scale Hypergraph Transformer (Ada-MSHyper) for time series forecasting. Specifically, an adaptive hypergraph learning module is designed to provide foundations for modeling group-wise interactions, then a multi-scale interaction module is introduced to promote more comprehensive pattern interactions at different scales. In addition, a node and hyperedge constraint mechanism is introduced to cluster nodes with similar semantic information and differentiate the temporal variations within each scales. Extensive experiments on 11 real-world datasets demonstrate that Ada-MSHyper achieves state-of-the-art performance, reducing prediction errors by an average of 4.56%, 10.38%, and 4.97% in MSE for long-range, short-range, and ultra-long-range time series forecasting, respectively. Code is available at https://github.com/shangzongjiang/Ada-MSHyper.
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Federated learning (FL) is a learning paradigm that enables collaborative training of models using decentralized data. Recently, the utilization of pre-trained weight initialization in FL has been demonstrated to effectively improve model performance. However, the evolving complexity of current pre-trained models, characterized by a substantial increase in parameters, markedly intensifies the challenges associated with communication rounds required for their adaptation to FL. To address these communication cost issues and increase the performance of pre-trained model adaptation in FL, we propose an innovative model interpolation-based local training technique called ``Local Superior Soups.'' Our method enhances local training across different clients, encouraging the exploration of a connected low-loss basin within a few communication rounds through regularized model interpolation. This approach acts as a catalyst for the seamless adaptation of pre-trained models in in FL. We demonstrated its effectiveness and efficiency across diverse widely-used FL datasets.
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Sparse Mixture of Experts (SMoE) has become the key to unlocking unparalleled scalability in deep learning. SMoE has the potential to exponentially increase in parameter count while maintaining the efficiency of the model by only activating a small subset of these parameters for a given sample. However, it has been observed that SMoE suffers from unstable training and has difficulty adapting to new distributions, leading to the model's lack of robustness to data contamination. To overcome these limitations, we first establish a connection between the dynamics of the expert representations in SMoEs and gradient descent on a multi-objective optimization problem. Leveraging our framework, we then integrate momentum into SMoE and propose a new family of SMoEs, named MomentumSMoE. We theoretically prove and numerically validate that MomentumSMoE is more stable and robust than SMoE. In particular, we verify the advantages of MomentumSMoE over SMoE on a variety of practical tasks including ImageNet-1K object recognition and WikiText-103 language modeling. We demonstrate the applicability of MomentumSMoE to many types of SMoE models, including those in the Sparse MoE model for vision (V-MoE) and the Generalist Language Model (GLaM). We also show that other advanced momentum-based optimization methods, such as Adam, can be easily incorporated into the MomentumSMoE framework for designing new SMoE models with even better performance, almost negligible additional computation cost, and simple implementations.
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Federated learning is a distributed machine learning paradigm designed to protect user data privacy, which has been successfully implemented across various scenarios. In traditional federated learning, the entire parameter set of local models is updated and averaged in each training round. Although this full network update method maximizes knowledge acquisition and sharing for each model layer, it prevents the layers of the global model from cooperating effectively to complete the tasks of each client, a challenge we refer to as layer mismatch. This mismatch problem recurs after every parameter averaging, consequently slowing down model convergence and degrading overall performance. To address the layer mismatch issue, we introduce the FedPart method, which restricts model updates to either a single layer or a few layers during each communication round. Furthermore, to maintain the efficiency of knowledge acquisition and sharing, we develop several strategies to select trainable layers in each round, including sequential updating and multi-round cycle training. Through both theoretical analysis and experiments, our findings demonstrate that the FedPart method significantly surpasses conventional full network update strategies in terms of convergence speed and accuracy, while also reducing communication and computational overheads.
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Mastering games is a hard task, as games can be extremely complex, and still fundamentally different in structure from one another. While the AlphaZero algorithm has demonstrated an impressive ability to learn the rules and strategy of a large variety of games, ranging from Go and Chess, to Atari games, its reliance on extensive computational resources and rigid Convolutional Neural Network (CNN) architecture limits its adaptability and scalability. A model trained to play on a $19\times 19$ Go board cannot be used to play on a smaller $13\times 13$ board, despite the similarity between the two Go variants. In this paper, we focus on Chess, and explore using a more generic Graph-based Representation of a game state, rather than a grid-based one, to introduce a more general architecture based on Graph Neural Networks (GNN). We also expand the classical Graph Attention Network (GAT) layer to incorporate edge-features, to naturally provide a generic policy output format. Our experiments, performed on smaller networks than the initial AlphaZero paper, show that this new architecture outperforms previous architectures with a similar number of parameters, being able to increase playing strength an order of magnitude faster. We also show that the model, when trained on a smaller $5\times 5$ variant of chess, is able to be quickly fine-tuned to play on regular $8\times 8$ chess, suggesting that this approach yields promising generalization abilities. Our code is available at https://github.com/akulen/AlphaGateau.
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The remarkable success of transformers in sequence modeling tasks, spanning various applications in natural language processing and computer vision, is attributed to the critical role of self-attention. Similar to the development of most deep learning models, the construction of these attention mechanisms relies on heuristics and experience. In our work, we derive self-attention from kernel principal component analysis (kernel PCA) and show that self-attention projects its query vectors onto the principal component axes of its key matrix in a feature space. We then formulate the exact formula for the value matrix in self-attention, theoretically and empirically demonstrating that this value matrix captures the eigenvectors of the Gram matrix of the key vectors in self-attention. Leveraging our kernel PCA framework, we propose Attention with Robust Principal Components (RPC-Attention), a novel class of robust attention that is resilient to data contamination. We empirically demonstrate the advantages of RPC-Attention over softmax attention on the ImageNet-1K object classification, WikiText-103 language modeling, and ADE20K image segmentation task.
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Large Language Models (LLMs) are typically harmless but remain vulnerable to carefully crafted prompts known as ``jailbreaks'', which can bypass protective measures and induce harmful behavior. Recent advancements in LLMs have incorporated moderation guardrails that can filter outputs, which trigger processing errors for certain malicious questions. Existing red-teaming benchmarks often neglect to include questions that trigger moderation guardrails, making it difficult to evaluate jailbreak effectiveness. To address this issue, we introduce JAMBench, a harmful behavior benchmark designed to trigger and evaluate moderation guardrails. JAMBench involves 160 manually crafted instructions covering four major risk categories at multiple severity levels. Furthermore, we propose a jailbreak method, JAM (Jailbreak Against Moderation), designed to attack moderation guardrails using jailbreak prefixes to bypass input-level filters and a fine-tuned shadow model functionally equivalent to the guardrail model to generate cipher characters to bypass output-level filters. Our extensive experiments on four LLMs demonstrate that JAM achieves higher jailbreak success ($\sim$ $\times$ 19.88) and lower filtered-out rates ($\sim$ $\times$ 1/6) than baselines.
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3D human shape reconstruction under severe occlusion due to human-object or human-human interaction is a challenging problem. While implicit function methods capture detailed clothed shapes, they require aligned shape priors and or are weak at inpainting occluded regions given an image input. Parametric models i.e. SMPL, instead offer whole body shapes, however, are often misaligned with images. In this work, we propose a novel pipeline composed of a probabilistic SMPL model and point cloud diffusion for pixel-aligned detailed 3D human reconstruction under occlusion. Multiple hypotheses generated by the probabilistic SMPL method are conditioned via continuous 3D shape representations. Point cloud diffusion refines the distribution of 3D points fitted to both the multi-hypothesis shape condition and pixel-aligned image features, offering detailed clothed shapes and inpainting occluded parts of human bodies. In the experiments using the CAPE, MultiHuman and Hi4D datasets, the proposed method outperforms various SOTA methods based on SMPL, implicit functions, point cloud diffusion, and their combined, under synthetic and real occlusions. Our code is publicly available at https://donghwankim0101.github.io/projects/mhcdiff.
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Recently, through a unified gradient flow perspective of Markov chain Monte Carlo (MCMC) and variational inference (VI), particle-based variational inference methods (ParVIs) have been proposed that tend to combine the best of both worlds. While typical ParVIs such as Stein Variational Gradient Descent (SVGD) approximate the gradient flow within a reproducing kernel Hilbert space (RKHS), many attempts have been made recently to replace RKHS with more expressive function spaces, such as neural networks. While successful, these methods are mainly designed for sampling from unconstrained domains. In this paper, we offer a general solution to constrained sampling by introducing a boundary condition for the gradient flow which would confine the particles within the specific domain. This allows us to propose a new functional gradient ParVI method for constrained sampling, called *constrained functional gradient flow* (CFG), with provable continuous-time convergence in total variation (TV). We also present novel numerical strategies to handle the boundary integral term arising from the domain constraints. Our theory and experiments demonstrate the effectiveness of the proposed framework.
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Text-to-Image (T2I) models have made significant advancements in recent years, but they still struggle to accurately capture intricate details specified in complex compositional prompts. While fine-tuning T2I models with reward objectives has shown promise, it suffers from "reward hacking" and may not generalize well to unseen prompt distributions. In this work, we propose Reward-based Noise Optimization (ReNO), a novel approach that enhances T2I models at inference by optimizing the initial noise based on the signal from one or multiple human preference reward models. Remarkably, solving this optimization problem with gradient ascent for 50 iterations yields impressive results on four different one-step models across two competitive benchmarks, T2I-CompBench and GenEval. Within a computational budget of 20-50 seconds, ReNO-enhanced one-step models consistently surpass the performance of all current open-source Text-to-Image models. Extensive user studies demonstrate that our model is preferred nearly twice as often compared to the popular SDXL model and is on par with the proprietary Stable Diffusion 3 with 8B parameters. Moreover, given the same computational resources, a ReNO-optimized one-step model outperforms widely-used open-source models such as SDXL and PixArt-alpha, highlighting the efficiency and effectiveness of ReNO in enhancing T2I model performance at inference time.
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Due to the rapid generation and dissemination of information, large language models (LLMs) quickly run out of date despite enormous development costs. To address the crucial need to keep models updated, online learning has emerged as a critical tool when utilizing LLMs for real-world applications. However, given the ever-expanding corpus of unseen documents and the large parameter space of modern LLMs, efficient adaptation is essential. To address these challenges, we propose Memory of Amortized Contexts (MAC), an efficient and effective online adaptation framework for LLMs with strong knowledge retention. We propose a feature extraction and memory-augmentation approach to compress and extract information from new documents into compact modulations stored in a memory bank. When answering questions, our model attends to and extracts relevant knowledge from this memory bank. To learn informative modulations in an efficient manner, we utilize amortization-based meta-learning, which substitutes an otherwise required optimization process with a single forward pass of the encoder. Subsequently, we learn to choose from and aggregate selected documents into a single modulation by conditioning on the question, allowing us to adapt a frozen language model during test time without requiring further gradient updates. Our experiment demonstrates the superiority of MAC in multiple aspects, including online adaptation performance, time, and memory efficiency. In addition, we show how MAC can be combined with and improve the performance of popular alternatives such as retrieval augmented generations (RAGs). Code is available at: https://github.com/jihoontack/MAC.
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Large pre-trained models excel in zero/few-shot learning for language and vision tasks but face challenges in multivariate time series (TS) forecasting due to diverse data characteristics. Consequently, recent research efforts have focused on developing pre-trained TS forecasting models. These models, whether built from scratch or adapted from large language models (LLMs), excel in zero/few-shot forecasting tasks. However, they are limited by slow performance, high computational demands, and neglect of cross-channel and exogenous correlations. To address this, we introduce Tiny Time Mixers (TTM), a compact model (starting from 1M parameters) with effective transfer learning capabilities, trained exclusively on public TS datasets. TTM, based on the light-weight TSMixer architecture, incorporates innovations like adaptive patching, diverse resolution sampling, and resolution prefix tuning to handle pre-training on varied dataset resolutions with minimal model capacity. Additionally, it employs multi-level modeling to capture channel correlations and infuse exogenous signals during fine-tuning. TTM outperforms existing popular benchmarks in zero/few-shot forecasting by (4-40\%), while reducing computational requirements significantly. Moreover, TTMs are lightweight and can be executed even on CPU-only machines, enhancing usability and fostering wider adoption in resource-constrained environments. The model weights for reproducibility and research use are available at https://huggingface.co/ibm/ttm-research-r2/, while enterprise-use weights under the Apache license can be accessed as follows: the initial TTM-Q variant at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r1, and the latest variants (TTM-B, TTM-E, TTM-A) weights are available at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r2. The source code for the TTM model along with the usage scripts are available at https://github.com/ibm-granite/granite-tsfm/tree/main/tsfm_public/models/tinytimemixer
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Deep learning-based methods significantly advance the exploration of associations among triple-wise biological entities (e.g., drug-target protein-adverse reaction), thereby facilitating drug discovery and safeguarding human health. However, existing researches only focus on entity-centric information mapping and aggregation, neglecting the crucial role of potential association patterns among different entities. To address the above limitation, we propose a novel association pattern-aware fusion method for biological entity relationship prediction, which effectively integrates the related association pattern information into entity representation learning. Additionally, to enhance the missing information of the low-order message passing, we devise a bind-relation module that considers the strong bind of low-order entity associations. Extensive experiments conducted on three biological datasets quantitatively demonstrate that the proposed method achieves about 4%-23% hit@1 improvements compared with state-of-the-art baselines. Furthermore, the interpretability of association patterns is elucidated in detail, thus revealing the intrinsic biological mechanisms and promoting it to be deployed in real-world scenarios. Our data and code are available at https://github.com/hry98kki/PatternBERP.
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Conditional diffusion models can create unseen images in various settings, aiding image interpolation. Interpolation in latent spaces is well-studied, but interpolation with specific conditions like text or image is less understood. Common approaches interpolate linearly in the conditioning space but tend to result in inconsistent images with poor fidelity. This work introduces a novel training-free technique named \textbf{Attention Interpolation via Diffusion (AID)}. AID has two key contributions: \textbf{1)} a fused inner/outer interpolated attention layer to boost image consistency and fidelity; and \textbf{2)} selection of interpolation coefficients via a beta distribution to increase smoothness. Additionally, we present an AID variant called \textbf{Prompt-guided Attention Interpolation via Diffusion (PAID)}, which \textbf{3)} treats interpolation as a condition-dependent generative process. Experiments demonstrate that our method achieves greater consistency, smoothness, and efficiency in condition-based interpolation, aligning closely with human preferences. Furthermore, PAID offers substantial benefits for compositional generation, controlled image editing, image morphing and image-controlled generation, all while remaining training-free.
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Laplace approximations are popular techniques for endowing deep networks with epistemic uncertainty estimates as they can be applied without altering the predictions of the trained network, and they scale to large models and datasets. While the choice of prior strongly affects the resulting posterior distribution, computational tractability and lack of interpretability of the weight space typically limit the Laplace approximation to isotropic Gaussian priors, which are known to cause pathological behavior as depth increases. As a remedy, we directly place a prior on function space. More precisely, since Lebesgue densities do not exist on infinite-dimensional function spaces, we recast training as finding the so-called weak mode of the posterior measure under a Gaussian process (GP) prior restricted to the space of functions representable by the neural network. Through the GP prior, one can express structured and interpretable inductive biases, such as regularity or periodicity, directly in function space, while still exploiting the implicit inductive biases that allow deep networks to generalize. After model linearization, the training objective induces a negative log-posterior density to which we apply a Laplace approximation, leveraging highly scalable methods from matrix-free linear algebra. Our method provides improved results where prior knowledge is abundant (as is the case in many scientific inference tasks). At the same time, it stays competitive for black-box supervised learning problems, where neural networks typically excel.
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Large vision language models, such as CLIP, demonstrate impressive robustness to spurious features than single-modal models trained on ImageNet. However, existing test datasets are typically curated based on ImageNet-trained models, which aim to capture the spurious features inherited in ImageNet. Benchmarking CLIP models based on the ImageNet-oriented spurious features may not be sufficient to reflect the extent to which CLIP models are robust to spurious correlations within CLIP training data, e.g., LAION. To this end, we craft a new challenging dataset named CounterAnimal designed to reveal the reliance of CLIP models on realistic spurious features. Specifically, we split animal photos into groups according to the backgrounds, and then identify a pair of groups for each class where a CLIP model shows high-performance drops across the two groups. Our evaluations show that the spurious features captured by CounterAnimal are generically learned by CLIP models with different backbones and pre-train data, yet have limited influence for ImageNet models. We provide theoretical insights that the CLIP objective cannot offer additional robustness. Furthermore, we also re-evaluate strategies such as scaling up parameters and high-quality pre-trained data. We find that they still help mitigate the spurious features, providing a promising path for future developments.
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Multimodal Large Language Models (MLLMs) have gained significant attention due to their impressive capabilities in multimodal understanding. However, existing methods rely heavily on extensive modal-specific pretraining and joint-modal tuning, leading to significant computational burdens when expanding to new modalities. In this paper, we propose \textbf{PathWeave}, a flexible and scalable framework with modal-\textbf{path} s\textbf{w}itching and \textbf{e}xp\textbf{a}nsion abilities that enables MLLMs to continually \textbf{ev}olve on modalities for $\mathbb{X}$-modal reasoning. We leverage the concept of Continual Learning and develop an incremental training strategy atop pre-trained MLLMs, enabling their expansion to new modalities using uni-modal data, without executing joint-modal pretraining. In detail, a novel Adapter-in-Adapter (AnA) framework is introduced, in which uni-modal and cross-modal adapters are seamlessly integrated to facilitate efficient modality alignment and collaboration. Additionally, an MoE-based gating module is applied between two types of adapters to further enhance the multimodal interaction. To investigate the proposed method, we establish a challenging benchmark called \textbf{C}ontinual \textbf{L}earning of \textbf{M}odality (MCL), which consists of high-quality QA data from five distinct modalities: image, video, \textcolor{black}{audio, depth} and point cloud. Extensive experiments demonstrate the effectiveness of the proposed AnA framework on learning plasticity and memory stability during continual learning. Furthermore, PathWeave performs comparably to state-of-the-art MLLMs while concurrently reducing parameter training burdens by 98.73\%. Our code locates at \url{https://github.com/JiazuoYu/PathWeave}.
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The recently-proposed framework of Predict+Optimize tackles optimization problems with parameters that are unknown at solving time, in a supervised learning setting. Prior frameworks consider only the scenario where all unknown parameters are (eventually) revealed simultaneously. In this work, we propose Multi-Stage Predict+Optimize, a novel extension catering to applications where unknown parameters are revealed in sequential stages, with optimization decisions made in between. We further develop three training algorithms for neural networks (NNs) for our framework as proof of concept, both of which handle all mixed integer linear programs. The first baseline algorithm is a natural extension of prior work, training a single NN which makes a single prediction of unknown parameters. The second and third algorithms instead leverage the possibility of updating parameter predictions between stages, and trains one NN per stage. To handle the interdependency between the neural networks, we adopt sequential and parallelized versions of coordinate descent for training. Experimentation on three benchmarks demonstrates the superior learning performance of our methods over classical approaches.
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Eliciting a high-dimensional probability distribution from an expert via noisy judgments is notoriously challenging, yet useful for many applications, such as prior elicitation and reward modeling. We introduce a method for eliciting the expert's belief density as a normalizing flow based solely on preferential questions such as comparing or ranking alternatives. This allows eliciting in principle arbitrarily flexible densities, but flow estimation is susceptible to the challenge of collapsing or diverging probability mass that makes it difficult in practice. We tackle this problem by introducing a novel functional prior for the flow, motivated by a decision-theoretic argument, and show empirically that the belief density can be inferred as the function-space maximum a posteriori estimate. We demonstrate our method by eliciting multivariate belief densities of simulated experts, including the prior belief of a general-purpose large language model over a real-world dataset.
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In this paper, we introduce **Era3D**, a novel multiview diffusion method that generates high-resolution multiview images from a single-view image. Despite significant advancements in multiview generation, existing methods still suffer from camera prior mismatch, inefficacy, and low resolution, resulting in poor-quality multiview images. Specifically, these methods assume that the input images should comply with a predefined camera type, e.g. a perspective camera with a fixed focal length, leading to distorted shapes when the assumption fails. Moreover, the full-image or dense multiview attention they employ leads to a dramatic explosion of computational complexity as image resolution increases, resulting in prohibitively expensive training costs. To bridge the gap between assumption and reality, Era3D first proposes a diffusion-based camera prediction module to estimate the focal length and elevation of the input image, which allows our method to generate images without shape distortions. Furthermore, a simple but efficient attention layer, named row-wise attention, is used to enforce epipolar priors in the multiview diffusion, facilitating efficient cross-view information fusion. Consequently, compared with state-of-the-art methods, Era3D generates high-quality multiview images with up to a 512×512 resolution while reducing computation complexity of multiview attention by 12x times. Comprehensive experiments demonstrate the superior generation power of Era3D- it can reconstruct high-quality and detailed 3D meshes from diverse single-view input images, significantly outperforming baseline multiview diffusion methods.
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Algorithms for bilevel optimization often encounter Hessian computations, which are prohibitive in high dimensions. While recent works offer first-order methods for unconstrained bilevel problems, the constrained setting remains relatively underexplored. We present first-order linearly constrained optimization methods with finite-time hypergradient stationarity guarantees. For linear equality constraints, we attain $\epsilon$-stationarity in $\widetilde{O}(\epsilon^{-2})$ gradient oracle calls, which is nearly-optimal. For linear inequality constraints, we attain $(\delta,\epsilon)$-Goldstein stationarity in $\widetilde{O}(d{\delta^{-1} \epsilon^{-3}})$ gradient oracle calls, where $d$ is the upper-level dimension. Finally, we obtain for the linear inequality setting dimension-free rates of $\widetilde{O}({\delta^{-1} \epsilon^{-4}})$ oracle complexity under the additional assumption of oracle access to the optimal dual variable. Along the way, we develop new nonsmooth nonconvex optimization methods with inexact oracles. Our numerical experiments verify these guarantees.
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Text-to-image diffusion has attracted vast attention due to its impressive image-generation capabilities. However, when it comes to human-centric text-to-image generation, particularly in the context of faces and hands, the results often fall short of naturalness due to insufficient training priors. We alleviate the issue in this work from two perspectives. 1) From the data aspect, we carefully collect a human-centric dataset comprising over one million high-quality human-in-the-scene images and two specific sets of close-up images of faces and hands. These datasets collectively provide a rich prior knowledge base to enhance the human-centric image generation capabilities of the diffusion model. 2) On the methodological front, we propose a simple yet effective method called Mixture of Low-rank Experts (MoLE) by considering low-rank modules trained on close-up hand and face images respectively as experts. This concept draws inspiration from our observation of low-rank refinement, where a low-rank module trained by a customized close-up dataset has the potential to enhance the corresponding image part when applied at an appropriate scale. To validate the superiority of MoLE in the context of human-centric image generation compared to state-of-the-art, we construct two benchmarks and perform evaluations with diverse metrics and human studies. Datasets, model, and code are released at https://sites.google.com/view/mole4diffuser/.
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Reinforcement learning from human feedback (RLHF) is widely used to train large language models (LLMs). However, it is unclear whether LLMs accurately learn the underlying preferences in human feedback data. We coin the term **Learned Feedback Pattern** (LFP) for patterns in an LLM's activations learned during RLHF that improve its performance on the fine-tuning task. We hypothesize that LLMs with LFPs accurately aligned to the fine-tuning feedback exhibit consistent activation patterns for outputs that would have received similar feedback during RLHF. To test this, we train probes to estimate the feedback signal implicit in the activations of a fine-tuned LLM. We then compare these estimates to the true feedback, measuring how accurate the LFPs are to the fine-tuning feedback. Our probes are trained on a condensed, sparse and interpretable representation of LLM activations, making it easier to correlate features of the input with our probe's predictions. We validate our probes by comparing the neural features they correlate with positive feedback inputs against the features GPT-4 describes and classifies as related to LFPs. Understanding LFPs can help minimize discrepancies between LLM behavior and training objectives, which is essential for the **safety** and **alignment** of LLMs.
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Approximate nearest neighbor (ANN) search is a key component in many modern machine learning pipelines; recent use cases include retrieval-augmented generation (RAG) and vector databases. Clustering-based ANN algorithms, that use score computation methods based on product quantization (PQ), are often used in industrial-scale applications due to their scalability and suitability for distributed and disk-based implementations. However, they have slower query times than the leading graph-based ANN algorithms. In this work, we propose a new supervised score computation method based on the observation that inner product approximation is a multivariate (multi-output) regression problem that can be solved efficiently by reduced-rank regression. Our experiments show that on modern high-dimensional data sets, the proposed reduced-rank regression (RRR) method is superior to PQ in both query latency and memory usage. We also introduce LoRANN, a clustering-based ANN library that leverages the proposed score computation method. LoRANN is competitive with the leading graph-based algorithms and outperforms the state-of-the-art GPU ANN methods on high-dimensional data sets.
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Vision-language tracking (VLT) enhances traditional visual object tracking by integrating language descriptions, requiring the tracker to flexibly understand complex and diverse text in addition to visual information. However, most existing vision-language trackers still overly rely on initial fixed multimodal prompts, which struggle to provide effective guidance for dynamically changing targets. Fortunately, the Complementary Learning Systems (CLS) theory suggests that the human memory system can dynamically store and utilize multimodal perceptual information, thereby adapting to new scenarios. Inspired by this, (i) we propose a Memory-based Vision-Language Tracker (MemVLT). By incorporating memory modeling to adjust static prompts, our approach can provide adaptive prompts for tracking guidance. (ii) Specifically, the memory storage and memory interaction modules are designed in accordance with CLS theory. These modules facilitate the storage and flexible interaction between short-term and long-term memories, generating prompts that adapt to target variations. (iii) Finally, we conduct extensive experiments on mainstream VLT datasets (e.g., MGIT, TNL2K, LaSOT and LaSOT$_{ext}$). Experimental results show that MemVLT achieves new state-of-the-art performance. Impressively, it achieves 69.4% AUC on the MGIT and 63.3% AUC on the TNL2K, improving the existing best result by 8.4% and 4.7%, respectively.
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Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges for efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovation. Addressing these challenges, the integration of artificial intelligence with materials science has opened avenues for accelerating the discovery process, though it also demands precise annotation, data extraction, and traceability of information. To tackle these issues, this article introduces the Materials Knowledge Graph (MKG), which utilizes advanced natural language processing techniques, integrated with large language models to extract and systematically organize a decade's worth of high-quality research into structured triples, contains 162,605 nodes and 731,772 edges. MKG categorizes information into comprehensive labels such as Name, Formula, and Application, structured around a meticulously designed ontology, thus enhancing data usability and integration. By implementing network-based algorithms, MKG not only facilitates efficient link prediction but also significantly reduces reliance on traditional experimental methods. This structured approach not only streamlines materials research but also lays the groundwork for more sophisticated materials knowledge graphs.
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Large-vocabulary object detectors (LVDs) aim to detect objects of many categories, which learn super objectness features and can locate objects accurately while applied to various downstream data. However, LVDs often struggle in recognizing the located objects due to domain discrepancy in data distribution and object vocabulary. At the other end, recent vision-language foundation models such as CLIP demonstrate superior open-vocabulary recognition capability. This paper presents KGD, a Knowledge Graph Distillation technique that exploits the implicit knowledge graphs (KG) in CLIP for effectively adapting LVDs to various downstream domains. KGD consists of two consecutive stages: 1) KG extraction that employs CLIP to encode downstream domain data as nodes and their feature distances as edges, constructing KG that inherits the rich semantic relations in CLIP explicitly; and 2) KG encapsulation that transfers the extracted KG into LVDs to enable accurate cross-domain object classification. In addition, KGD can extract both visual and textual KG independently, providing complementary vision and language knowledge for object localization and object classification in detection tasks over various downstream domains. Experiments over multiple widely adopted detection benchmarks show that KGD outperforms the state-of-the-art consistently by large margins. Codes will be released.
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This paper introduces $\textit{Bifröst}$, a novel 3D-aware framework that is built upon diffusion models to perform instruction-based image composition. Previous methods concentrate on image compositing at the 2D level, which fall short in handling complex spatial relationships ($\textit{e.g.}$, occlusion). $\textit{Bifröst}$ addresses these issues by training MLLM as a 2.5D location predictor and integrating depth maps as an extra condition during the generation process to bridge the gap between 2D and 3D, which enhances spatial comprehension and supports sophisticated spatial interactions. Our method begins by fine-tuning MLLM with a custom counterfactual dataset to predict 2.5D object locations in complex backgrounds from language instructions. Then, the image-compositing model is uniquely designed to process multiple types of input features, enabling it to perform high-fidelity image compositions that consider occlusion, depth blur, and image harmonization. Extensive qualitative and quantitative evaluations demonstrate that $\textit{Bifröst}$ significantly outperforms existing methods, providing a robust solution for generating realistically composited images in scenarios demanding intricate spatial understanding. This work not only pushes the boundaries of generative image compositing but also reduces reliance on expensive annotated datasets by effectively utilizing existing resources in innovative ways.
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Unsupervised Domain Adaptation has been an efficient approach to transferring the semantic segmentation model across data distributions. Meanwhile, the recent Open-vocabulary Semantic Scene understanding based on large-scale vision language models is effective in open-set settings because it can learn diverse concepts and categories. However, these prior methods fail to generalize across different camera views due to the lack of cross-view geometric modeling. At present, there are limited studies analyzing cross-view learning. To address this problem, we introduce a novel Unsupervised Cross-view Adaptation Learning approach to modeling the geometric structural change across views in Semantic Scene Understanding. First, we introduce a novel Cross-view Geometric Constraint on Unpaired Data to model structural changes in images and segmentation masks across cameras. Second, we present a new Geodesic Flow-based Correlation Metric to efficiently measure the geometric structural changes across camera views. Third, we introduce a novel view-condition prompting mechanism to enhance the view-information modeling of the open-vocabulary segmentation network in cross-view adaptation learning. The experiments on different cross-view adaptation benchmarks have shown the effectiveness of our approach in cross-view modeling, demonstrating that we achieve State-of-the-Art (SOTA) performance compared to prior unsupervised domain adaptation and open-vocabulary semantic segmentation methods.
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Building a general-purpose agent is a long-standing vision in the field of artificial intelligence. Existing agents have made remarkable progress in many domains, yet they still struggle to complete long-horizon tasks in an open world. We attribute this to the lack of necessary world knowledge and multimodal experience that can guide agents through a variety of long-horizon tasks. In this paper, we propose a Hybrid Multimodal Memory module to address the above challenges. It 1) transforms knowledge into Hierarchical Directed Knowledge Graph that allows agents to explicitly represent and learn world knowledge, and 2) summarises historical information into Abstracted Multimodal Experience Pool that provide agents with rich references for in-context learning. On top of the Hybrid Multimodal Memory module, a multimodal agent, Optimus-1, is constructed with dedicated Knowledge-guided Planner and Experience-Driven Reflector, contributing to a better planning and reflection in the face of long-horizon tasks in Minecraft. Extensive experimental results show that Optimus-1 significantly outperforms all existing agents on challenging long-horizon task benchmarks, and exhibits near human-level performance on many tasks. In addition, we introduce various Multimodal Large Language Models (MLLMs) as the backbone of Optimus-1. Experimental results show that Optimus-1 exhibits strong generalization with the help of the Hybrid Multimodal Memory module, outperforming the GPT-4V baseline on many tasks.
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The security threat of backdoor attacks is a central concern for deep neural networks (DNNs). Recently, without poisoned data, unlearning models with clean data and then learning a pruning mask have contributed to backdoor defense. Additionally, vanilla fine-tuning with those clean data can help recover the lost clean accuracy. However, the behavior of clean unlearning is still under-explored, and vanilla fine-tuning unintentionally induces back the backdoor effect. In this work, we first investigate model unlearning from the perspective of weight changes and gradient norms, and find two interesting observations in the backdoored model: 1) the weight changes between poison and clean unlearning are positively correlated, making it possible for us to identify the backdoored-related neurons without using poisoned data; 2) the neurons of the backdoored model are more active (*i.e.*, larger gradient norm) than those in the clean model, suggesting the need to suppress the gradient norm during fine-tuning. Then, we propose an effective two-stage defense method. In the first stage, an efficient *Neuron Weight Change (NWC)-based Backdoor Reinitialization* is proposed based on observation 1). In the second stage, based on observation 2), we design an *Activeness-Aware Fine-Tuning* to replace the vanilla fine-tuning. Extensive experiments, involving eight backdoor attacks on three benchmark datasets, demonstrate the superior performance of our proposed method compared to recent state-of-the-art backdoor defense approaches. The code is available at https://github.com/linweiii/TSBD.git.
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KV cache stores key and value states from previous tokens to avoid re-computation, yet it demands substantial storage space, especially for long sequences. Adaptive KV cache compression seeks to discern the saliency of tokens, preserving vital information while aggressively compressing those of less importance. However, previous methods of this approach exhibit significant performance degradation at high compression ratios due to inaccuracies in identifying salient tokens. Additionally, the compression process introduces excessive overhead, substantially increasing memory burdens and the generation latency. In this paper, we present ZipCache, an accurate and efficient KV cache quantization method for large language models (LLMs). First, we construct a strong baseline for quantizing KV cache. Through the proposed channel-separable tokenwise quantization scheme, the memory overhead of quantization parameters are substantially reduced compared to fine-grained groupwise quantization. To enhance the compression ratio, we propose normalized attention score as an effective metric for identifying salient tokens by considering the lower triangle characteristics of the attention matrix. The quantization bit-width for each token is then adaptively assigned based on their saliency. Moreover, we develop an efficient approximation method that decouples the saliency metric from full attention scores, enabling compatibility with fast attention implementations like FlashAttention. Extensive experiments demonstrate that ZipCache achieves superior compression ratios, fast generation speed and minimal performance losses compared with previous KV cache compression methods. For instance, when evaluating Mistral-7B model on GSM8k dataset, ZipCache is capable of compressing the KV cache by $4.98\times$, with only a 0.38% drop in accuracy. In terms of efficiency, ZipCache also showcases a 37.3% reduction in prefill-phase latency, a 56.9% reduction in decoding-phase latency, and a 19.8% reduction in GPU memory usage when evaluating LLaMA3-8B model with a input length of 4096. Code is available at https://github.com/ThisisBillhe/ZipCache/.
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Accurate environment dynamics modeling is crucial for obtaining effective state representations in visual reinforcement learning (RL) applications. However, when facing multiple input modalities, existing dynamics modeling methods (e.g., DeepMDP) usually stumble in addressing the complex and volatile relationship between different modalities. In this paper, we study the problem of efficient dynamics modeling for multi-modal visual RL. We find that under the existence of modality heterogeneity, modality-correlated and distinct features are equally important but play different roles in reflecting the evolution of environmental dynamics. Motivated by this fact, we propose Dissected Dynamics Modeling (DDM), a novel multi-modal dynamics modeling method for visual RL. Unlike existing methods, DDM explicitly distinguishes consistent and inconsistent information across modalities and treats them separately with a divide-and-conquer strategy. This is done by dispatching the features carrying different information into distinct dynamics modeling pathways, which naturally form a series of implicit regularizations along the learning trajectories. In addition, a reward predictive function is further introduced to filter task-irrelevant information in both modality-consistent and inconsistent features, ensuring information integrity while avoiding potential distractions. Extensive experiments show that DDM consistently achieves competitive performance in challenging multi-modal visual environments.
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The spiking camera is an emerging neuromorphic vision sensor that records high-speed motion scenes by asynchronously firing continuous binary spike streams. Prevailing image reconstruction methods, generating intermediate frames from these spike streams, often rely on complex step-by-step network architectures that overlook the intrinsic collaboration of spatio-temporal complementary information. In this paper, we propose an efficient spatio-temporal interactive reconstruction network to jointly perform inter-frame feature alignment and intra-frame feature filtering in a coarse-to-fine manner. Specifically, it starts by extracting hierarchical features from a concise hybrid spike representation, then refines the motion fields and target frames scale-by-scale, ultimately obtaining a full-resolution output. Meanwhile, we introduce a symmetric interactive attention block and a multi-motion field estimation block to further enhance the interaction capability of the overall network. Experiments on synthetic and real-captured data show that our approach exhibits excellent performance while maintaining low model complexity.
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Modern vision models are trained on very large noisy datasets. While these models acquire strong capabilities, they may not follow the user's intent to output the desired results in certain aspects, e.g., visual aesthetic, preferred style, and responsibility. In this paper, we target the realm of visual aesthetics and aim to align vision models with human aesthetic standards in a retrieval system. Advanced retrieval systems usually adopt a cascade of aesthetic models as re-rankers or filters, which are limited to low-level features like saturation and perform poorly when stylistic, cultural or knowledge contexts are involved. We find that utilizing the reasoning ability of large language models (LLMs) to rephrase the search query and extend the aesthetic expectations can make up for this shortcoming. Based on the above findings, we propose a preference-based reinforcement learning method that fine-tunes the vision models to distill the knowledge from both LLMs reasoning and the aesthetic models to better align the vision models with human aesthetics. Meanwhile, with rare benchmarks designed for evaluating retrieval systems, we leverage large multi-modality model (LMM) to evaluate the aesthetic performance with their strong abilities. As aesthetic assessment is one of the most subjective tasks, to validate the robustness of LMM, we further propose a novel dataset named HPIR to benchmark the alignment with human aesthetics. Experiments demonstrate that our method significantly enhances the aesthetic behaviors of the vision models, under several metrics. We believe the proposed algorithm can be a general practice for aligning vision models with human values.
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Controlling the evolution of complex physical systems is a fundamental task across science and engineering. Classical techniques suffer from limited applicability or huge computational costs. On the other hand, recent deep learning and reinforcement learning-based approaches often struggle to optimize long-term control sequences under the constraints of system dynamics. In this work, we introduce Diffusion Physical systems Control (DiffPhyCon), a new class of method to address the physical systems control problem. DiffPhyCon excels by simultaneously minimizing both the learned generative energy function and the predefined control objectives across the entire trajectory and control sequence. Thus, it can explore globally and plan near-optimal control sequences. Moreover, we enhance DiffPhyCon with prior reweighting, enabling the discovery of control sequences that significantly deviate from the training distribution. We test our method on three tasks: 1D Burgers' equation, 2D jellyfish movement control, and 2D high-dimensional smoke control, where our generated jellyfish dataset is released as a benchmark for complex physical system control research. Our method outperforms widely applied classical approaches and state-of-the-art deep learning and reinforcement learning methods. Notably, DiffPhyCon unveils an intriguing fast-close-slow-open pattern observed in the jellyfish, aligning with established findings in the field of fluid dynamics. The project website, jellyfish dataset, and code can be found at https://github.com/AI4Science-WestlakeU/diffphycon.
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This work focuses on the active learning in video captioning. In particular, we propose to address the learnability problem in active learning, which has been brought up by collective outliers in video captioning and neglected in the literature. To start with, we conduct a comprehensive study of collective outliers, exploring their hard-to-learn property and concluding that ground truth inconsistency is one of the main causes. Motivated by this, we design a novel active learning algorithm that takes three complementary aspects, namely learnability, diversity, and uncertainty, into account. Ideally, learnability is reflected by ground truth consistency. Under the active learning scenario where ground truths are not available until human involvement, we measure the consistency on estimated ground truths, where predictions from off-the-shelf models are utilized as approximations to ground truths. These predictions are further used to estimate sample frequency and reliability, evincing the diversity and uncertainty respectively. With the help of our novel caption-wise active learning protocol, our algorithm is capable of leveraging knowledge from humans in a more effective yet intellectual manner. Results on publicly available video captioning datasets with diverse video captioning models demonstrate that our algorithm outperforms SOTA active learning methods by a large margin, e.g. we achieve about 103% of full performance on CIDEr with 25% of human annotations on MSR-VTT.
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We introduce Condition-Aware Self-Supervised Learning Representation (CA-SSLR), a generalist conditioning model broadly applicable to various speech-processing tasks. Compared to standard fine-tuning methods that optimize for downstream models, CA-SSLR integrates language and speaker embeddings from earlier layers, making the SSL model aware of the current language and speaker context. This approach reduces the reliance on the input audio features while preserving the integrity of the base SSLR. CA-SSLR improves the model’s capabilities and demonstrates its generality on unseen tasks with minimal task-specific tuning. Our method employs linear modulation to dynamically adjust internal representations, enabling fine-grained adaptability without significantly altering the original model behavior. Experiments show that CA-SSLR reduces the number of trainable parameters, mitigates overfitting, and excels in under-resourced and unseen tasks. Specifically, CA-SSLR achieves a 10\% relative reduction in LID errors, a 37\% improvement in ASR CER on the ML-SUPERB benchmark, and a 27\% decrease in SV EER on VoxCeleb-1, demonstrating its effectiveness.
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A fundamental objective in robot manipulation is to enable models to comprehend visual scenes and execute actions. Although existing Vision-Language-Action (VLA) models for robots can handle a range of basic tasks, they still face challenges in two areas: (1) insufficient reasoning ability to tackle complex tasks, and (2) high computational costs for VLA model fine-tuning and inference. The recently proposed state space model (SSM) known as Mamba demonstrates promising capabilities in non-trivial sequence modeling with linear inference complexity. Inspired by this, we introduce RoboMamba, an end-to-end robotic VLA model that leverages Mamba to deliver both robotic reasoning and action capabilities, while maintaining efficient fine-tuning and inference. Specifically, we first integrate the vision encoder with Mamba, aligning visual tokens with language embedding through co-training, empowering our model with visual common sense and robotic-related reasoning. To further equip RoboMamba with SE(3) pose prediction abilities, we explore an efficient fine-tuning strategy with a simple policy head. We find that once RoboMamba possesses sufficient reasoning capability, it can acquire manipulation skills with minimal fine-tuning parameters (0.1\% of the model) and time. In experiments, RoboMamba demonstrates outstanding reasoning capabilities on general and robotic evaluation benchmarks. Meanwhile, our model showcases impressive pose prediction results in both simulation and real-world experiments, achieving inference speeds 3 times faster than existing VLA models.
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Multi-scene absolute pose regression addresses the demand for fast and memory-efficient camera pose estimation across various real-world environments. Nowadays, transformer-based model has been devised to regress the camera pose directly in multi-scenes. Despite its potential, transformer encoders are underutilized due to the collapsed self-attention map, having low representation capacity. This work highlights the problem and investigates it from a new perspective: distortion of query-key embedding space. Based on the statistical analysis, we reveal that queries and keys are mapped in completely different spaces while only a few keys are blended into the query region. This leads to the collapse of the self-attention map as all queries are considered similar to those few keys. Therefore, we propose simple but effective solutions to activate self-attention. Concretely, we present an auxiliary loss that aligns queries and keys, preventing the distortion of query-key space and encouraging the model to find global relations by self-attention. In addition, the fixed sinusoidal positional encoding is adopted instead of undertrained learnable one to reflect appropriate positional clues into the inputs of self-attention. As a result, our approach resolves the aforementioned problem effectively, thus outperforming existing methods in both outdoor and indoor scenes.
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Masked Autoencoder (MAE) is a self-supervised approach for representation learning, widely applicable to a variety of downstream tasks in computer vision. In spite of its success, it is still not fully uncovered what and how MAE exactly learns. In this paper, with an in-depth analysis, we discover that MAE intrinsically learns pattern-based patch-level clustering from surprisingly early stages of pre-training. Upon this understanding, we propose self-guided masked autoencoder, which internally generates informed mask by utilizing its progress in patch clustering, substituting the naive random masking of the vanilla MAE. Our approach significantly boosts its learning process without relying on any external models or supplementary information, keeping the benefit of self-supervised nature of MAE intact. Comprehensive experiments on various downstream tasks verify the effectiveness of the proposed method.
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In this paper, we propose to create animatable avatars for interacting hands with 3D Gaussian Splatting (GS) and single-image inputs. Existing GS-based methods designed for single subjects often yield unsatisfactory results due to limited input views, various hand poses, and occlusions. To address these challenges, we introduce a novel two-stage interaction-aware GS framework that exploits cross-subject hand priors and refines 3D Gaussians in interacting areas. Particularly, to handle hand variations, we disentangle the 3D presentation of hands into optimization-based identity maps and learning-based latent geometric features and neural texture maps. Learning-based features are captured by trained networks to provide reliable priors for poses, shapes, and textures, while optimization-based identity maps enable efficient one-shot fitting of out-of-distribution hands. Furthermore, we devise an interaction-aware attention module and a self-adaptive Gaussian refinement module. These modules enhance image rendering quality in areas with intra- and inter-hand interactions, overcoming the limitations of existing GS-based methods. Our proposed method is validated via extensive experiments on the large-scale InterHand2.6M dataset, and it significantly improves the state-of-the-art performance in image quality. Code and models will be released upon acceptance.
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The ability to conduct interventions plays a pivotal role in learning causal relationships among variables, thus facilitating applications across diverse scientific disciplines such as genomics, economics, and machine learning. However, in many instances within these applications, the process of generating interventional data is subject to noise: rather than data being sampled directly from the intended interventional distribution, interventions often yield data sampled from a blend of both intended and unintended interventional distributions. We consider the fundamental challenge of disentangling mixed interventional and observational data within linear Structural Equation Models (SEMs) with Gaussian additive noise without the knowledge of the true causal graph. We demonstrate that conducting interventions, whether do or soft, yields distributions with sufficient diversity and properties conducive to efficiently recovering each component within the mixture. Furthermore, we establish that the sample complexity required to disentangle mixed data inversely correlates with the extent of change induced by an intervention in the equations governing the affected variable values. As a result, the causal graph can be identified up to its interventional Markov Equivalence Class, similar to scenarios where no noise influences the generation of interventional data. We further support our theoretical findings by conducting simulations wherein we perform causal discovery from such mixed data.
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Generative Adversarial Imitation Learning (GAIL) provides a promising approach to training a generative policy to imitate a demonstrator. It uses on-policy Reinforcement Learning (RL) to optimize a reward signal derived from an adversarial discriminator. However, optimizing GAIL is difficult in practise, with the training loss oscillating during training, slowing convergence. This optimization instability can prevent GAIL from finding a good policy, harming its final performance. In this paper, we study GAIL’s optimization from a control-theoretic perspective. We show that GAIL cannot converge to the desired equilibrium. In response, we analyze the training dynamics of GAIL in function space and design a novel controller that not only pushes GAIL to the desired equilibrium but also achieves asymptotic stability in a simplified “one-step” setting. Going from theory to practice, we propose Controlled-GAIL (C-GAIL), which adds a differentiable regularization term on the GAIL objective to stabilize training. Empirically, the C-GAIL regularizer improves the training of various existing GAIL methods, including the popular GAIL-DAC, by speeding up the convergence, reducing the range of oscillation, and matching the expert distribution more closely.
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Many real-world graphs are large and have some characteristic subgraph patterns, such as triangles in social networks, cliques in web graphs, and cycles in molecular networks. Detecting such subgraph patterns is important in many applications; therefore, establishing graph neural networks (GNNs) that can detect such patterns and run fast on large graphs is demanding. In this study, we propose a new GNN layer, named \emph{graph homomorphism layer}. It enumerates local subgraph patterns that match the predefined set of patterns $\mathcal{P}^\bullet$, applies non-linear transformations to node features, and aggregates them along with the patterns. By stacking these layers, we obtain a deep GNN model called \emph{deep homomorphism network (DHN)}. The expressive power of the DHN is completely characterised by the set of patterns generated from $\mathcal{P}^\bullet$ by graph-theoretic operations; hence, it serves as a useful theoretical tool to analyse the expressive power of many GNN models. Furthermore, the model runs in the same time complexity as the graph homomorphisms, which is fast in many real-word graphs. Thus, it serves as a practical and lightweight model that solves difficult problems using domain knowledge.
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Classification with rejection emerges as a learning paradigm which allows models to abstain from making predictions. The predominant approach is to alter the supervised learning pipeline by augmenting typical loss functions, letting model rejection incur a lower loss than an incorrect prediction. Instead, we propose a different distributional perspective, where we seek to find an idealized data distribution which maximizes a pretrained model's performance. This can be formalized via the optimization of a loss's risk with a $ \phi$-divergence regularization term. Through this idealized distribution, a rejection decision can be made by utilizing the density ratio between this distribution and the data distribution. We focus on the setting where our $ \phi $-divergences are specified by the family of $ \alpha $-divergence. Our framework is tested empirically over clean and noisy datasets.
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Exploring the loss landscape offers insights into the inherent principles of deep neural networks (DNNs). Recent work suggests an additional asymmetry of the valley beyond the flat and sharp ones, yet without thoroughly examining its causes or implications. Our study methodically explores the factors affecting the symmetry of DNN valleys, encompassing (1) the dataset, network architecture, initialization, and hyperparameters that influence the convergence point; and (2) the magnitude and direction of the noise for 1D visualization. Our major observation shows that the {\it degree of sign consistency} between the noise and the convergence point is a critical indicator of valley symmetry. Theoretical insights from the aspects of ReLU activation and softmax function could explain the interesting phenomenon. Our discovery propels novel understanding and applications in the scenario of Model Fusion: (1) the efficacy of interpolating separate models significantly correlates with their sign consistency ratio, and (2) imposing sign alignment during federated learning emerges as an innovative approach for model parameter alignment.
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Recent text-to-image (T2I) personalization methods have shown great premise in teaching a diffusion model user-specified concepts given a few images for reusing the acquired concepts in a novel context. With massive efforts being dedicated to personalized generation, a promising extension is personalized editing, namely to edit an image using personalized concepts, which can provide more precise guidance signal than traditional textual guidance. To address this, one straightforward solution is to incorporate a personalized diffusion model with a text-driven editing framework. However, such solution often shows unsatisfactory editability on the source image. To address this, we propose DreamSteerer, a plug-in method for augmenting existing T2I personalization methods. Specifically, we enhance the source image conditioned editability of a personalized diffusion model via a novel Editability Driven Score Distillation (EDSD) objective. Moreover, we identify a mode trapping issue with EDSD, and propose a mode shifting regularization with spatial feature guided sampling to avoid such issue. We further employ two key modifications on the Delta Denoising Score framework that enable high-fidelity local editing with personalized concepts. Extensive experiments validate that DreamSteerer can significantly improve the editability of several T2I personalization baselines while being computationally efficient.
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Reinforcement learning (RL) has proven highly effective in addressing complex decision-making and control tasks. However, in most traditional RL algorithms, the policy is typically parameterized as a diagonal Gaussian distribution with learned mean and variance, which constrains their capability to acquire complex policies. In response to this problem, we propose an online RL algorithm termed diffusion actor-critic with entropy regulator (DACER). This algorithm conceptualizes the reverse process of the diffusion model as a novel policy function and leverages the capability of the diffusion model to fit multimodal distributions, thereby enhancing the representational capacity of the policy. Since the distribution of the diffusion policy lacks an analytical expression, its entropy cannot be determined analytically. To mitigate this, we propose a method to estimate the entropy of the diffusion policy utilizing Gaussian mixture model. Building on the estimated entropy, we can learn a parameter $\alpha$ that modulates the degree of exploration and exploitation. Parameter $\alpha$ will be employed to adaptively regulate the variance of the added noise, which is applied to the action output by the diffusion model. Experimental trials on MuJoCo benchmarks and a multimodal task demonstrate that the DACER algorithm achieves state-of-the-art (SOTA) performance in most MuJoCo control tasks while exhibiting a stronger representational capacity of the diffusion policy.
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Tensor Train~(TT) decomposition is widely used in the machine learning and quantum physics communities as a popular tool to efficiently compress high-dimensional tensor data. In this paper, we propose an efficient algorithm to accelerate computing the TT decomposition with the Alternating Least Squares (ALS) algorithm relying on exact leverage scores sampling. For this purpose, we propose a data structure that allows us to efficiently sample from the tensor with time complexity logarithmic in the product of the tensor dimensions. Our contribution specifically leverages the canonical form of the TT decomposition. By maintaining the canonical form through each iteration of ALS, we can efficiently compute (and sample from) the leverage scores, thus achieving significant speed-up in solving each sketched least-square problem. Experiments on synthetic and real data on dense and sparse tensors demonstrate that our method outperforms SVD-based and ALS-based algorithms.
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Tokenizers serve as crucial interfaces between models and linguistic data, substantially influencing the efficacy and precision of large language models (LLMs). Traditional tokenization methods often rely on static frequency-based statistics and are not inherently synchronized with LLM architectures, which may limit model performance. In this study, we propose a simple but effective method to learn tokenizers specifically engineered for seamless integration with LLMs. Initiating with a broad initial vocabulary, we refine our tokenizer by monitoring changes in the model’s perplexity during training, allowing for the selection of a tokenizer that is closely aligned with the model’s evolving dynamics. Through iterative refinement, we develop an optimized tokenizer. Our empirical evaluations demonstrate that this adaptive approach significantly enhances accuracy compared to conventional methods, maintaining comparable vocabulary sizes and affirming its potential to improve LLM functionality.
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Recently, Model-based Reinforcement Learning (MBRL) methods have demonstrated stunning sample efficiency in various RL domains. However, achieving this extraordinary sample efficiency comes with additional training costs in terms of computations, memory, and training time. To address these challenges, we propose the **Pa**rallelized **Mo**del-based **R**einforcement **L**earning (**PaMoRL**) framework. PaMoRL introduces two novel techniques: the **P**arallel **W**orld **M**odel (**PWM**) and the **P**arallelized **E**ligibility **T**race **E**stimation (**PETE**) to parallelize both model learning and policy learning stages of current MBRL methods over the sequence length. Our PaMoRL framework is hardware-efficient and stable, and it can be applied to various tasks with discrete or continuous action spaces using a single set of hyperparameters. The empirical results demonstrate that the PWM and PETE within PaMoRL significantly increase training speed without sacrificing inference efficiency. In terms of sample efficiency, PaMoRL maintains an MBRL-level sample efficiency that outperforms other no-look-ahead MBRL methods and model-free RL methods, and it even exceeds the performance of planning-based MBRL methods and methods with larger networks in certain tasks.
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Typical LiDAR-based 3D object detection models are trained with real-world data collection, which is often imbalanced over classes. To deal with it, augmentation techniques are commonly used, such as copying ground truth LiDAR points and pasting them into scenes. However, existing methods struggle with the lack of sample diversity for minority classes and the limitation of suitable placement. In this work, we introduce a novel approach that utilizes pseudo LiDAR point clouds generated from low-cost miniatures or real-world videos, which is called Pseudo Ground Truth augmentation (PGT-Aug). PGT-Aug involves three key steps: (i) volumetric 3D instance reconstruction using a 2D-to-3D view synthesis model, (ii) object-level domain alignment with LiDAR intensity simulation, and (iii) a hybrid context-aware placement method from ground and map information. We demonstrate the superiority and generality of our method through performance improvements in extensive experiments conducted on popular benchmarks, i.e., nuScenes, KITTI, and Lyft, especially for the datasets with large domain gaps captured by different LiDAR configurations. The project webpage is https://just-add-100-more.github.io.
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Synthetic face recognition (SFR) aims to generate synthetic face datasets that mimic the distribution of real face data, which allows for training face recognition models in a privacy-preserving manner. Despite the remarkable potential of diffusion models in image generation, current diffusion-based SFR models struggle with generalization to real-world faces. To address this limitation, we outline three key objectives for SFR: (1) promoting diversity across identities (inter-class diversity), (2) ensuring diversity within each identity by injecting various facial attributes (intra-class diversity), and (3) maintaining identity consistency within each identity group (intra-class identity preservation). Inspired by these goals, we introduce a diffusion-fueled SFR model termed $\text{ID}^3$. $\text{ID}^3$ employs an ID-preserving loss to generate diverse yet identity-consistent facial appearances. Theoretically, we show that minimizing this loss is equivalent to maximizing the lower bound of an adjusted conditional log-likelihood over ID-preserving data. This equivalence motivates an ID-preserving sampling algorithm, which operates over an adjusted gradient vector field, enabling the generation of fake face recognition datasets that approximate the distribution of real-world faces. Extensive experiments across five challenging benchmarks validate the advantages of $\text{ID}^3$.
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Reinforcement Learning from Human Feedback (RLHF) has recently surged in popularity, particularly for aligning large language models and other AI systems with human intentions. At its core, RLHF can be viewed as a specialized instance of Preference-based Reinforcement Learning (PbRL), where the preferences specifically originate from human judgments rather than arbitrary evaluators. Despite this connection, most existing approaches in both RLHF and PbRL primarily focus on optimizing a mean reward objective, neglecting scenarios that necessitate risk-awareness, such as AI safety, healthcare, and autonomous driving. These scenarios often operate under a one-episode-reward setting, which makes conventional risk-sensitive objectives inapplicable. To address this, we explore and prove the applicability of two risk-aware objectives to PbRL : nested and static quantile risk objectives. We also introduce Risk-AwarePbRL (RA-PbRL), an algorithm designed to optimize both nested and static objectives. Additionally, we provide a theoretical analysis of the regret upper bounds, demonstrating that they are sublinear with respect to the number of episodes, and present empirical results to support our findings. Our code is available in https://github.com/aguilarjose11/PbRLNeurips.
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Finding specific preference-guided Pareto solutions that represent different trade-offs among multiple objectives is critical yet challenging in multi-objective problems. Existing methods are restrictive in preference definitions and/or their theoretical guarantees. In this work, we introduce a Flexible framEwork for pREfeRence-guided multi-Objective learning (**FERERO**) by casting it as a constrained vector optimization problem. Specifically, two types of preferences are incorporated into this formulation -- the *relative preference* defined by the partial ordering induced by a polyhedral cone, and the *absolute preference* defined by constraints that are linear functions of the objectives. To solve this problem, convergent algorithms are developed with both single-loop and stochastic variants. Notably, this is the *first single-loop primal algorithm* for constrained vector optimization to our knowledge. The proposed algorithms adaptively adjust to both constraint and objective values, eliminating the need to solve different subproblems at different stages of constraint satisfaction. Experiments on multiple benchmarks demonstrate the proposed method is very competitive in finding preference-guided optimal solutions. Code is available at https://github.com/lisha-chen/FERERO/.
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Recent works have shown the remarkable superiority of transformer models in reinforcement learning (RL), where the decision-making problem is formulated as sequential generation. Transformer-based agents could emerge with self-improvement in online environments by providing task contexts, such as multiple trajectories, called in-context RL. However, due to the quadratic computation complexity of attention in transformers, current in-context RL methods suffer from huge computational costs as the task horizon increases. In contrast, the Mamba model is renowned for its efficient ability to process long-term dependencies, which provides an opportunity for in-context RL to solve tasks that require long-term memory. To this end, we first implement Decision Mamba (DM) by replacing the backbone of Decision Transformer (DT). Then, we propose a Decision Mamba-Hybrid (DM-H) with the merits of transformers and Mamba in high-quality prediction and long-term memory. Specifically, DM-H first generates high-value sub-goals from long-term memory through the Mamba model. Then, we use sub-goals to prompt the transformer, establishing high-quality predictions. Experimental results demonstrate that DM-H achieves state-of-the-art in long and short-term tasks, such as D4RL, Grid World, and Tmaze benchmarks. Regarding efficiency, the online testing of DM-H in the long-term task is 28$\times$ times faster than the transformer-based baselines.
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Recent work has explored how individual components of the CLIP-ViT model contribute to the final representation by leveraging the shared image-text representation space of CLIP. These components, such as attention heads and MLPs, have been shown to capture distinct image features like shape, color or texture. However, understanding the role of these components in arbitrary vision transformers (ViTs) is challenging. To this end, we introduce a general framework which can identify the roles of various components in ViTs beyond CLIP. Specifically, we (a) automate the decomposition of the final representation into contributions from different model components, and (b) linearly map these contributions to CLIP space to interpret them via text. Additionally, we introduce a novel scoring function to rank components by their importance with respect to specific features. Applying our framework to various ViT variants (e.g. DeiT, DINO, DINOv2, Swin, MaxViT), we gain insights into the roles of different components concerning particular image features. These insights facilitate applications such as image retrieval using text descriptions or reference images, visualizing token importance heatmaps, and mitigating spurious correlations. We release our [code](https://github.com/SriramB-98/vit-decompose) to reproduce the experiments in the paper.
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Model Inversion (MI) attacks pose a significant threat to the privacy of Deep Neural Networks by recovering training data distribution from well-trained models. While existing defenses often rely on regularization techniques to reduce information leakage, they remain vulnerable to recent attacks. In this paper, we propose the Trapdoor-based Model Inversion Defense (Trap-MID) to mislead MI attacks. A trapdoor is integrated into the model to predict a specific label when the input is injected with the corresponding trigger. Consequently, this trapdoor information serves as the "shortcut" for MI attacks, leading them to extract trapdoor triggers rather than private data. We provide theoretical insights into the impacts of trapdoor's effectiveness and naturalness on deceiving MI attacks. In addition, empirical experiments demonstrate the state-of-the-art defense performance of Trap-MID against various MI attacks without the requirements for extra data or large computational overhead. Our source code is publicly available at https://github.com/ntuaislab/Trap-MID.
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Existing Goal-Conditioned Reinforcement Learning (GCRL) algorithms are built upon Hindsight Experience Replay (HER), which densifies rewards through hindsight replay and leverages historical goal-achieving information to construct a learning curriculum. However, when the task is characterized by a non-Markovian reward (NMR), whose computation depends on multiple steps of states and actions, HER can no longer densify rewards by treating a single encountered state as the hindsight goal. The lack of informative rewards hinders policy learning, resulting in rolling out failed trajectories. Consequently, the replay buffer is overwhelmed with failed trajectories, impeding the establishment of an applicable curriculum. To circumvent these limitations, we deviate from existing HER-based methods and propose an on-policy GCRL framework, GCPO, which is applicable to both multi-goal Markovian reward (MR) and NMR problems. GCPO consists of (1) Pre-training from Demonstrations, which pre-trains the policy to possess an initial goal-achieving capability, thereby diminishing the difficulty of subsequent online learning. (2) Online Self-Curriculum Learning, which first estimates the policy's goal-achieving capability based on historical evaluation information and then selects progressively challenging goals for learning based on its current capability. We evaluate GCPO on a challenging multi-goal long-horizon task: fixed-wing UAV velocity vector control. Experimental results demonstrate that GCPO is capable of effectively addressing both multi-goal MR and NMR problems.
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Learning from human preference data has emerged as the dominant paradigm for fine-tuning large language models (LLMs). The two most common families of techniques -- online reinforcement learning (RL) such as Proximal Policy Optimization (PPO) and offline contrastive methods such as Direct Preference Optimization (DPO) -- were positioned as equivalent in prior work due to the fact that both have to start from the same offline preference dataset. To further expand our theoretical understanding of the similarities and differences between online and offline techniques for preference fine-tuning, we conduct a rigorous analysis through the lens of *dataset coverage*, a concept that captures how the training data covers the test distribution and is widely used in RL. We prove that a global coverage condition is both necessary and sufficient for offline contrastive methods to converge to the optimal policy, but a weaker partial coverage condition suffices for online RL methods. This separation provides one explanation of why online RL methods can perform better than offline methods, especially when the offline preference data is not diverse enough. Finally, motivated by our preceding theoretical observations, we derive a hybrid preference optimization (HyPO) algorithm that uses offline data for contrastive-based preference optimization and online unlabeled data for KL regularization. Theoretically and empirically, we demonstrate that HyPO is more performant than its pure offline counterpart DPO, while still preserving its computation and memory efficiency.
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Non-exemplar class-incremental learning (NECIL) is a challenging task that requires recognizing both old and new classes without retaining any old class samples. Current works mainly deal with the conflicts between old and new classes retrospectively as a new task comes in. However, the lack of old task data makes balancing old and new classes difficult. Instead, we propose a Prospective Representation Learning (PRL) approach to prepare the model for handling conflicts in advance. In the base phase, we squeeze the embedding distribution of the current classes to reserve space for forward compatibility with future classes. In the incremental phase, we make the new class features away from the saved prototypes of old classes in a latent space while aligning the current embedding space with the latent space when updating the model. Thereby, the new class features are clustered in the reserved space to minimize the shock of the new classes on the former classes. Our approach can help existing NECIL baselines to balance old and new classes in a plug-and-play manner. Extensive experiments on several benchmarks demonstrate that our approach outperforms the state-of-the-art methods.
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The goal of *generalized* few-shot semantic segmentation (GFSS) is to recognize *novel-class* objects through training with a few annotated examples and the *base-class* model that learned the knowledge about the base classes. Unlike the classic few-shot semantic segmentation, GFSS aims to classify pixels into both base and novel classes, meaning it is a more practical setting. Current GFSS methods rely on several techniques such as using combinations of customized modules, carefully designed loss functions, meta-learning, and transductive learning. However, we found that a simple rule and standard supervised learning substantially improve the GFSS performance. In this paper, we propose a simple yet effective method for GFSS that does not use the techniques mentioned above. Also, we theoretically show that our method perfectly maintains the segmentation performance of the base-class model over most of the base classes. Through numerical experiments, we demonstrated the effectiveness of our method. It improved in novel-class segmentation performance in the $1$-shot scenario by $6.1$% on the PASCAL-$5^i$ dataset, $4.7$% on the PASCAL-$10^i$ dataset, and $1.0$% on the COCO-$20^i$ dataset.
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Large Language Models (LLMs) have achieved remarkable success across various industries and applications, owing to their exceptional generative capabilities. Nevertheless, honesty and helpfulness, which ensure safe and useful real-world deployments, have been considered as the longstanding cornerstones in practice. In this paper, we first established comprehensive principles for honesty LLM and further created the HoneSet with 930 queries across six categories, which is designed to evaluate LLMs’ ability to maintain honesty. Then, we improved the honesty and helpfulness of LLMs in both training-free and fine-tuning settings. Specifically, we propose a training-free method named Curiosity-Driven Prompting, which enables LLMs to express their internal confusion and uncertainty about the given query and then optimize their responses. Moreover, we also propose a two-stage fine-tuning approach, inspired by curriculum learning, to enhance the honesty and helpfulness of LLMs. The method first teaches LLMs to distinguish between honest and dishonest, and then LLMs are trained to learn to respond more helpfully. Experimental results demonstrated that both of the two proposed methods improve the helpfulness of LLMs while making them maintain honesty. Our research has paved the way for more reliable and trustworthy LLMs in real-world applications.
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Continual learning aims to incrementally acquire new concepts in data streams while resisting forgetting previous knowledge. With the rise of powerful pre-trained models (PTMs), there is a growing interest of training incremental learning systems using these foundation models, rather than learning from scratch. Existing works often view PTMs as a strong initial point and directly apply parameter-efficient tuning (PET) in the first session for adapting to downstream tasks. In the following sessions, most methods freeze model parameters for tackling forgetting issues. However, applying PET directly to downstream data cannot fully explore the inherent knowledge in PTMs. Additionally, freezing the parameters in incremental sessions hinders models' plasticity to novel concepts not covered in the first session. To solve the above issues, we propose a Slow And Fast parameter-Efficient tuning (SAFE) framework. In particular, to inherit general knowledge from foundation models, we include a transfer loss function by measuring the correlation between the PTM and the PET-applied model. After calibrating in the first session, the slow efficient tuning parameters can capture more informative features, improving generalization to incoming classes. Moreover, to further incorporate novel concepts, we strike a balance between stability and plasticity by fixing slow efficient tuning parameters and continuously updating the fast ones. Specifically, a cross-classification loss with feature alignment is proposed to circumvent catastrophic forgetting. During inference, we introduce an entropy-based aggregation strategy to dynamically utilize the complementarity in the slow and fast learners. Extensive experiments on seven benchmark datasets verify the effectiveness of our method by significantly surpassing the state-of-the-art.
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Monocular 3D object detection aims for precise 3D localization and identification of objects from a single-view image. Despite its recent progress, it often struggles while handling pervasive object occlusions that tend to complicate and degrade the prediction of object dimensions, depths, and orientations. We design MonoMAE, a monocular 3D detector inspired by Masked Autoencoders that addresses the object occlusion issue by masking and reconstructing objects in the feature space. MonoMAE consists of two novel designs. The first is depth-aware masking that selectively masks certain parts of non-occluded object queries in the feature space for simulating occluded object queries for network training. It masks non-occluded object queries by balancing the masked and preserved query portions adaptively according to the depth information. The second is lightweight query completion that works with the depth-aware masking to learn to reconstruct and complete the masked object queries. With the proposed feature-space occlusion and completion, MonoMAE learns enriched 3D representations that achieve superior monocular 3D detection performance qualitatively and quantitatively for both occluded and non-occluded objects. Additionally, MonoMAE learns generalizable representations that can work well in new domains.
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We explore the training dynamics of neural networks in a structured non-IID setting where documents are presented cyclically in a fixed, repeated sequence. Typically, networks suffer from catastrophic interference when training on a sequence of documents; however, we discover a curious and remarkable property of LLMs finetuned sequentially in this setting: they exhibit *anticipatory* behavior, recovering from the forgetting on documents *before* seeing them again. The behavior emerges and becomes more robust as the architecture scales up its number of parameters. Through comprehensive experiments and visualizations, we uncover new insights into training over-parameterized networks in structured environments.
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Diffusion-based generative models have demonstrated their powerful performance across various tasks, but this comes at a cost of the slow sampling speed. To achieve both efficient and high-quality synthesis, various distillation-based accelerated sampling methods have been developed recently. However, they generally require time-consuming fine tuning with elaborate designs to achieve satisfactory performance in a specific number of function evaluation (NFE), making them difficult to employ in practice. To address this issue, we propose **S**imple and **F**ast **D**istillation (SFD) of diffusion models, which simplifies the paradigm used in existing methods and largely shortens their fine-tuning time up to $1000\times$. We begin with a vanilla distillation-based sampling method and boost its performance to state of the art by identifying and addressing several small yet vital factors affecting the synthesis efficiency and quality. Our method can also achieve sampling with variable NFEs using a single distilled model. Extensive experiments demonstrate that SFD strikes a good balance between the sample quality and fine-tuning costs in few-step image generation task. For example, SFD achieves 4.53 FID (NFE=2) on CIFAR-10 with only **0.64 hours** of fine-tuning on a single NVIDIA A100 GPU.
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Federated learning (FL) allows collaborative machine learning training without sharing private data. While most FL methods assume identical data domains across clients, real-world scenarios often involve heterogeneous data domains. Federated Prototype Learning (FedPL) addresses this issue, using mean feature vectors as prototypes to enhance model generalization. However, existing FedPL methods create the same number of prototypes for each client, leading to cross-domain performance gaps and disparities for clients with varied data distributions. To mitigate cross-domain feature representation variance, we introduce FedPLVM, which establishes variance-aware dual-level prototypes clustering and employs a novel $\alpha$-sparsity prototype loss. The dual-level prototypes clustering strategy creates local clustered prototypes based on private data features, then performs global prototypes clustering to reduce communication complexity and preserve local data privacy. The $\alpha$-sparsity prototype loss aligns samples from underrepresented domains, enhancing intra-class similarity and reducing inter-class similarity. Evaluations on Digit-5, Office-10, and DomainNet datasets demonstrate our method's superiority over existing approaches.
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In multiclass classification over $n$ outcomes, we typically optimize some surrogate loss $L: \mathbb{R}^d \times\mathcal{Y} \to \mathbb{R}$ assigning real-valued error to predictions in $\mathbb{R}^d$. In this paradigm, outcomes must be embedded into the reals with dimension $d \approx n$ in order to design a consistent surrogate loss. Consistent losses are well-motivated theoretically, yet for large $n$, such as in information retrieval and structured prediction tasks, their optimization may be computationally infeasible. In practice, outcomes are typically embedded into some $\mathbb{R}^d$ for $d \ll n$, with little known about their suitability for multiclass classification. We investigate two approaches for trading off consistency and dimensionality in multiclass classification while using a convex surrogate loss. We first formalize partial consistency when the optimized surrogate has dimension $d \ll n$. We then check if partial consistency holds under a given embedding and low-noise assumption, providing insight into when to use a particular embedding into $\mathbb{R}^d$. Finally, we present a new method to construct (fully) consistent losses with $d \ll n$ out of multiple problem instances. Our practical approach leverages parallelism to sidestep lower bounds on $d$.
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The Spiking Neural Network (SNN) is a biologically inspired neural network infrastructure that has recently garnered significant attention. It utilizes binary spike activations to transmit information, thereby replacing multiplications with additions and resulting in high energy efficiency. However, training an SNN directly poses a challenge due to the undefined gradient of the firing spike process. Although prior works have employed various surrogate gradient training methods that use an alternative function to replace the firing process during back-propagation, these approaches ignore an intrinsic problem: gradient vanishing. To address this issue, we propose a shortcut back-propagation method in the paper, which advocates for transmitting the gradient directly from the loss to the shallow layers. This enables us to present the gradient to the shallow layers directly, thereby significantly mitigating the gradient vanishing problem. Additionally, this method does not introduce any burden during the inference phase. To strike a balance between final accuracy and ease of training, we also propose an evolutionary training framework and implement it by inducing a balance coefficient that dynamically changes with the training epoch, which further improves the network's performance. Extensive experiments conducted over static and dynamic datasets using several popular network structures reveal that our method consistently outperforms state-of-the-art methods.
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Residual networks, as discrete approximations of Ordinary Differential Equations (ODEs), have inspired significant advancements in neural network design, including multistep methods, high-order methods, and multi-particle dynamical systems. The precision of the solution to ODEs significantly affects parameter optimization, thereby impacting model performance. In this work, we present a series of advanced explorations of Transformer architecture design to minimize the error compared to the true ``solution.'' First, we introduce a predictor-corrector learning framework to minimize truncation errors, which consists of a high-order predictor and a multistep corrector. Second, we propose an exponential moving average-based coefficient learning method to strengthen our higher-order predictor. Extensive experiments on large-scale machine translation, abstractive summarization, language modeling, and natural language understanding benchmarks demonstrate the superiority of our approach. On the WMT'14 English-German and English-French tasks, our model achieved BLEU scores of 30.95 and 44.27, respectively. Furthermore, on the OPUS multilingual machine translation task, our model surpasses a robust 3.8B DeepNet by an average of 2.9 SacreBLEU, using only 1/3 parameters. Notably, it also beats LLama models by 5.7 accuracy points on the LM Harness Evaluation.
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Generating synthetic fake faces, known as pseudo-fake faces, is an effective way to improve the generalization of DeepFake detection. Existing methods typically generate these faces by blending real or fake faces in spatial domain. While these methods have shown promise, they overlook the simulation of frequency distribution in pseudo-fake faces, limiting the learning of generic forgery traces in-depth. To address this, this paper introduces {\em FreqBlender}, a new method that can generate pseudo-fake faces by blending frequency knowledge. Concretely, we investigate the major frequency components and propose a Frequency Parsing Network to adaptively partition frequency components related to forgery traces. Then we blend this frequency knowledge from fake faces into real faces to generate pseudo-fake faces. Since there is no ground truth for frequency components, we describe a dedicated training strategy by leveraging the inner correlations among different frequency knowledge to instruct the learning process. Experimental results demonstrate the effectiveness of our method in enhancing DeepFake detection, making it a potential plug-and-play strategy for other methods.
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Recent research indicates that large language models (LLMs) are susceptible to jailbreaking attacks that can generate harmful content. This paper introduces a novel token-level attack method, Adaptive Dense-to-Sparse Constrained Optimization (ADC), which has been shown to successfully jailbreak multiple open-source LLMs. Drawing inspiration from the difficulties of discrete token optimization, our method relaxes the discrete jailbreak optimization into a continuous optimization process while gradually increasing the sparsity of the optimizing vectors. This technique effectively bridges the gap between discrete and continuous space optimization. Experimental results demonstrate that our method is more effective and efficient than state-of-the-art token-level methods. On Harmbench, our approach achieves the highest attack success rate on seven out of eight LLMs compared to the latest jailbreak methods. \textcolor{red}{Trigger Warning: This paper contains model behavior that can be offensive in nature.}
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LiDAR-based 3D object detection has made impressive progress recently, yet most existing models are black-box, lacking interpretability. Previous explanation approaches primarily focus on analyzing image-based models and are not readily applicable to LiDAR-based 3D detectors. In this paper, we propose a feature factorization activation map (FFAM) to generate high-quality visual explanations for 3D detectors. FFAM employs non-negative matrix factorization to generate concept activation maps and subsequently aggregates these maps to obtain a global visual explanation. To achieve object-specific visual explanations, we refine the global visual explanation using the feature gradient of a target object. Additionally, we introduce a voxel upsampling strategy to align the scale between the activation map and input point cloud. We qualitatively and quantitatively analyze FFAM with multiple detectors on several datasets. Experimental results validate the high-quality visual explanations produced by FFAM. The code is available at \url{https://anonymous.4open.science/r/FFAM-B9AF}.
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Adversarial Collaborative Filtering (ACF), which typically applies adversarial perturbations at user and item embeddings through adversarial training, is widely recognized as an effective strategy for enhancing the robustness of Collaborative Filtering (CF) recommender systems against poisoning attacks. Besides, numerous studies have empirically shown that ACF can also improve recommendation performance compared to traditional CF. Despite these empirical successes, the theoretical understanding of ACF's effectiveness in terms of both performance and robustness remains unclear. To bridge this gap, in this paper, we first theoretically show that ACF can achieve a lower recommendation error compared to traditional CF with the same training epochs in both clean and poisoned data contexts. Furthermore, by establishing bounds for reductions in recommendation error during ACF's optimization process, we find that applying personalized magnitudes of perturbation for different users based on their embedding scales can further improve ACF's effectiveness. Building on these theoretical understandings, we propose Personalized Magnitude Adversarial Collaborative Filtering (PamaCF). Extensive experiments demonstrate that PamaCF effectively defends against various types of poisoning attacks while significantly enhancing recommendation performance.
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Pairwise dot-product self-attention is key to the success of transformers that achieve state-of-the-art performance across a variety of applications in language and vision. This dot-product self-attention computes attention weights among the input tokens using Euclidean distance, which makes the model prone to representation collapse and vulnerable to contaminated samples. In this paper, we propose using a Mahalanobis distance metric for computing the attention weights to stretch the underlying feature space in directions of high contextual relevance. In particular, we define a hyper-ellipsoidal neighborhood around each query to increase the attention weights of the tokens lying in the contextually important directions. We term this novel class of attention Elliptical Attention. Our Elliptical Attention provides two benefits: 1) reducing representation collapse and 2) enhancing the model's robustness as the Elliptical Attention pays more attention to contextually relevant information, rather than focusing on some small subset of informative features. We empirically demonstrate the advantages of Elliptical Attention over the baseline dot-product attention and state-of-the-art attention methods on various practical tasks, including object classification, image segmentation, and language modeling across different data modalities.
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Out-of-Distribution (OoD) detection is vital for the reliability of Deep Neural Networks (DNNs). Existing works have shown the insufficiency of Principal Component Analysis (PCA) straightforwardly applied on the features of DNNs in detecting OoD data from In-Distribution (InD) data. The failure of PCA suggests that the network features residing in OoD and InD are not well separated by simply proceeding in a linear subspace, which instead can be resolved through proper non-linear mappings. In this work, we leverage the framework of Kernel PCA (KPCA) for OoD detection, and seek suitable non-linear kernels that advocate the separability between InD and OoD data in the subspace spanned by the principal components. Besides, explicit feature mappings induced from the devoted task-specific kernels are adopted so that the KPCA reconstruction error for new test samples can be efficiently obtained with large-scale data. Extensive theoretical and empirical results on multiple OoD data sets and network structures verify the superiority of our KPCA detector in efficiency and efficacy with state-of-the-art detection performance.
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The past neural network design has largely focused on feature \textit{representation space} dimension and its capacity scaling (e.g., width, depth), but overlooked the feature \textit{interaction space} scaling. Recent advancements have shown shifted focus towards element-wise multiplication to facilitate higher-dimensional feature interaction space for better information transformation. Despite this progress, multiplications predominantly capture low-order interactions, thus remaining confined to a finite-dimensional interaction space. To transcend this limitation, classic kernel methods emerge as a promising solution to engage features in an infinite-dimensional space. We introduce InfiNet, a model architecture that enables feature interaction within an infinite-dimensional space created by RBF kernel. Our experiments reveal that InfiNet achieves new state-of-the-art, owing to its capability to leverage infinite-dimensional interactions, significantly enhancing model performance.
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Most advances in 3D Generative Adversarial Networks (3D GANs) largely depend on ray casting-based volume rendering, which incurs demanding rendering costs. One promising alternative is rasterization-based 3D Gaussian Splatting (3D-GS), providing a much faster rendering speed and explicit 3D representation. In this paper, we exploit Gaussian as a 3D representation for 3D GANs by leveraging its efficient and explicit characteristics. However, in an adversarial framework, we observe that a na\"ive generator architecture suffers from training instability and lacks the capability to adjust the scale of Gaussians. This leads to model divergence and visual artifacts due to the absence of proper guidance for initialized positions of Gaussians and densification to manage their scales adaptively. To address these issues, we introduce GSGAN, a generator architecture with a hierarchical multi-scale Gaussian representation that effectively regularizes the position and scale of generated Gaussians. Specifically, we design a hierarchy of Gaussians where finer-level Gaussians are parameterized by their coarser-level counterparts; the position of finer-level Gaussians would be located near their coarser-level counterparts, and the scale would monotonically decrease as the level becomes finer, modeling both coarse and fine details of the 3D scene. Experimental results demonstrate that ours achieves a significantly faster rendering speed (×100) compared to state-of-the-art 3D consistent GANs with comparable 3D generation capability.
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Designing single-task image restoration models for specific degradation has seen great success in recent years. To achieve generalized image restoration, all-in-one methods have recently been proposed and shown potential for multiple restoration tasks using one single model. Despite the promising results, the existing all-in-one paradigm still suffers from high computational costs as well as limited generalization on unseen degradations. In this work, we introduce an alternative solution to improve the generalization of image restoration models. Drawing inspiration from recent advancements in Parameter Efficient Transfer Learning (PETL), we aim to tune only a small number of parameters to adapt pre-trained restoration models to various tasks. However, current PETL methods fail to generalize across varied restoration tasks due to their homogeneous representation nature. To this end, we propose AdaptIR, a Mixture-of-Experts (MoE) with orthogonal multi-branch design to capture local spatial, global spatial, and channel representation bases, followed by adaptive base combination to obtain heterogeneous representation for different degradations. Extensive experiments demonstrate that our AdaptIR achieves stable performance on single-degradation tasks, and excels in hybrid-degradation tasks, with training only 0.6% parameters for 8 hours.
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The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size---adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations---we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.
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Accurate emotion perception is crucial for various applications, including human-computer interaction, education, and counseling. However, traditional single-modality approaches often fail to capture the complexity of real-world emotional expressions, which are inherently multimodal. Moreover, existing Multimodal Large Language Models (MLLMs) face challenges in integrating audio and recognizing subtle facial micro-expressions. To address this, we introduce the MERR dataset, containing 28,618 coarse-grained and 4,487 fine-grained annotated samples across diverse emotional categories. This dataset enables models to learn from varied scenarios and generalize to real-world applications. Furthermore, we propose Emotion-LLaMA, a model that seamlessly integrates audio, visual, and textual inputs through emotion-specific encoders. By aligning features into a shared space and employing a modified LLaMA model with instruction tuning, Emotion-LLaMA significantly enhances both emotional recognition and reasoning capabilities. Extensive evaluations show Emotion-LLaMA outperforms other MLLMs, achieving top scores in Clue Overlap (7.83) and Label Overlap (6.25) on EMER, an F1 score of 0.9036 on MER2023-SEMI challenge, and the highest UAR (45.59) and WAR (59.37) in zero-shot evaluations on DFEW dataset.
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Multiobjective optimization (MOO) plays a critical role in various real-world domains. A major challenge therein is generating $K$ uniform Pareto-optimal solutions to represent the entire Pareto front. To address this issue, this paper firstly introduces \emph{fill distance} to evaluate the $K$ design points, which provides a quantitative metric for the representativeness of the design. However, directly specifying the optimal design that minimizes the fill distance is nearly intractable due to the nested $\min-\max-\min$ optimization problem. To address this, we propose a surrogate ``max-packing'' design for the fill distance design, which is easier to optimize and leads to a rate-optimal design with a fill distance at most $4\times$ the minimum value. Extensive experiments on synthetic and real-world benchmarks demonstrate that our proposed paradigm efficiently produces high-quality, representative solutions and outperforms baseline methods.
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3D Gaussian Splatting (3DGS) has demonstrated impressive novel view synthesis performance. While conventional methods require per-scene optimization, more recently several feed-forward methods have been proposed to generate pixel-aligned Gaussian representations with a learnable network, which are generalizable to different scenes. However, these methods simply combine pixel-aligned Gaussians from multiple views as scene representations, thereby leading to artifacts and extra memory cost without fully capturing the relations of Gaussians from different images. In this paper, we propose Gaussian Graph Network (GGN) to generate efficient and generalizable Gaussian representations. Specifically, we construct Gaussian Graphs to model the relations of Gaussian groups from different views. To support message passing at Gaussian level, we reformulate the basic graph operations over Gaussian representations, enabling each Gaussian to benefit from its connected Gaussian groups with Gaussian feature fusion. Furthermore, we design a Gaussian pooling layer to aggregate various Gaussian groups for efficient representations. We conduct experiments on the large-scale RealEstate10K and ACID datasets to demonstrate the efficiency and generalization of our method. Compared to the state-of-the-art methods, our model uses fewer Gaussians and achieves better image quality with higher rendering speed.
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Modern deep learning models often exhibit overconfident predictions, inadequately capturing uncertainty. During model optimization, the expected calibration error tends to overfit earlier than classification accuracy, indicating distinct optimization objectives for classification error and calibration error. To ensure consistent optimization of both model accuracy and model calibration, we propose a novel method incorporating a probability-dependent gradient decay coefficient into loss function. This coefficient exhibits a strong correlation with the overall confidence level. To maintain model calibration during optimization, we utilize a proportional-integral-derivative (PID) controller to dynamically adjust this gradient decay rate, where the adjustment relies on the proposed relative calibration error feedback in each epoch, thereby preventing the model from exhibiting over-confidence or under-confidence. Within the PID control system framework, the proposed relative calibration error serves as the control system output, providing an indication of the overall confidence level, while the gradient decay rate functions as the controlled variable. Moreover, recognizing the impact of gradient amplitude of adaptive decay rates, we implement an adaptive learning rate mechanism for gradient compensation to prevent inadequate learning of over-small or over-large gradient. Empirical experiments validate the efficacy of our PID-based adaptive gradient decay rate approach, ensuring consistent optimization of model calibration and model accuracy.
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Continual learning of partially similar tasks poses a challenge for artificial neural networks, as task similarity presents both an opportunity for knowledge transfer and a risk of interference and catastrophic forgetting. However, it remains unclear how task similarity in input features and readout patterns influences knowledge transfer and forgetting, as well as how they interact with common algorithms for continual learning. Here, we develop a linear teacher-student model with latent structure and show analytically that high input feature similarity coupled with low readout similarity is catastrophic for both knowledge transfer and retention. Conversely, the opposite scenario is relatively benign. Our analysis further reveals that task-dependent activity gating improves knowledge retention at the expense of transfer, while task-dependent plasticity gating does not affect either retention or transfer performance at the over-parameterized limit. In contrast, weight regularization based on the Fisher information metric significantly improves retention, regardless of task similarity, without compromising transfer performance. Nevertheless, its diagonal approximation and regularization in the Euclidean space are much less robust against task similarity. We demonstrate consistent results in a permuted MNIST task with latent variables. Overall, this work provides insights into when continual learning is difficult and how to mitigate it.
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Deep Reinforcement Learning (DRL) algorithms have achieved great success in solving many challenging tasks while their black-box nature hinders interpretability and real-world applicability, making it difficult for human experts to interpret and understand DRL policies. Existing works on interpretable reinforcement learning have shown promise in extracting decision tree (DT) based policies from DRL policies with most focus on the single-agent settings while prior attempts to introduce DT policies in multi-agent scenarios mainly focus on heuristic designs which do not provide any quantitative guarantees on the expected return. In this paper, we establish an upper bound on the return gap between the oracle expert policy and an optimal decision tree policy. This enables us to recast the DT extraction problem into a novel non-euclidean clustering problem over the local observation and action values space of each agent, with action values as cluster labels and the upper bound on the return gap as clustering loss. Both the algorithm and the upper bound are extended to multi-agent decentralized DT extractions by an iteratively-grow-DT procedure guided by an action-value function conditioned on the current DTs of other agents. Further, we propose the Return-Gap-Minimization Decision Tree (RGMDT) algorithm, which is a surprisingly simple design and is integrated with reinforcement learning through the utilization of a novel Regularized Information Maximization loss. Evaluations on tasks like D4RL show that RGMDT significantly outperforms heuristic DT-based baselines and can achieve nearly optimal returns under given DT complexity constraints (e.g., maximum number of DT nodes).
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This paper presents M$^3$GPT, an advanced $\textbf{M}$ultimodal, $\textbf{M}$ultitask framework for $\textbf{M}$otion comprehension and generation. M$^3$GPT operates on three fundamental principles. The first focuses on creating a unified representation space for various motion-relevant modalities. We employ discrete vector quantization for multimodal conditional signals, such as text, music and motion/dance, enabling seamless integration into a large language model (LLM) with a single vocabulary. The second involves modeling motion generation directly in the raw motion space. This strategy circumvents the information loss associated with a discrete tokenizer, resulting in more detailed and comprehensive motion generation. Third, M$^3$GPT learns to model the connections and synergies among various motion-relevant tasks. Text, the most familiar and well-understood modality for LLMs, is utilized as a bridge to establish connections between different motion tasks, facilitating mutual reinforcement. To our knowledge, M$^3$GPT is the first model capable of comprehending and generating motions based on multiple signals. Extensive experiments highlight M$^3$GPT's superior performance across various motion-relevant tasks and its powerful zero-shot generalization capabilities for extremely challenging tasks. Project page: \url{https://github.com/luomingshuang/M3GPT}.
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In this work, we introduce Pixelsmith, a zero-shot text-to-image generative framework to sample images at higher resolutions with a single GPU. We are the first to show that it is possible to scale the output of a pre-trained diffusion model by a factor of 1000, opening the road to gigapixel image generation at no extra cost. Our cascading method uses the image generated at the lowest resolution as baseline to sample at higher resolutions. For the guidance, we introduce the Slider, a mechanism that fuses the overall structure contained in the first-generated image with enhanced fine details. At each inference step, we denoise patches rather than the entire latent space, minimizing memory demands so that a single GPU can handle the process, regardless of the image's resolution. Our experimental results show that this method not only achieves higher quality and diversity compared to existing techniques but also reduces sampling time and ablation artifacts.
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Due to the impressive zero-shot capabilities, pre-trained vision-language models (e.g. CLIP), have attracted widespread attention and adoption across various domains. Nonetheless, CLIP has been observed to be susceptible to adversarial examples. Through experimental analysis, we have observed a phenomenon wherein adversarial perturbations induce shifts in text-guided attention. Building upon this observation, we propose a simple yet effective strategy: Text-Guided Attention for Zero-Shot Robustness (TGA-ZSR). This framework incorporates two components: the Attention Refinement module and the Attention-based Model Constraint module. Our goal is to maintain the generalization of the CLIP model and enhance its adversarial robustness: The Attention Refinement module aligns the text-guided attention obtained from the target model via adversarial examples with the text-guided attention acquired from the original model via clean examples. This alignment enhances the model’s robustness. Additionally, the Attention-based Model Constraint module acquires text-guided attention from both the target and original models using clean examples. Its objective is to maintain model performance on clean samples while enhancing overall robustness. The experiments validate that our method yields a 9.58% enhancement in zero-shot robust accuracy over the current state-of-the-art techniques across 16 datasets. Our code is available at https://github.com/zhyblue424/TGA-ZSR.
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Adapting to distribution shifts is a critical challenge in modern machine learning, especially as data in many real-world applications accumulate continuously in the form of streams. We investigate the problem of sequentially adapting a model to non-stationary environments, where the data distribution is continuously shifting and only a small amount of unlabeled data are available each time. Continual test-time adaptation methods have shown promising results by using reliable pseudo-labels, but they still fall short in exploring representation alignment with the source domain in non-stationary environments. In this paper, we propose to leverage non-stationary representation learning to adaptively align the unlabeled data stream, with its changing distributions, to the source data representation using a sketch of the source data. To alleviate the data scarcity in non-stationary representation learning, we propose a novel adaptive representation alignment algorithm called Ada-ReAlign. This approach employs a group of base learners to explore different lengths of the unlabeled data stream, which are adaptively combined by a meta learner to handle unknown and continuously evolving data distributions. The proposed method comes with nice theoretical guarantees under convexity assumptions. Experiments on both benchmark datasets and a real-world application validate the effectiveness and adaptability of our proposed algorithm.
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Implicit neural representations (INRs) have proven effective in various tasks including image, shape, audio, and video reconstruction. These INRs typically learn the implicit field from sampled input points. This is often done using a single network for the entire domain, imposing many global constraints on a single function. In this paper, we propose a mixture of experts (MoE) implicit neural representation approach that enables learning local piece-wise continuous functions that simultaneously learns to subdivide the domain and fit it locally. We show that incorporating a mixture of experts architecture into existing INR formulations provides a boost in speed, accuracy, and memory requirements. Additionally, we introduce novel conditioning and pretraining methods for the gating network that improves convergence to the desired solution. We evaluate the effectiveness of our approach on multiple reconstruction tasks, including surface reconstruction, image reconstruction, and audio signal reconstruction and show improved performance compared to non-MoE methods. Code is available at our project page https://sitzikbs.github.io/neural-experts-projectpage/ .
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Gradient estimation is critical in zeroth-order optimization methods, which aims to obtain the descent direction by sampling update directions and querying function evaluations. Extensive research has been conducted including smoothing and linear interpolation. The former methods smooth the objective function, causing a biased gradient estimation, while the latter often enjoys more accurate estimates, at the cost of large amounts of samples and queries at each iteration to update variables. This paper resorts to the linear interpolation strategy and proposes to reduce the complexity of gradient estimation by reusing queries in the prior iterations while maintaining the sample size unchanged. Specifically, we model the gradient estimation as a quadratically constrained linear program problem and manage to derive the analytical solution. It innovatively decouples the required sample size from the variable dimension without extra conditions required, making it able to leverage the queries in the prior iterations. Moreover, part of the intermediate variables that contribute to the gradient estimation can be directly indexed, significantly reducing the computation complexity. Experiments on both simulation functions and real scenarios (black-box adversarial attacks neural architecture search, and parameter-efficient fine-tuning for large language models), show its efficacy and efficiency. Our code is available at https://github.com/Thinklab-SJTU/ReLIZO.git.
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Large Language Models (LLMs) are typically trained in two phases: pre-training on large internet-scale datasets, and fine-tuning for downstream tasks. Given the higher computational demand of pre-training, it is intuitive to assume that fine-tuning adds less new information to the model, and is thus more compressible. We explore this assumption by decomposing the weights of fine-tuned models into their pre-trained components and an additional delta. We introduce a simple method, BitDelta, which successfully quantizes this delta down to 1 bit without compromising performance. This interesting finding not only highlights the potential redundancy of information added during fine-tuning, but also has significant implications for the multi-tenant serving and multi-tenant storage of fine-tuned models. By enabling the use of a single high-precision base model accompanied by multiple 1-bit deltas, BitDelta dramatically reduces GPU memory requirements by more than 10x, thus reducing per-user generation latency by more than 10x in multi-tenant settings. We validate BitDelta through experiments across Llama-2, Mistral and MPT model families, and on models up to 70B parameters, showcasing minimal performance degradation in all tested settings.
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We consider the fixed-confidence best arm identification (FC-BAI) problem in the Bayesian setting. This problem aims to find the arm of the largest mean with a fixed confidence level when the bandit model has been sampled from the known prior. Most studies on the FC-BAI problem have been conducted in the frequentist setting, where the bandit model is predetermined before the game starts. We show that the traditional FC-BAI algorithms studied in the frequentist setting, such as track-and-stop and top-two algorithms, result in arbitrarily suboptimal performances in the Bayesian setting. We also obtain a lower bound of the expected number of samples in the Bayesian setting and introduce a variant of successive elimination that has a matching performance with the lower bound up to a logarithmic factor. Simulations verify the theoretical results.
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Autonomous driving demands an integrated approach that encompasses perception, prediction, and planning, all while operating under strict energy constraints to enhance scalability and environmental sustainability. We present Spiking Autonomous Driving (SAD), the first unified Spiking Neural Network (SNN) to address the energy challenges faced by autonomous driving systems through its event-driven and energy-efficient nature. SAD is trained end-to-end and consists of three main modules: perception, which processes inputs from multi-view cameras to construct a spatiotemporal bird's eye view; prediction, which utilizes a novel dual-pathway with spiking neurons to forecast future states; and planning, which generates safe trajectories considering predicted occupancy, traffic rules, and ride comfort. Evaluated on the nuScenes dataset, SAD achieves competitive performance in perception, prediction, and planning tasks, while drawing upon the energy efficiency of SNNs. This work highlights the potential of neuromorphic computing to be applied to energy-efficient autonomous driving, a critical step toward sustainable and safety-critical automotive technology. Our code is available at [https://github.com/ridgerchu/SAD](https://github.com/ridgerchu/SAD).
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Many structured prediction and reasoning tasks can be framed as program synthesis problems, where the goal is to generate a program in a \emph{domain-specific language} (DSL) that transforms input data into the desired output. Unfortunately, purely neural approaches, such as large language models (LLMs), often fail to produce fully correct programs in unfamiliar DSLs, while purely symbolic methods based on combinatorial search scale poorly to complex problems. Motivated by these limitations, we introduce a hybrid approach, where LLM completions for a given task are used to learn a task-specific, context-free surrogate model, which is then used to guide program synthesis. We evaluate this hybrid approach on three domains, and show that it outperforms both unguided search and direct sampling from LLMs, as well as existing program synthesizers.
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People with brain or spinal cord-related paralysis often need to rely on others for basic tasks, limiting their independence. A potential solution is brain-machine interfaces (BMIs), which could allow them to voluntarily control external devices (e.g., robotic arm) by decoding brain activity to movement commands. In the past decade, deep-learning decoders have achieved state-of-the-art results in most BMI applications, ranging from speech production to finger control. However, the 'black-box' nature of deep-learning decoders could lead to unexpected behaviors, resulting in major safety concerns in real-world physical control scenarios. In these applications, explainable but lower-performing decoders, such as the Kalman filter (KF), remain the norm. In this study, we designed a BMI decoder based on KalmanNet, an extension of the KF that augments its operation with recurrent neural networks to compute the Kalman gain. This results in a varying “trust” that shifts between inputs and dynamics. We used this algorithm to predict finger movements from the brain activity of two monkeys. We compared KalmanNet results offline (pre-recorded data, $n=13$ days) and online (real-time predictions, $n=5$ days) with a simple KF and two recent deep-learning algorithms: tcFNN (non-ReFIT version) and LSTM. KalmanNet achieved comparable or better results than other deep learning models in offline and online modes, relying on the dynamical model for stopping while depending more on neural inputs for initiating movements. We further validated this mechanism by implementing a heteroscedastic KF that used the same strategy, and it also approached state-of-the-art performance while remaining in the explainable domain of standard KFs. However, we also see two downsides to KalmanNet. KalmanNet shares the limited generalization ability of existing deep-learning decoders, and its usage of the KF as an inductive bias limits its performance in the presence of unseen noise distributions. Despite this trade-off, our analysis successfully integrates traditional controls and modern deep-learning approaches to motivate high-performing yet still explainable BMI designs.
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This paper presents Diffusion Forcing, a new training paradigm where a diffusion model is trained to denoise a set of tokens with independent per-token noise levels. We apply Diffusion Forcing to sequence generative modeling by training a causal next-token prediction model to generate one or several future tokens without fully diffusing past ones. Our approach is shown to combine the strengths of next-token prediction models, such as variable-length generation, with the strengths of full-sequence diffusion models, such as the ability to guide sampling to desirable trajectories. Our method offers a range of additional capabilities, such as (1) rolling-out sequences of continuous tokens, such as video, with lengths past the training horizon, where baselines diverge and (2) new sampling and guiding schemes that uniquely profit from Diffusion Forcing's variable-horizon and causal architecture, and which lead to marked performance gains in decision-making and planning tasks. In addition to its empirical success, our method is proven to optimize a variational lower bound on the likelihoods of all subsequences of tokens drawn from the true joint distribution. Project website: https://boyuan.space/diffusion-forcing/
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When prompting a language model (LM), users often expect the model to adhere to a set of behavioral principles across diverse tasks, such as producing insightful content while avoiding harmful or biased language. Instilling such principles (i.e., a constitution) into a model is resource-intensive, technically challenging, and generally requires human preference labels or examples. We introduce SAMI, an iterative algorithm that finetunes a pretrained language model (without requiring preference labels or demonstrations) to increase the conditional mutual information between constitutions and self-generated responses given queries from a dataset. On single-turn dialogue and summarization, a SAMI-trained mistral-7b outperforms the initial pretrained model, with win rates between 66% and 77%. Strikingly, it also surpasses an instruction-finetuned baseline (mistral-7b-instruct) with win rates between 55% and 57% on single-turn dialogue. SAMI requires a model that writes the principles. To avoid dependence on strong models for writing principles, we align a strong pretrained model (mixtral-8x7b) using constitutions written by a weak instruction-finetuned model (mistral-7b-instruct), achieving a 65% win rate on summarization. Finally, we investigate whether SAMI generalizes to diverse summarization principles (e.g., "summaries should be scientific") and scales to stronger models (llama3-70b), finding that it achieves win rates of up to 68% for learned and 67% for held-out principles compared to the base model. Our results show that a pretrained LM can learn to follow constitutions without using preference labels, demonstrations, or human oversight.
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The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we consider it as the dominant modality and present an innovative Language-dominated Noise-resistant Learning Network (LNLN) to achieve robust MSA. The proposed LNLN features a dominant modality correction (DMC) module and dominant modality based multimodal learning (DMML) module, which enhances the model's robustness across various noise scenarios by ensuring the quality of dominant modality representations. Aside from the methodical design, we perform comprehensive experiments under random data missing scenarios, utilizing diverse and meaningful settings on several popular datasets (e.g., MOSI, MOSEI, and SIMS), providing additional uniformity, transparency, and fairness compared to existing evaluations in the literature. Empirically, LNLN consistently outperforms existing baselines, demonstrating superior performance across these challenging and extensive evaluation metrics.
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Stochastic smooth nonconvex minimax problems are prevalent in machine learning, e.g., GAN training, fair classification, and distributionally robust learning. Stochastic gradient descent ascent (GDA)-type methods are popular in practice due to their simplicity and single-loop nature. However, there is a significant gap between the theory and practice regarding high-probability complexity guarantees for these methods on stochastic nonconvex minimax problems. Existing high-probability bounds for GDA-type single-loop methods only apply to convex/concave minimax problems and to particular non-monotone variational inequality problems under some restrictive assumptions. In this work, we address this gap by providing the first high-probability complexity guarantees for nonconvex/PL minimax problems corresponding to a smooth function that satisfies the PL-condition in the dual variable. Specifically, we show that when the stochastic gradients are light-tailed, the smoothed alternating GDA method can compute an $\varepsilon$-stationary point within $\mathcal{O}(\frac{\ell \kappa^2 \delta^2}{\varepsilon^4} + \frac{\kappa}{\varepsilon^2}(\ell+\delta^2\log({1}/{\bar{q}})))$ stochastic gradient calls with probability at least $1-\bar{q}$ for any $\bar{q}\in(0,1)$, where $\mu$ is the PL constant, $\ell$ is the Lipschitz constant of the gradient, $\kappa=\ell/\mu$ is the condition number, and $\delta^2$ denotes a bound on the variance of stochastic gradients. We also present numerical results on a nonconvex/PL problem with synthetic data and on distributionally robust optimization problems with real data, illustrating our theoretical findings.
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Increasing the throughput of the Transformer architecture, a foundational component used in numerous state-of-the-art models for vision and language tasks (e.g., GPT, LLaVa), is an important problem in machine learning. One recent and effective strategy is to merge token representations within Transformer models, aiming to reduce computational and memory requirements while maintaining accuracy. Prior work has proposed algorithms based on Bipartite Soft Matching (BSM), which divides tokens into distinct sets and merges the top $k$ similar tokens. However, these methods have significant drawbacks, such as sensitivity to token-splitting strategies and damage to informative tokens in later layers. This paper presents a novel paradigm called PiToMe, which prioritizes the preservation of informative tokens using an additional metric termed the \textit{energy score}. This score identifies large clusters of similar tokens as high-energy, indicating potential candidates for merging, while smaller (unique and isolated) clusters are considered as low-energy and preserved. Experimental findings demonstrate that PiToMe saved from 40-60\% FLOPs of the base models while exhibiting superior off-the-shelf performance on image classification (0.5\% average performance drop of ViT-MAEH compared to 2.6\% as baselines), image-text retrieval (0.3\% average performance drop of Clip on Flick30k compared to 4.5\% as others), and analogously in visual questions answering with LLaVa-7B. Furthermore, PiToMe is theoretically shown to preserve intrinsic spectral properties to the original token space under mild conditions.
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Distributed learning has emerged as a leading paradigm for training large machine learning models. However, in real-world scenarios, participants may be unreliable or malicious, posing a significant challenge to the integrity and accuracy of the trained models. Byzantine fault tolerance mechanisms have been proposed to address these issues, but they often assume full participation from all clients, which is not always practical due to the unavailability of some clients or communication constraints. In our work, we propose the first distributed method with client sampling and provable tolerance to Byzantine workers. The key idea behind the developed method is the use of gradient clipping to control stochastic gradient differences in recursive variance reduction. This allows us to bound the potential harm caused by Byzantine workers, even during iterations when all sampled clients are Byzantine. Furthermore, we incorporate communication compression into the method to enhance communication efficiency. Under general assumptions, we prove convergence rates for the proposed method that match the existing state-of-the-art (SOTA) theoretical results. We also propose a heuristic on how to adjust any Byzantine-robust method to a partial participation scenario via clipping.
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Popular parameter-efficient fine-tuning (PEFT) methods, such as LoRA and its variants, freeze pre-trained model weights $\(\mathbf{W}\)$ and inject learnable matrices $\(\mathbf{\Delta W}\)$. These $\(\mathbf{\Delta W}\)$ matrices are structured for efficient parameterization, often using techniques like low-rank approximations or scaling vectors. However, these methods typically exhibit a performance gap compared to full fine-tuning. While recent PEFT methods have narrowed this gap, they do so at the expense of additional learnable parameters. We propose SVFT, a *simple* approach that structures $\(\mathbf{\Delta W}\)$ based on the specific weight matrix $\(\mathbf{W}\)$. SVFT updates $\(\mathbf{W}\)$ as a sparse combination $\(M\)$ of outer products of its singular vectors, training only the coefficients of these combinations. Crucially, we make additional off-diagonal elements in $M$ learnable, enabling a smooth trade-off between trainable parameters and expressivity—an aspect that distinctly sets our approach apart from previous works leveraging singular values. Extensive experiments on language and vision benchmarks show that SVFT recovers up to **96%** of full fine-tuning performance while training only **0.006 to 0.25%** of parameters, outperforming existing methods that achieve only up to **{85\%}** performance with **0.03 to 0.8%** of the trainable parameter budget.
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Contextual bandit algorithms aim to identify the optimal arm with the highest reward among a set of candidates, based on the accessible contextual information. Among these algorithms, neural contextual bandit methods have shown generally superior performances against linear and kernel ones, due to the representation power of neural networks. However, similar to other neural network applications, neural bandit algorithms can be vulnerable to adversarial attacks or corruptions on the received labels (i.e., arm rewards), which can lead to unexpected performance degradation without proper treatments. As a result, it is necessary to improve the robustness of neural bandit models against potential reward corruptions. In this work, we propose a novel neural contextual bandit algorithm named R-NeuralUCB, which utilizes a novel context-aware Gradient Descent (GD) training strategy to improve the robustness against adversarial reward corruptions. Under over-parameterized neural network settings, we provide regret analysis for R-NeuralUCB to quantify reward corruption impacts, without the commonly adopted arm separateness assumption in existing neural bandit works. We also conduct experiments against baselines on real data sets under different scenarios, in order to demonstrate the effectiveness of our proposed R-NeuralUCB.
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Gradient compression is a popular technique for improving communication complexity of stochastic first-order methods in distributed training of machine learning models. However, the existing works consider only with-replacement sampling of stochastic gradients. In contrast, it is well-known in practice and recently confirmed in theory that stochastic methods based on without-replacement sampling, e.g., Random Reshuffling (RR) method, perform better than ones that sample the gradients with-replacement. In this work, we close this gap in the literature and provide the first analysis of methods with gradient compression and without-replacement sampling. We first develop a distributed variant of random reshuffling with gradient compression (Q-RR), and show how to reduce the variance coming from gradient quantization through the use of control iterates. Next, to have a better fit to Federated Learning applications, we incorporate local computation and propose a variant of Q-RR called Q-NASTYA. Q-NASTYA uses local gradient steps and different local and global stepsizes. Next, we show how to reduce compression variance in this setting as well. Finally, we prove the convergence results for the proposed methods and outline several settings in which they improve upon existing algorithms.
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Presently, pseudo-labeling stands as a prevailing approach in cross-domain semantic segmentation, enhancing model efficacy by training with pixels assigned with reliable pseudo-labels. However, we identify two key limitations within this paradigm: (1) under relatively severe domain shifts, most selected reliable pixels appear speckled and remain noisy. (2) when dealing with wild data, some pixels belonging to the open-set class may exhibit high confidence and also appear speckled. These two points make it difficult for the pixel-level selection mechanism to identify and correct these speckled close- and open-set noises. As a result, error accumulation is continuously introduced into subsequent self-training, leading to inefficiencies in pseudo-labeling. To address these limitations, we propose a novel method called Semantic Connectivity-driven Pseudo-labeling (SeCo). SeCo formulates pseudo-labels at the connectivity level, which makes it easier to locate and correct closed and open set noise. Specifically, SeCo comprises two key components: Pixel Semantic Aggregation (PSA) and Semantic Connectivity Correction (SCC). Initially, PSA categorizes semantics into ``stuff'' and ``things'' categories and aggregates speckled pseudo-labels into semantic connectivity through efficient interaction with the Segment Anything Model (SAM). This enables us not only to obtain accurate boundaries but also simplifies noise localization. Subsequently, SCC introduces a simple connectivity classification task, which enables us to locate and correct connectivity noise with the guidance of loss distribution. Extensive experiments demonstrate that SeCo can be flexibly applied to various cross-domain semantic segmentation tasks, \textit{i.e.} domain generalization and domain adaptation, even including source-free, and black-box domain adaptation, significantly improving the performance of existing state-of-the-art methods. The code is provided in the appendix and will be open-source.
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In tasks aiming for long-term returns, planning becomes essential. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent variable to connect a Transformer- based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs. In learning, posterior sampling of the latent variable naturally integrates sub-trajectories to form a consistent abstrac- tion despite the finite context. At test time, the latent variable is inferred from an expected return before policy execution, realizing the idea of planning as inference. Our experiments demonstrate that LPT can discover improved decisions from sub- optimal trajectories, achieving competitive performance across several benchmarks, including Gym-Mujoco, Franka Kitchen, Maze2D, and Connect Four. It exhibits capabilities in nuanced credit assignments, trajectory stitching, and adaptation to environmental contingencies. These results validate that latent variable inference can be a strong alternative to step-wise reward prompting.
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Linear RNN architectures, like Mamba, can be competitive with Transformer models in language modeling while having advantageous deployment characteristics. Given the focus on training large-scale Transformer models, we consider the challenge of converting these pretrained models for deployment. We demonstrate that it is feasible to distill large Transformers into linear RNNs by reusing the linear projection weights from attention layers with academic GPU resources. The resulting hybrid model, which incorporates a quarter of the attention layers, achieves performance comparable to the original Transformer in chat benchmarks and outperforms open-source hybrid Mamba models trained from scratch with trillions of tokens in both chat benchmarks and general benchmarks. Moreover, we introduce a hardware-aware speculative decoding algorithm that accelerates the inference speed of Mamba and hybrid models. Overall we show how, with limited computation resources, we can remove many of the original attention layers and generate from the resulting model more efficiently. Our top-performing model, distilled from Llama3-8B-Instruct, achieves a 29.61 length-controlled win rate on AlpacaEval 2 against GPT-4 and 7.35 on MT-Bench, surpassing the best 8B scale instruction-tuned linear RNN model.
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We provide space complexity lower bounds for data structures that approximate logistic loss up to $\epsilon$-relative error on a logistic regression problem with data $\mathbf{X} \in \mathbb{R}^{n \times d}$ and labels $\mathbf{y} \in \\{-1,1\\}^d$. The space complexity of existing coreset constructions depend on a natural complexity measure $\mu_\mathbf{y}(\mathbf{X})$. We give an $\tilde{\Omega}(\frac{d}{\epsilon^2})$ space complexity lower bound in the regime $\mu_\mathbf{y}(\mathbf{X}) = \mathcal{O}(1)$ that shows existing coresets are optimal in this regime up to lower order factors. We also prove a general $\tilde{\Omega}(d\cdot \mu_\mathbf{y}(\mathbf{X}))$ space lower bound when $\epsilon$ is constant, showing that the dependency on $\mu_\mathbf{y}(\mathbf{X})$ is not an artifact of mergeable coresets. Finally, we refute a prior conjecture that $\mu_\mathbf{y}(\mathbf{X})$ is hard to compute by providing an efficient linear programming formulation, and we empirically compare our algorithm to prior approximate methods.
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Data valuation has emerged as a powerful framework for quantifying each datum's contribution to the training of a machine learning model. However, it is crucial to recognize that the quality of cells within a single data point can vary greatly in practice. For example, even in the case of an abnormal data point, not all cells are necessarily noisy. The single scalar score assigned by existing data valuation methods blurs the distinction between noisy and clean cells of a data point, making it challenging to interpret the data values. In this paper, we propose 2D-OOB, an out-of-bag estimation framework for jointly determining helpful (or detrimental) samples as well as the particular cells that drive them. Our comprehensive experiments demonstrate that 2D-OOB achieves state-of-the-art performance across multiple use cases while being exponentially faster. Specifically, 2D-OOB shows promising results in detecting and rectifying fine-grained outliers at the cell level, and localizing backdoor triggers in data poisoning attacks.
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Posterior sampling in contextual bandits with a Gaussian prior can be implemented exactly or approximately using the Laplace approximation. The Gaussian prior is computationally efficient but it cannot describe complex distributions. In this work, we propose approximate posterior sampling algorithms for contextual bandits with a diffusion model prior. The key idea is to sample from a chain of approximate conditional posteriors, one for each stage of the reverse diffusion process, which are obtained by the Laplace approximation. Our approximations are motivated by posterior sampling with a Gaussian prior, and inherit its simplicity and efficiency. They are asymptotically consistent and perform well empirically on a variety of contextual bandit problems.
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Foundation models are applied in a broad spectrum of settings with different inference constraints, from massive multi-accelerator clusters to resource-constrained standalone mobile devices. However, the substantial costs associated with training these models often limit the number of unique model sizes that can be offered. Consequently, practitioners are compelled to select a model that may not be optimally aligned with their specific latency and cost requirements. We present MatFormer, a novel Transformer architecture designed to provide elastic inference across diverse deployment constraints. MatFormer achieves this by incorporating a nested Feed Forward Network (FFN) block structure within a standard Transformer model. During training, we optimize the parameters of multiple nested FFN blocks with varying sizes, enabling the extraction of hundreds of accurate smaller models without incurring additional computational costs. We empirically validate the efficacy of MatFormer across different model classes (decoders and encoders) and modalities (language and vision), demonstrating its potential for real-world deployment. We show that a 850M decoder-only MatFormer language model (MatLM) allows us to extract multiple smaller models spanning from 582M to 850M parameters, each exhibiting better validation loss and one-shot downstream evaluations than independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can lead to significant reduction in inference latency.
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Technological advances in medical data collection, such as high-throughput genomic sequencing and digital high-resolution histopathology, have contributed to the rising requirement for multimodal biomedical modelling, specifically for image, tabular and graph data. Most multimodal deep learning approaches use modality-specific architectures that are often trained separately and cannot capture the crucial cross-modal information that motivates the integration of different data sources. This paper presents the **H**ybrid **E**arly-fusion **A**ttention **L**earning **Net**work (HEALNet) – a flexible multimodal fusion architecture, which: a) preserves modality-specific structural information, b) captures the cross-modal interactions and structural information in a shared latent space, c) can effectively handle missing modalities during training and inference, and d) enables intuitive model inspection by learning on the raw data input instead of opaque embeddings. We conduct multimodal survival analysis on Whole Slide Images and Multi-omic data on four cancer datasets from The Cancer Genome Atlas (TCGA). HEALNet achieves state-of-the-art performance compared to other end-to-end trained fusion models, substantially improving over unimodal and multimodal baselines whilst being robust in scenarios with missing modalities. The code is available at https://github.com/konst-int-i/healnet.
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As Large Language Models (LLMs) are integrated into critical real-world applications, their strategic and logical reasoning abilities are increasingly crucial. This paper evaluates LLMs' reasoning abilities in competitive environments through game-theoretic tasks, e.g., board and card games that require pure logic and strategic reasoning to compete with opponents. We first propose GTBench, a language-driven environment composing 10 widely-recognized tasks, across a comprehensive game taxonomy: complete versus incomplete information, dynamic versus static, and probabilistic versus deterministic scenarios. Then, we (1) Characterize the game-theoretic reasoning of LLMs; and (2) Perform LLM-vs.-LLM competitions as reasoning evaluation. We observe that (1) LLMs have distinct behaviors regarding various gaming scenarios; for example, LLMs fail in complete and deterministic games yet they are competitive in probabilistic gaming scenarios; (2) Most open-source LLMs, e.g., CodeLlama-34b-Instruct and Llama-2-70b-chat, are less competitive than commercial LLMs, e.g., GPT-4, in complex games, yet the recently released Llama-3-70b-Instruct makes up for this shortcoming. In addition, code-pretraining greatly benefits strategic reasoning, while advanced reasoning methods such as Chain-of-Thought (CoT) and Tree-of-Thought (ToT) do not always help. We further characterize the game-theoretic properties of LLMs, such as equilibrium and Pareto Efficiency in repeated games. Detailed error profiles are provided for a better understanding of LLMs' behavior. We hope our research provides standardized protocols and serves as a foundation to spur further explorations in the strategic reasoning of LLMs.
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The rapid progress in artificial intelligence-generated content (AIGC), especially with diffusion models, has significantly advanced development of high-quality video generation. However, current video diffusion models exhibit demanding computational requirements and high peak memory usage, especially for generating longer and higher-resolution videos. These limitations greatly hinder the practical application of video diffusion models on standard hardware platforms. To tackle this issue, we present a novel, training-free framework named Streamlined Inference, which leverages the temporal and spatial properties of video diffusion models. Our approach integrates three core components: Feature Slicer, Operator Grouping, and Step Rehash. Specifically, Feature Slicer effectively partitions input features into sub-features and Operator Grouping processes each sub-feature with a group of consecutive operators, resulting in significant memory reduction without sacrificing the quality or speed. Step Rehash further exploits the similarity between adjacent steps in diffusion, and accelerates inference through skipping unnecessary steps. Extensive experiments demonstrate that our approach significantly reduces peak memory and computational overhead, making it feasible to generate high-quality videos on a single consumer GPU (e.g., reducing peak memory of Animatediff from 42GB to 11GB, featuring faster inference on 2080Ti).
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Graph data are inherently complex and heterogeneous, leading to a high natural diversity of distributional shifts. However, it remains unclear how to build machine learning architectures that generalize to the complex distributional shifts naturally occurring in the real world. Here, we develop GraphMETRO, a Graph Neural Network architecture that models natural diversity and captures complex distributional shifts. GraphMETRO employs a Mixture-of-Experts (MoE) architecture with a gating model and multiple expert models, where each expert model targets a specific distributional shift to produce a referential representation w.r.t. a reference model, and the gating model identifies shift components. Additionally, we design a novel objective that aligns the representations from different expert models to ensure reliable optimization. GraphMETRO achieves state-of-the-art results on four datasets from the GOOD benchmark, which is comprised of complex and natural real-world distribution shifts, improving by 67% and 4.2% on the WebKB and Twitch datasets. Code and data are available at https://github.com/Wuyxin/GraphMETRO.
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Imitation learning has proven to be a powerful tool for training complex visuo-motor policies. However, current methods often require hundreds to thousands of expert demonstrations to handle high-dimensional visual observations. A key reason for this poor data efficiency is that visual representations are predominantly either pretrained on out-of-domain data or trained directly through a behavior cloning objective. In this work, we present DynaMo, a new in-domain, self-supervised method for learning visual representations. Given a set of expert demonstrations, we jointly learn a latent inverse dynamics model and a forward dynamics model over a sequence of image embeddings, predicting the next frame in latent space, without augmentations, contrastive sampling, or access to ground truth actions. Importantly, DynaMo does not require any out-of-domain data such as Internet datasets or cross-embodied datasets. On a suite of six simulated and real environments, we show that representations learned with DynaMo significantly improve downstream imitation learning performance over prior self-supervised learning objectives, and pretrained representations. Gains from using DynaMo hold across policy classes such as Behavior Transformer, Diffusion Policy, MLP, and nearest neighbors. Finally, we ablate over key components of DynaMo and measure its impact on downstream policy performance. Robot videos are best viewed at https://dynamo-ssl.github.io.
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Large language model (LLM) agents have demonstrated impressive capabilities in utilizing external tools and knowledge to boost accuracy and reduce hallucinations. However, developing prompting techniques that enable LLM agents to effectively use these tools and knowledge remains a heuristic and labor-intensive task. Here, we introduce AvaTaR, a novel and automated framework that optimizes an LLM agent to effectively leverage provided tools, improving performance on a given task. During optimization, we design a comparator module to iteratively deliver insightful and comprehensive prompts to the LLM agent by contrastively reasoning between positive and negative examples sampled from training data. We demon- strate AvaTaR on four complex multimodal retrieval datasets featuring textual, visual, and relational information, and three general question-answering (QA) datasets. We find AvaTaR consistently outperforms state-of-the-art approaches across all seven tasks, exhibiting strong generalization ability when applied to novel cases and achieving an average relative improvement of 14% on the Hit@1 metric for the retrieval datasets and 13% for the QA datasets. Code and dataset are available at https://github.com/zou-group/avatar.
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State Space Models (SSMs) have the advantage of keeping linear computational complexity compared to attention modules in transformers, and have been applied to vision tasks as a new type of powerful vision foundation model. Inspired by the observations that the final prediction in vision transformers (ViTs) is only based on a subset of most informative tokens, we take the novel step of enhancing the efficiency of SSM-based vision models through token-based pruning. However, direct applications of existing token pruning techniques designed for ViTs fail to deliver good performance, even with extensive fine-tuning. To address this issue, we revisit the unique computational characteristics of SSMs and discover that naive application disrupts the sequential token positions. This insight motivates us to design a novel and general token pruning method specifically for SSM-based vision models. We first introduce a pruning-aware hidden state alignment method to stabilize the neighborhood of remaining tokens for performance enhancement. Besides, based on our detailed analysis, we propose a token importance evaluation method adapted for SSM models, to guide the token pruning. With efficient implementation and practical acceleration methods, our method brings actual speedup. Extensive experiments demonstrate that our approach can achieve significant computation reduction with minimal impact on performance across different tasks. Notably, we achieve 81.7\% accuracy on ImageNet with a 41.6\% reduction in the FLOPs for pruned PlainMamba-L3. Furthermore, our work provides deeper insights into understanding the behavior of SSM-based vision models for future research.
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The visual medium (images and videos) naturally contains a large amount of information redundancy, thereby providing a great opportunity for leveraging efficiency in processing. While Vision Transformer (ViT) based models scale effectively to large data regimes, they fail to capitalize on this inherent redundancy, leading to higher computational costs. Mixture of Experts (MoE) networks demonstrate scalability while maintaining same inference-time costs, but they come with a larger parameter footprint. We present Mixture of Nested Experts (MoNE), which utilizes a nested structure for experts, wherein individual experts fall on an increasing compute-accuracy curve. Given a compute budget, MoNE learns to dynamically choose tokens in a priority order, and thus redundant tokens are processed through cheaper nested experts. Using this framework, we achieve equivalent performance as the baseline models, while reducing inference time compute by over two-fold. We validate our approach on standard image and video datasets - ImageNet-21K, Kinetics400, and Something-Something-v2. We further highlight MoNE's adaptability by showcasing its ability to maintain strong performance across different inference-time compute budgets on videos, using only a single trained model.
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Many applications today provide users with multiple auto-complete drafts as they type, including GitHub's code completion, Gmail's smart compose, and Apple's messaging auto-suggestions. Under the hood, language models support this by running an autoregressive inference pass to provide a draft. Consequently, providing $k$ drafts to the user requires running an expensive language model $k$ times. To alleviate the computation cost of running $k$ inference passes, we propose Superposed Decoding, a new decoding algorithm that generates $k$ drafts at the computation cost of one autoregressive inference pass. We achieve this by feeding a superposition of the most recent token embeddings from the $k$ drafts as input to the next decoding step of the language model. At every inference step we combine the $k$ drafts with the top-$k$ tokens to get $k^2$ new drafts and cache the $k$ most likely options, using an n-gram interpolation with minimal compute overhead to filter out incoherent generations. Our experiments show that $k$ drafts from Superposed Decoding are at least as coherent and factual as Nucleus Sampling and Greedy Decoding respectively, while being at least $2.44\times$ faster for $k\ge3$. In a compute-normalized setting, user evaluations demonstrably favor text generated by Superposed Decoding over Nucleus Sampling. Superposed Decoding can also be combined with other decoding strategies, resulting in universal coverage gains when scaling inference time compute. Code and more examples open-sourced at https://github.com/RAIVNLab/SuperposedDecoding.
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This paper investigates score-based diffusion models when the underlying target distribution is concentrated on or near low-dimensional manifolds within the higher-dimensional space in which they formally reside, a common characteristic of natural image distributions. Despite previous efforts to understand the data generation process of diffusion models, existing theoretical support remains highly suboptimal in the presence of low-dimensional structure, which we strengthen in this paper. For the popular Denoising Diffusion Probabilistic Model (DDPM), we find that the dependency of the error incurred within each denoising step on the ambient dimension $d$ is in general unavoidable. We further identify a unique design of coefficients that yields a converges rate at the order of $O(k^{2}/\sqrt{T})$ (up to log factors), where $k$ is the intrinsic dimension of the target distribution and $T$ is the number of steps. This represents the first theoretical demonstration that the DDPM sampler can adapt to unknown low-dimensional structures in the target distribution, highlighting the critical importance of coefficient design. All of this is achieved by a novel set of analysis tools that characterize the algorithmic dynamics in a more deterministic manner.
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Diffusion-based image generation models have achieved great success in recent years by showing the capability of synthesizing high-quality content. However, these models contain a huge number of parameters, resulting in a significantly large model size. Saving and transferring them is a major bottleneck for various applications, especially those running on resource-constrained devices. In this work, we develop a novel weight quantization method that quantizes the UNet from Stable Diffusion v1.5 to $1.99$ bits, achieving a model with $7.9\times$ smaller size while exhibiting even better generation quality than the original one. Our approach includes several novel techniques, such as assigning optimal bits to each layer, initializing the quantized model for better performance, and improving the training strategy to dramatically reduce quantization error. Furthermore, we extensively evaluate our quantized model across various benchmark datasets and through human evaluation to demonstrate its superior generation quality.
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The Segment Anything Model (SAM) is a large-scale foundation model that has revolutionized segmentation methodology. Despite its impressive generalization ability, the segmentation accuracy of SAM on images with intricate structures is often unsatisfactory. Recent works have proposed lightweight fine-tuning using high-quality annotated data to improve accuracy on such images. However, here we provide extensive empirical evidence that this strategy leads to forgetting how to "segment anything": these models lose the original generalization abilities of SAM, in the sense that they perform worse for segmentation tasks not represented in the annotated fine-tuning set. To improve performance without forgetting, we introduce a novel framework that combines high-quality annotated data with a large unlabeled dataset. The framework relies on two methodological innovations. First, we quantify the uncertainty in the SAM pseudo labels associated with the unlabeled data and leverage it to perform uncertainty-aware fine-tuning. Second, we encode the type of segmentation task associated with each training example using a $\textit{task prompt}$ to reduce ambiguity. We evaluated the proposed Segmentation with Uncertainty Model (SUM) on a diverse test set consisting of 14 public benchmarks, where it achieves state-of-the-art results. Notably, our method consistently surpasses SAM by 3-6 points in mean IoU and 4-7 in mean boundary IoU across point-prompt interactive segmentation rounds. Code is available at https://github.com/Kangningthu/SUM
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With the proposal of patching technique in time series forecasting, Transformerbased models have achieved compelling performance and gained great interest from the time series community. But at the same time, we observe a new problem that the recent Transformer-based models are overly reliant on patching to achieve ideal performance, which limits their applicability to some forecasting tasks unsuitable for patching. In this paper, we intent to handle this emerging issue. Through diving into the relationship between patching and full attention (the core mechanism in Transformer-based models), we further find out the reason behind this issue is that full attention relies overly on the guidance of patching to focus on the important time points and learn non-trivial temporal representation. Based on this finding, we propose DeformableTST as an effective solution to this emerging issue. Specifically, we propose deformable attention, a sparse attention mechanism that can better focus on the important time points by itself, to get rid of the need of patching. And we also adopt a hierarchical structure to alleviate the efficiency issue caused by the removal of patching. Experimentally, our DeformableTST achieves the consistent state-of-the-art performance in a broader range of time series tasks, especially achieving promising performance in forecasting tasks unsuitable for patching, therefore successfully reducing the reliance on patching and broadening the applicability of Transformer-based models. Code is available at this repository: https://github.com/luodhhh/DeformableTST.
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Instruction tuning improves the reasoning abilities of large language models (LLMs), with data quality and scalability being the crucial factors. Most instruction tuning data come from human crowd-sourcing or GPT-4 distillation. We propose a paradigm to efficiently harvest 10 million naturally existing instruction data from the pre-training web corpus to enhance LLM reasoning. Our approach involves (1) recalling relevant documents, (2) extracting instruction-response pairs, and (3) refining the extracted pairs using open-source LLMs. Fine-tuning base LLMs on this dataset, we build MAmmoTH2 models, which significantly boost performance on reasoning benchmarks. Notably, MAmmoTH2-7B’s (Mistral) performance increases from 11% to 36.7% on MATH and from 36% to 68.4% on GSM8K without training on any in-domain data. Further training MAmmoTH2 on public instruction tuning datasets yields MAmmoTH2-Plus, achieving state-of-the-art performance on several reasoning and chatbot benchmarks. Our work demonstrates how to harvest large-scale, high-quality instruction data without costly human annotation or GPT-4 distillation, providing a new paradigm for building better instruction tuning data.
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Current parameter-efficient fine-tuning (PEFT) methods build adapters widely agnostic of the context of downstream task to learn, or the context of important knowledge to maintain. As a result, there is often a performance gap compared to full-parameter fine-tuning, and meanwhile the fine-tuned model suffers from catastrophic forgetting of the pre-trained world knowledge. In this paper, we propose **CorDA**, a Context-oriented Decomposition Adaptation method that builds learnable **task-aware adapters** from weight decomposition oriented by the context of downstream task or the world knowledge to maintain. Concretely, we collect a few data samples, and perform singular value decomposition for each linear layer of a pre-trained LLM multiplied by the covariance matrix of the input activation using these samples. The inverse of the covariance matrix is multiplied with the decomposed components to reconstruct the original weights. By doing so, the context of the representative samples is captured through deciding the factorizing orientation. Our method enables two options, the **knowledge-preserved adaptation** and the **instruction-previewed adaptation**. For the former, we use question-answering samples to obtain the covariance matrices, and use the decomposed components with the smallest $r$ singular values to initialize a learnable adapter, with the others frozen such that the world knowledge is better preserved. For the latter, we use the instruction data from the fine-tuning task, such as math or coding, to orientate the decomposition and train the largest $r$ components that most correspond to the task to learn. We conduct extensive experiments on Math, Code, and Instruction Following tasks. Our knowledge-preserved adaptation not only achieves better performance than LoRA on fine-tuning tasks, but also mitigates the forgetting of world knowledge. Our instruction-previewed adaptation is able to further enhance the fine-tuning performance to be comparable with full fine-tuning, surpassing the state-of-the-art PEFT methods such as LoRA, DoRA, and PiSSA.
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In recent years, the merging of vast datasets with powerful computational resources has led to the emergence of large pre-trained models in the field of deep learning. However, the common practices often overgeneralize the applicability of these models, overlooking the task-specific resource constraints. To mitigate this issue, we propose \textbf{Cluster-Learngene}, which effectively clusters critical internal modules from a large ancestry model and then inherits them to initialize descendant models of elastic scales. Specifically, based on the density characteristics of attention heads, our method adaptively clusters attention heads of each layer and position-wise feed-forward networks (FFNs) in the ancestry model as the learngene. Moreover, we introduce priority weight-sharing and learnable parameter transformations that expand the learngene to initialize descendant models of elastic scales. Through extensive experimentation, we demonstrate that Cluster-Learngene not only is more efficient compared to other initialization methods but also customizes models of elastic scales according to downstream task resources.
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Multi-Task Learning (MTL) for Vision Transformer aims at enhancing the model capability by tackling multiple tasks simultaneously. Most recent works have predominantly focused on designing Mixture-of-Experts (MoE) structures and integrating Low-Rank Adaptation (LoRA) to efficiently perform multi-task learning. However, their rigid combination hampers both the optimization of MoE and the effectiveness of reparameterization of LoRA, leading to sub-optimal performance and low inference speed. In this work, we propose a novel approach dubbed Efficient Multi-Task Learning (EMTAL) by transforming a pre-trained Vision Transformer into an efficient multi-task learner during training, and reparameterizing the learned structure for efficient inference. Specifically, we firstly develop the MoEfied LoRA structure, which decomposes the pre-trained Transformer into a low-rank MoE structure and employ LoRA to fine-tune the parameters. Subsequently, we take into account the intrinsic asynchronous nature of multi-task learning and devise a learning Quality Retaining (QR) optimization mechanism, by leveraging the historical high-quality class logits to prevent a well-trained task from performance degradation. Finally, we design a router fading strategy to integrate the learned parameters into the original Transformer, archiving efficient inference. Extensive experiments on public benchmarks demonstrate the superiority of our method, compared to the state-of-the-art multi-task learning approaches.
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Deep reinforcement learning aims to learn deep neural network policies to solve large-scale decision-making problems. However, approximating policies using deep neural networks makes it difficult to interpret the learned decision-making process. To address this issue, prior works (Trivedi et al., 2021; Liu et al., 2023; Carvalho et al., 2024) proposed to use human-readable programs as policies to increase the interpretability of the decision-making pipeline. Nevertheless, programmatic policies generated by these methods struggle to effectively solve long and repetitive RL tasks and cannot generalize to even longer horizons during testing. To solve these problems, we propose the Hierarchical Programmatic Option framework (HIPO), which aims to solve long and repetitive RL problems with human-readable programs as options (low-level policies). Specifically, we propose a method that retrieves a set of effective, diverse, and compatible programs as options. Then, we learn a high-level policy to effectively reuse these programmatic options to solve reoccurring subtasks. Our proposed framework outperforms programmatic RL and deep RL baselines on various tasks. Ablation studies justify the effectiveness of our proposed search algorithm for retrieving a set of programmatic options.
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We propose a novel method to efficiently learn significant Fourier feature pairs for maximizing the power of Hilbert-Schmidt Independence Criterion~(HSIC) based independence tests. We first reinterpret HSIC in the frequency domain, which reveals its limited discriminative power due to the inability to adapt to specific frequency-domain features under the current inflexible configuration. To remedy this shortcoming, we introduce a module of learnable Fourier features, thereby developing a new criterion. We then derive a finite sample estimate of the test power by modeling the behavior of the criterion, thus formulating an optimization objective for significant Fourier feature pairs learning. We show that this optimization objective can be computed in linear time (with respect to the sample size $n$), which ensures fast independence tests. We also prove the convergence property of the optimization objective and establish the consistency of the independence tests. Extensive empirical evaluation on both synthetic and real datasets validates our method's superiority in effectiveness and efficiency, particularly in handling high-dimensional data and dealing with large-scale scenarios.
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Large Language Models (LLMs) have long held sway in the realms of artificial intelligence research. Numerous efficient techniques, including weight pruning, quantization, and distillation, have been embraced to compress LLMs, targeting memory reduction and inference acceleration, which underscore the redundancy in LLMs. However, most model compression techniques concentrate on weight optimization, overlooking the exploration of optimal architectures. Besides, traditional architecture search methods, limited by the elevated complexity with extensive parameters, struggle to demonstrate their effectiveness on LLMs. In this paper, we propose a training-free architecture search framework to identify optimal subnets that preserve the fundamental strengths of the original LLMs while achieving inference acceleration. Furthermore, after generating subnets that inherit specific weights from the original LLMs, we introduce a reformation algorithm that utilizes the omitted weights to rectify the inherited weights with a small amount of calibration data. Compared with SOTA training-free structured pruning works that can generate smaller networks, our method demonstrates superior performance across standard benchmarks. Furthermore, our generated subnets can directly reduce the usage of GPU memory and achieve inference acceleration.
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We present the first study on provably efficient randomized exploration in cooperative multi-agent reinforcement learning (MARL). We propose a unified algorithm framework for randomized exploration in parallel Markov Decision Processes (MDPs), and two Thompson Sampling (TS)-type algorithms, CoopTS-PHE and CoopTS-LMC, incorporating the perturbed-history exploration (PHE) strategy and the Langevin Monte Carlo exploration (LMC) strategy respectively, which are flexible in design and easy to implement in practice. For a special class of parallel MDPs where the transition is (approximately) linear, we theoretically prove that both CoopTS-PHE and CoopTS-LMC achieve a $\widetilde{\mathcal{O}}(d^{3/2}H^2\sqrt{MK})$ regret bound with communication complexity $\widetilde{\mathcal{O}}(dHM^2)$, where $d$ is the feature dimension, $H$ is the horizon length, $M$ is the number of agents, and $K$ is the number of episodes. This is the first theoretical result for randomized exploration in cooperative MARL. We evaluate our proposed method on multiple parallel RL environments, including a deep exploration problem (i.e., $N$-chain), a video game, and a real-world problem in energy systems. Our experimental results support that our framework can achieve better performance, even under conditions of misspecified transition models. Additionally, we establish a connection between our unified framework and the practical application of federated learning.
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Randomized smoothing is a popular certified defense against adversarial attacks. In its essence, we need to solve a problem of statistical estimation which is usually very time-consuming since we need to perform numerous (usually $10^5$) forward passes of the classifier for every point to be certified. In this paper, we review the statistical estimation problems for randomized smoothing to find out if the computational burden is necessary. In particular, we consider the (standard) task of adversarial robustness where we need to decide if a point is robust at a certain radius or not using as few samples as possible while maintaining statistical guarantees. We present estimation procedures employing confidence sequences enjoying the same statistical guarantees as the standard methods, with the optimal sample complexities for the estimation task and empirically demonstrate their good performance. Additionally, we provide a randomized version of Clopper-Pearson confidence intervals resulting in strictly stronger certificates.
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Pansharpening is a significant image fusion technique that merges the spatial content and spectral characteristics of remote sensing images to generate high-resolution multispectral images. Recently, denoising diffusion probabilistic models have been gradually applied to visual tasks, enhancing controllable image generation through low-rank adaptation (LoRA). In this paper, we introduce a spatial-spectral integrated diffusion model for the remote sensing pansharpening task, called SSDiff, which considers the pansharpening process as the fusion process of spatial and spectral components from the perspective of subspace decomposition. Specifically, SSDiff utilizes spatial and spectral branches to learn spatial details and spectral features separately, then employs a designed alternating projection fusion module (APFM) to accomplish the fusion. Furthermore, we propose a frequency modulation inter-branch module (FMIM) to modulate the frequency distribution between branches. The two components of SSDiff can perform favorably against the APFM when utilizing a LoRA-like branch-wise alternative fine-tuning method. It refines SSDiff to capture component-discriminating features more sufficiently. Finally, extensive experiments on four commonly used datasets, i.e., WorldView-3, WorldView-2, GaoFen-2, and QuickBird, demonstrate the superiority of SSDiff both visually and quantitatively. The code is available at https://github.com/Z-ypnos/SSdiff_main.
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Protein language models (PLMs) have shown remarkable capabilities in various protein function prediction tasks. However, while protein function is intricately tied to structure, most existing PLMs do not incorporate protein structure information. To address this issue, we introduce ProSST, a Transformer-based protein language model that seamlessly integrates both protein sequences and structures. ProSST incorporates a structure quantization module and a Transformer architecture with disentangled attention. The structure quantization module translates a 3D protein structure into a sequence of discrete tokens by first serializing the protein structure into residue-level local structures and then embeds them into dense vector space. These vectors are then quantized into discrete structure tokens by a pre-trained clustering model. These tokens serve as an effective protein structure representation. Furthermore, ProSST explicitly learns the relationship between protein residue token sequences and structure token sequences through the sequence-structure disentangled attention. We pre-train ProSST on millions of protein structures using a masked language model objective, enabling it to learn comprehensive contextual representations of proteins. To evaluate the proposed ProSST, we conduct extensive experiments on the zero-shot mutation effect prediction and several supervised downstream tasks, where ProSST achieves the state-of-the-art performance among all baselines. Our code and pre-trained models are publicly available.
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Vision Transformers (ViT) is known for its scalability. In this work, we target to scale down a ViT to fit in an environment with dynamic-changing resource constraints. We observe that smaller ViTs are intrinsically the sub-networks of a larger ViT with different widths. Thus, we propose a general framework, named Scala, to enable a single network to represent multiple smaller ViTs with flexible inference capability, which aligns with the inherent design of ViT to vary from widths. Concretely, Scala activates several subnets during training, introduces Isolated Activation to disentangle the smallest sub-network from other subnets, and leverages Scale Coordination to ensure each sub-network receives simplified, steady, and accurate learning objectives. Comprehensive empirical validations on different tasks demonstrate that with only one-shot training, Scala learns slimmable representation without modifying the original ViT structure and matches the performance of Separate Training. Compared with the prior art, Scala achieves an average improvement of 1.6% on ImageNet-1K with fewer parameters.
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Video representation is a long-standing problem that is crucial for various downstream tasks, such as tracking, depth prediction, segmentation, view synthesis, and editing. However, current methods either struggle to model complex motions due to the absence of 3D structure or rely on implicit 3D representations that are ill-suited for manipulation tasks. To address these challenges, we introduce a novel explicit 3D representation—video Gaussian representation—that embeds a video into 3D Gaussians. Our proposed representation models video appearance in a 3D canonical space using explicit Gaussians as proxies and associates each Gaussian with 3D motions for video motion. This approach offers a more intrinsic and explicit representation than layered atlas or volumetric pixel matrices. To obtain such a representation, we distill 2D priors, such as optical flow and depth, from foundation models to regularize learning in this ill-posed setting. Extensive applications demonstrate the versatility of our new video representation. It has been proven effective in numerous video processing tasks, including tracking, consistent video depth and feature refinement, motion and appearance editing, and stereoscopic video generation.
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Recently, federated multi-view clustering (FedMVC) has emerged to explore cluster structures in multi-view data distributed on multiple clients. Many existing approaches tend to assume that clients are isomorphic and all of them belong to either single-view clients or multi-view clients. While these methods have succeeded, they may encounter challenges in practical FedMVC scenarios involving heterogeneous hybrid views, where a mixture of single-view and multi-view clients exhibit varying degrees of heterogeneity. In this paper, we propose a novel FedMVC framework, which concurrently addresses two challenges associated with heterogeneous hybrid views, i.e., client gap and view gap. To address the client gap, we design a local-synergistic contrastive learning approach that helps single-view clients and multi-view clients achieve consistency for mitigating heterogeneity among all clients. To address the view gap, we develop a global-specific weighting aggregation method, which encourages global models to learn complementary features from hybrid views. The interplay between local-synergistic contrastive learning and global-specific weighting aggregation mutually enhances the exploration of the data cluster structures distributed on multiple clients. Theoretical analysis and extensive experiments demonstrate that our method can handle the heterogeneous hybrid views in FedMVC and outperforms state-of-the-art methods.
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Diffusion models have emerged as a promising approach for behavior cloning (BC), leveraging their exceptional ability to model multi-modal distributions. Diffusion policies (DP) have elevated BC performance to new heights, demonstrating robust efficacy across diverse tasks, coupled with their inherent flexibility and ease of implementation. Despite the increasing adoption of Diffusion Policies (DP) as a foundation for policy generation, the critical issue of safety remains largely unexplored. While previous attempts have targeted deep policy networks, DP used diffusion models as the policy network, making it ineffective to be attacked using previous methods because of its chained structure and randomness injected. In this paper, we undertake a comprehensive examination of DP safety concerns by introducing adversarial scenarios, encompassing offline and online attacks, global and patch-based attacks. We propose DP-Attacker, a suite of algorithms that can craft effective adversarial attacks across all aforementioned scenarios. We conduct attacks on pre-trained diffusion policies across various manipulation tasks. Through extensive experiments, we demonstrate that DP-Attacker has the capability to significantly decrease the success rate of DP for all scenarios. Particularly in offline scenarios, we exhibit the generation of highly transferable perturbations applicable to all frames. Furthermore, we illustrate the creation of adversarial physical patches that, when applied to the environment, effectively deceive the model. Video results are put in: https://sites.google.com/view/dp-attacker-videos/.
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Pre-trained large language models (LLMs) based on Transformer have demonstrated striking in-context learning (ICL) abilities. With a few demonstration input-label pairs, they can predict the label for an unseen input without any parameter updates. In this paper, we show an exciting phenomenon that SVD-based weight pruning can enhance ICL performance, and more surprising, pruning weights in deep layers often results in more stable performance improvements than in shallow layers. However, the underlying mechanism of those findings still remains an open question. To reveal those findings, we conduct an in-depth theoretical analysis by presenting the implicit gradient descent (GD) trajectories of ICL and giving the mutual information based generalization bounds of ICL via full implicit GD trajectories. This helps us reasonably explain the surprising experimental findings. Besides, based on all our experimental and theoretical insights, we intuitively propose a simple, model-compression and derivative-free algorithm for downstream tasks in enhancing ICL inference. Experiments on benchmark datasets and open source LLMs display the method effectiveness.
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There is a widely-spread claim that GANs are difficult to train, and GAN architectures in the literature are littered with empirical tricks. We provide evidence against this claim and build a modern GAN baseline in a more principled manner. First, we derive a well-behaved regularized relativistic GAN loss that addresses issues of mode dropping and non-convergence that were previously tackled via a bag of ad-hoc tricks. We analyze our loss mathematically and prove that it admits local convergence guarantees, unlike most existing relativistic losses. Second, this loss allows us to discard all ad-hoc tricks and replace outdated backbones used in common GANs with modern architectures. Using StyleGAN2 as an example, we present a roadmap of simplification and modernization that results in a new minimalist baseline---R3GAN. Despite being simple, our approach surpasses StyleGAN2 on FFHQ, ImageNet, CIFAR, and Stacked MNIST datasets, and compares favorably against state-of-the-art GANs and diffusion models. Code: https://www.github.com/brownvc/R3GAN
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The impressive performance of Large Language Models (LLMs) across various natural language processing tasks comes at the cost of vast computational resources and storage requirements. One-shot pruning techniques offer a way to alleviate these burdens by removing redundant weights without the need for retraining. Yet, the massive scale of LLMs often forces current pruning approaches to rely on heuristics instead of optimization-based techniques, potentially resulting in suboptimal compression. In this paper, we introduce ALPS, an optimization-based framework that tackles the pruning problem using the operator splitting technique and a preconditioned conjugate gradient-based post-processing step. Our approach incorporates novel techniques to accelerate and theoretically guarantee convergence while leveraging vectorization and GPU parallelism for efficiency. ALPS substantially outperforms state-of-the-art methods in terms of the pruning objective and perplexity reduction, particularly for highly sparse models. On the LLaMA3-8B model with 70\% sparsity, ALPS achieves a 29\% reduction in test perplexity on the WikiText dataset and a 8\% improvement in zero-shot benchmark performance compared to existing methods. Our code is available at https://github.com/mazumder-lab/ALPS.
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Worldwide geolocalization aims to locate the precise location at the coordinate level of photos taken anywhere on the Earth. It is very challenging due to 1) the difficulty of capturing subtle location-aware visual semantics, and 2) the heterogeneous geographical distribution of image data. As a result, existing studies have clear limitations when scaled to a worldwide context. They may easily confuse distant images with similar visual contents, or cannot adapt to various locations worldwide with different amounts of relevant data. To resolve these limitations, we propose **G3**, a novel framework based on Retrieval-Augmented Generation (RAG). In particular, G3 consists of three steps, i.e., **G**eo-alignment, **G**eo-diversification, and **G**eo-verification to optimize both retrieval and generation phases of worldwide geolocalization. During Geo-alignment, our solution jointly learns expressive multi-modal representations for images, GPS and textual descriptions, which allows us to capture location-aware semantics for retrieving nearby images for a given query. During Geo-diversification, we leverage a prompt ensembling method that is robust to inconsistent retrieval performance for different image queries. Finally, we combine both retrieved and generated GPS candidates in Geo-verification for location prediction. Experiments on two well-established datasets IM2GPS3k and YFCC4k verify the superiority of G3 compared to other state-of-the-art methods. Our code is available online [https://github.com/Applied-Machine-Learning-Lab/G3](https://github.com/Applied-Machine-Learning-Lab/G3) for reproduction.
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Multimodal contrastive learning (MCL) has recently demonstrated significant success across various tasks. However, the existing MCL treats all negative samples equally and ignores the potential semantic association with positive samples, which limits the model's ability to achieve fine-grained alignment. In multi-view scenarios, MCL tends to prioritize shared information while neglecting modality-specific unique information across different views, leading to feature suppression and suboptimal performance in downstream tasks. To address these limitations, we propose a novel contrastive framework name *QUEST: Quadruple Multimodal Contrastive Learning with Constraints and Self-Penalization*. In the QUEST framework, we propose quaternion contrastive objectives and orthogonal constraints to extract sufficient unique information. Meanwhile, a shared information-guided penalization is introduced to ensure that shared information does not excessively influence the optimization of unique information. Our method leverages quaternion vector spaces to simultaneously optimize shared and unique information. Experiments on multiple datasets show that our method achieves superior performance in multimodal contrastive learning benchmarks. On public benchmark, our approach achieves state-of-the-art performance, and on synthetic shortcut datasets, we outperform existing baseline methods by an average of 97.95\% on the CLIP model.
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Federated learning (FL) is a promising machine learning paradigm that collaborates with client models to capture global knowledge. However, deploying FL models in real-world scenarios remains unreliable due to the coexistence of in-distribution data and unexpected out-of-distribution (OOD) data, such as covariate-shift and semantic-shift data. Current FL researches typically address either covariate-shift data through OOD generalization or semantic-shift data via OOD detection, overlooking the simultaneous occurrence of various OOD shifts. In this work, we propose FOOGD, a method that estimates the probability density of each client and obtains reliable global distribution as guidance for the subsequent FL process. Firstly, SM3D in FOOGD estimates score model for arbitrary distributions without prior constraints, and detects semantic-shift data powerfully. Then SAG in FOOGD provides invariant yet diverse knowledge for both local covariate-shift generalization and client performance generalization. In empirical validations, FOOGD significantly enjoys three main advantages: (1) reliably estimating non-normalized decentralized distributions, (2) detecting semantic shift data via score values, and (3) generalizing to covariate-shift data by regularizing feature extractor. The project is open in https://github.com/XeniaLLL/FOOGD-main.git.
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A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to *classify* between data samples and samples from some reference distribution. DRE-based models can directly output the likelihood for any given input, a highly desired property that is lacking in most generative techniques. Nevertheless, to date, DRE methods have failed in accurately capturing the distributions of complex high-dimensional data, like images, and have thus been drawing reduced research attention in recent years. In this work we present *classification diffusion models* (CDMs), a DRE-based generative method that adopts the formalism of denoising diffusion models (DDMs) while making use of a classifier that predicts the level of noise added to a clean signal. Our method is based on an analytical connection that we derive between the MSE-optimal denoiser for removing white Gaussian noise and the cross-entropy-optimal classifier for predicting the noise level. Our method is the first DRE-based technique that can successfully generate images beyond the MNIST dataset. Furthermore, it can output the likelihood of any input in a single forward pass, achieving state-of-the-art negative log likelihood (NLL) among methods with this property.
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Inverse rendering methods have achieved remarkable performance in reconstructing high-fidelity 3D objects with disentangled geometries, materials, and environmental light. However, they still face huge challenges in reflective surface reconstruction. Although recent methods model the light trace to learn specularity, the ignorance of indirect illumination makes it hard to handle inter-reflections among multiple smooth objects. In this work, we propose Ref-MC2 that introduces the multi-time Monte Carlo sampling which comprehensively computes the environmental illumination and meanwhile considers the reflective light from object surfaces. To address the computation challenge as the times of Monte Carlo sampling grow, we propose a specularity-adaptive sampling strategy, significantly reducing the computational complexity. Besides the computational resource, higher geometry accuracy is also required because geometric errors accumulate multiple times. Therefore, we further introduce a reflection-aware surface model to initialize the geometry and refine it during inverse rendering. We construct a challenging dataset containing scenes with multiple objects and inter-reflections. Experiments show that our method outperforms other inverse rendering methods on various object groups. We also show downstream applications, e.g., relighting and material editing, to illustrate the disentanglement ability of our method.
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Gradient descent and its variants are de facto standard algorithms for training machine learning models. As gradient descent is sensitive to its hyperparameters, we need to tune the hyperparameters carefully using a grid search. However, the method is time-consuming, particularly when multiple hyperparameters exist. Therefore, recent studies have analyzed parameter-free methods that adjust the hyperparameters on the fly. However, the existing work is limited to investigations of parameter-free methods for the stepsize, and parameter-free methods for other hyperparameters have not been explored. For instance, although the gradient clipping threshold is a crucial hyperparameter in addition to the stepsize for preventing gradient explosion issues, none of the existing studies have investigated parameter-free methods for clipped gradient descent. Therefore, in this study, we investigate the parameter-free methods for clipped gradient descent. Specifically, we propose Inexact Polyak Stepsize, which converges to the optimal solution without any hyperparameters tuning, and its convergence rate is asymptotically independent of $L$ under $L$-smooth and $(L_0, L_1)$-smooth assumptions of the loss function, similar to that of clipped gradient descent with well-tuned hyperparameters. We numerically validated our convergence results using a synthetic function and demonstrated the effectiveness of our proposed methods using LSTM, Nano-GPT, and T5.
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Recently, implicit neural representations (INR) have made significant strides in various vision-related domains, providing a novel solution for Multispectral and Hyperspectral Image Fusion (MHIF) tasks. However, INR is prone to losing high-frequency information and is confined to the lack of global perceptual capabilities. To address these issues, this paper introduces a Fourier-enhanced Implicit Neural Fusion Network (FeINFN) specifically designed for MHIF task, targeting the following phenomena: The Fourier amplitudes of the HR-HSI latent code and LR-HSI are remarkably similar; however, their phases exhibit different patterns. In FeINFN, we innovatively propose a spatial and frequency implicit fusion function (Spa-Fre IFF), helping INR capture high-frequency information and expanding the receptive field. Besides, a new decoder employing a complex Gabor wavelet activation function, called Spatial-Frequency Interactive Decoder (SFID), is invented to enhance the interaction of INR features. Especially, we further theoretically prove that the Gabor wavelet activation possesses a time-frequency tightness property that favors learning the optimal bandwidths in the decoder. Experiments on two benchmark MHIF datasets verify the state-of-the-art (SOTA) performance of the proposed method, both visually and quantitatively. Also, ablation studies demonstrate the mentioned contributions. The code can be available at https://github.com/294coder/Efficient-MIF.
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Most of the existing Video Anomaly Detection (VAD) studies have been conducted within single-domain learning, where training and evaluation are performed on a single dataset. However, the criteria for abnormal events differ across VAD datasets, making it problematic to apply a single-domain model to other domains. In this paper, we propose a new task called Multi-Domain learning forVAD (MDVAD) to explore various real-world abnormal events using multiple datasets for a general model. MDVAD involves training on datasets from multiple domains simultaneously, and we experimentally observe that Abnormal Conflicts between domains hinder learning and generalization. The task aims to address two key objectives: (i) better distinguishing between general normal and abnormal events across multiple domains, and (ii) being aware of ambiguous abnormal conflicts. This paper is the first to tackle abnormal conflict issue and introduces a new benchmark, baselines, and evaluation protocols for MDVAD. As baselines, we propose a framework with Null(Angular)-Multiple Instance Learning and an Abnormal Conflict classifier. Through experiments on a MDVAD benchmark composed of six VAD datasets and using four different evaluation protocols, we reveal abnormal conflicts and demonstrate that the proposed baseline effectively handles these conflicts, showing robustness and adaptability across multiple domains.
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Text-to-image diffusion models benefit artists with high-quality image generation. Yet their stochastic nature hinders artists from creating consistent images of the same subject. Existing methods try to tackle this challenge and generate consistent content in various ways. However, they either depend on external restricted data or require expensive tuning of the diffusion model. For this issue, we propose a novel one-shot tuning paradigm, termed OneActor. It efficiently performs consistent subject generation solely driven by prompts via a learned semantic guidance to bypass the laborious backbone tuning. We lead the way to formalize the objective of consistent subject generation from a clustering perspective, and thus design a cluster-conditioned model. To mitigate the overfitting challenge shared by one-shot tuning pipelines, we augment the tuning with auxiliary samples and devise two inference strategies: semantic interpolation and cluster guidance. These techniques are later verified to significantly improve the generation quality. Comprehensive experiments show that our method outperforms a variety of baselines with satisfactory subject consistency, superior prompt conformity as well as high image quality. Our method is capable of multi-subject generation and compatible with popular diffusion extensions. Besides, we achieve a $4\times$ faster tuning speed than tuning-based baselines and, if desired, avoid increasing the inference time. Furthermore, our method can be naturally utilized to pre-train a consistent subject generation network from scratch, which will implement this research task into more practical applications. (Project page: https://johnneywang.github.io/OneActor-webpage/)
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Garment animation is ubiquitous in various applications, such as virtual reality, gaming, and film producing. Recently, learning-based approaches obtain compelling performance in animating diverse garments under versatile scenarios. Nevertheless, to mimic the deformations of the observed garments, data-driven methods require large scale of garment data, which are both resource-wise expensive and time-consuming. In addition, forcing models to match the dynamics of observed garment animation may hinder the potentials to generalize to unseen cases. In this paper, instead of using garment-wise supervised-learning we adopt a disentangled scheme to learn how to animate observed garments: 1). learning constitutive behaviors from the observed cloth; 2). dynamically animate various garments constrained by the learned constitutive laws. Specifically, we propose Energy Unit network (EUNet) to model the constitutive relations in the format of energy. Without the priors from analytical physics models and differentiable simulation engines, EUNet is able to directly capture the constitutive behaviors from the observed piece of cloth and uniformly describes the change of energy caused by deformations, such as stretching and bending. We further apply the pre-trained EUNet to animate various garments based on energy optimizations. The disentangled scheme alleviates the need of garment data and enables us to utilize the dynamics of a piece of cloth for animating garments. Experiments show that while EUNet effectively delivers the energy gradients due to the deformations, models constrained by EUNet achieve more stable and physically plausible performance comparing with those trained in garment-wise supervised manner.
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Large language models (LLMs) often exhibit undesirable behaviours, such as generating untruthful or biased content. Editing their internal representations has been shown to be effective in mitigating such behaviours on top of the existing alignment methods. We propose a novel inference-time editing method, namely spectral editing of activations (SEA), to project the input representations into directions with maximal covariance with the positive demonstrations (e.g., truthful) while minimising covariance with the negative demonstrations (e.g., hallucinated). We also extend our method to non-linear editing using feature functions. We run extensive experiments on benchmarks concerning truthfulness and bias with six open-source LLMs of different sizes and model families. The results demonstrate the superiority of SEA in effectiveness, generalisation to similar tasks, as well as computation and data efficiency. We also show that SEA editing only has a limited negative impact on other model capabilities.
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This paper introduces a novel approach that leverages Large Language Models (LLMs) and Generative Agents to enhance time series forecasting by reasoning across both text and time series data. With language as a medium, our method adaptively integrates social events into forecasting models, aligning news content with time series fluctuations to provide richer insights. Specifically, we utilize LLM-based agents to iteratively filter out irrelevant news and employ human-like reasoning to evaluate predictions. This enables the model to analyze complex events, such as unexpected incidents and shifts in social behavior, and continuously refine the selection logic of news and the robustness of the agent's output. By integrating selected news events with time series data, we fine-tune a pre-trained LLM to predict sequences of digits in time series. The results demonstrate significant improvements in forecasting accuracy, suggesting a potential paradigm shift in time series forecasting through the effective utilization of unstructured news data.
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Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are guaranteed to cover the (unknown) true test output with a user-specified probability. Nevertheless, this guarantee is violated when the data is subjected to adversarial attacks, which often result in a significant loss of coverage. Recently, several approaches have been put forward to recover CP guarantees in this setting. These approaches leverage variations of randomised smoothing to produce conservative sets which account for the effect of the adversarial perturbations. They are, however, limited in that they only support $\ell_2$-bounded perturbations and classification tasks. This paper introduces VRCP (Verifiably Robust Conformal Prediction), a new framework that leverages recent neural network verification methods to recover coverage guarantees under adversarial attacks. Our VRCP method is the first to support perturbations bounded by arbitrary norms including $\ell_1$, $\ell_2$, and $\ell_\infty$, as well as regression tasks. We evaluate and compare our approach on image classification tasks (CIFAR10, CIFAR100, and TinyImageNet) and regression tasks for deep reinforcement learning environments. In every case, VRCP achieves above nominal coverage and yields significantly more efficient and informative prediction regions than the SotA.
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This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on intra-block variance and inter-block correlation matrices, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model. Experiments validate the advantages of DivSBL over existing algorithms.
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Recent advancements in zero-shot text-to-speech (TTS) modeling have led to significant strides in generating high-fidelity and diverse speech. However, dialogue generation, along with achieving human-like naturalness in speech, continues to be a challenge. In this paper, we introduce CoVoMix: Conversational Voice Mixture Generation, a novel model for zero-shot, human-like, multi-speaker, multi-round dialogue speech generation. CoVoMix first converts dialogue text into multiple streams of discrete tokens, with each token stream representing semantic information for individual talkers. These token streams are then fed into a flow-matching based acoustic model to generate mixed mel-spectrograms. Finally, the speech waveforms are produced using a HiFi-GAN model. Furthermore, we devise a comprehensive set of metrics for measuring the effectiveness of dialogue modeling and generation. Our experimental results show that CoVoMix can generate dialogues that are not only human-like in their naturalness and coherence but also involve multiple talkers engaging in multiple rounds of conversation. This is exemplified by instances generated in a single channel where one speaker's utterance is seamlessly mixed with another's interjections or laughter, indicating the latter's role as an attentive listener. Audio samples are enclosed in the supplementary.
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Reward allocation, also known as the credit assignment problem, has been an important topic in economics, engineering, and machine learning. An important concept in reward allocation is the core, which is the set of stable allocations where no agent has the motivation to deviate from the grand coalition. In previous works, computing the core requires either knowledge of the reward function in deterministic games or the reward distribution in stochastic games. However, this is unrealistic, as the reward function or distribution is often only partially known and may be subject to uncertainty. In this paper, we consider the core learning problem in stochastic cooperative games, where the reward distribution is unknown. Our goal is to learn the expected core, that is, the set of allocations that are stable in expectation, given an oracle that returns a stochastic reward for an enquired coalition each round. Within the class of strictly convex games, we present an algorithm named \texttt{Common-Points-Picking} that returns a point in the expected core given a polynomial number of samples, with high probability. To analyse the algorithm, we develop a new extension of the separation hyperplane theorem for multiple convex sets.t.
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Partner diversity is known to be crucial for training a robust generalist cooperative agent. In this paper, we show that partner specialization, in addition to diversity, is crucial for the robustness of a downstream generalist agent. We propose a principled method for quantifying both the diversity and specialization of a partner population based on the concept of mutual information. Then, we observe that the recently proposed cross-play minimization (XP-min) technique produces diverse and specialized partners. However, the generated partners are overfit, reducing their usefulness as training partners. To address this, we propose simple methods, based on reinforcement learning and supervised learning, for extracting the diverse and specialized behaviors of XP-min generated partners but not their overfitness. We demonstrate empirically that the proposed method effectively removes overfitness, and extracted populations produce more robust generalist agents compared to the source XP-min populations.
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Sequential decision-making can be formulated as a conditional generation process, with targets for alignment with human intents and versatility across various tasks. Previous return-conditioned diffusion models manifest comparable performance but rely on well-defined reward functions, which requires amounts of human efforts and faces challenges in multi-task settings. Preferences serve as an alternative but recent work rarely considers preference learning given multiple tasks. To facilitate the alignment and versatility in multi-task preference learning, we adopt multi-task preferences as a unified framework. In this work, we propose to learn preference representations aligned with preference labels, which are then used as conditions to guide the conditional generation process of diffusion models. The traditional classifier-free guidance paradigm suffers from the inconsistency between the conditions and generated trajectories. We thus introduce an auxiliary regularization objective to maximize the mutual info
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We study multiclass PAC learning with bandit feedback, where inputs are classified into one of $K$ possible labels and feedback is limited to whether or not the predicted labels are correct. Our main contribution is in designing a novel learning algorithm for the agnostic $(\varepsilon,\delta)$-PAC version of the problem, with sample complexity of $O\big( (\operatorname{poly}(K) + 1 / \varepsilon^2) \log (|\mathcal{H}| / \delta) \big)$ for any finite hypothesis class $\mathcal{H}$. In terms of the leading dependence on $\varepsilon$, this improves upon existing bounds for the problem, that are of the form $O(K/\varepsilon^2)$. We also provide an extension of this result to general classes and establish similar sample complexity bounds in which $\log |\mathcal{H}|$ is replaced by the Natarajan dimension. This matches the optimal rate in the full-information version of the problem and resolves an open question studied by Daniely, Sabato, Ben-David, and Shalev-Shwartz (2011) who demonstrated that the multiplicative price of bandit feedback in realizable PAC learning is $\Theta(K)$. We complement this by revealing a stark contrast with the agnostic case, where the price of bandit feedback is only $O(1)$ as $\varepsilon \to 0$. Our algorithm utilizes a stochastic optimization technique to minimize a log-barrier potential based on Frank-Wolfe updates for computing a low-variance exploration distribution over the hypotheses, and is made computationally efficient provided access to an ERM oracle over $\mathcal{H}$.
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Modern diffusion-based image generative models have made significant progress and become promising to enrich training data for the object detection task. However, the generation quality and the controllability for complex scenes containing multi-class objects and dense objects with occlusions remain limited. This paper presents ODGEN, a novel method to generate high-quality images conditioned on bounding boxes, thereby facilitating data synthesis for object detection. Given a domain-specific object detection dataset, we first fine-tune a pre-trained diffusion model on both cropped foreground objects and entire images to fit target distributions. Then we propose to control the diffusion model using synthesized visual prompts with spatial constraints and object-wise textual descriptions. ODGEN exhibits robustness in handling complex scenes and specific domains. Further, we design a dataset synthesis pipeline to evaluate ODGEN on 7 domain-specific benchmarks to demonstrate its effectiveness. Adding training data generated by ODGEN improves up to 25.3% mAP@.50:.95 with object detectors like YOLOv5 and YOLOv7, outperforming prior controllable generative methods. In addition, we design an evaluation protocol based on COCO-2014 to validate ODGEN in general domains and observe an advantage up to 5.6% in mAP@.50:.95 against existing methods.
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Physics-informed neural networks (PINNs) have emerged as a prominent approach for solving partial differential equations (PDEs) by minimizing a combined loss function that incorporates both boundary loss and PDE residual loss. Despite their remarkable empirical performance in various scientific computing tasks, PINNs often fail to generate reasonable solutions, and such pathological behaviors remain difficult to explain and resolve. In this paper, we identify that PINNs can be adversely trained when gradients of each loss function exhibit a significant imbalance in their magnitudes and present a negative inner product value. To address these issues, we propose a novel optimization framework, *Dual Cone Gradient Descent* (DCGD), which adjusts the direction of the updated gradient to ensure it falls within a dual cone region. This region is defined as a set of vectors where the inner products with both the gradients of the PDE residual loss and the boundary loss are non-negative. Theoretically, we analyze the convergence properties of DCGD algorithms in a non-convex setting. On a variety of benchmark equations, we demonstrate that DCGD outperforms other optimization algorithms in terms of various evaluation metrics. In particular, DCGD achieves superior predictive accuracy and enhances the stability of training for failure modes of PINNs and complex PDEs, compared to existing optimally tuned models. Moreover, DCGD can be further improved by combining it with popular strategies for PINNs, including learning rate annealing and the Neural Tangent Kernel (NTK).
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When an agent is in a multi-agent environment, it may face previously unseen opponents, and it is a challenge to cooperate with other agents to accomplish the task together or to maximize its own rewards. Most opponent modeling methods deal with the non-stationarity caused by unknown opponent policies via predicting the opponent’s actions. However, focusing on the opponent’s action is shortsighted, which also constrains the adaptability to unknown opponents in complex tasks. In this paper, we propose opponent modeling based on subgoal inference, which infers the opponent’s subgoals through historical trajectories. As subgoals are likely to be shared by different opponent policies, predicting subgoals can yield better generalization to unknown opponents. Additionally, we design two subgoal selection modes for cooperative games and general-sum games respectively. Empirically, we show that our method achieves more effective adaptation than existing methods in a variety of tasks.
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Large language models (LLMs) have shown remarkable progress in code generation, but their generated code often suffers from inefficiency, resulting in longer execution times and higher memory consumption. To address this issue, we propose EffiLearner, a self-optimization framework that utilizes execution overhead profiles to improve the efficiency of LLM-generated code. EffiLearner first generates code using an LLM, then executes it locally to capture execution time and memory usage profiles. These profiles are fed back to the LLM, which then revises the code to reduce overhead. To evaluate the effectiveness of EffiLearner, we conduct extensive experiments on EffiBench and two commonly used code generation benchmarks with 16 open-source and 6 closed-source models. Our evaluation results demonstrate that through iterative self-optimization, EffiLearner significantly enhances the efficiency of LLM-generated code. For example, the execution time (ET) of StarCoder2-15B for the EffiBench decreases from 0.93 (s) to 0.12 (s) which reduces 87.1\% execution time requirement compared with the initial code. The total memory usage (TMU) of StarCoder2-15B also decreases from 22.02 (Mb*s) to 2.03 (Mb*s), which decreases 90.8\% total memory consumption during the execution process.
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Vision Transformers (ViTs) are widely used in a variety of applications, while they usually have a fixed architecture that may not match the varying computational resources of different deployment environments. Thus, it is necessary to adapt ViT architectures to devices with diverse computational overheads to achieve an accuracy-efficient trade-off. This concept is consistent with the motivation behind Learngene. To achieve this, inspired by polynomial decomposition in calculus, where a function can be approximated by linearly combining several basic components, we propose to linearly decompose the ViT model into a set of components called learngenes during element-wise training. These learngenes can then be recomposed into differently scaled, pre-initialized models to satisfy different computational resource constraints. Such a decomposition-recomposition strategy provides an economical and flexible approach to generating different scales of ViT models for different deployment scenarios. Compared to model compression or training from scratch, which require to repeatedly train on large datasets for diverse-scale models, such strategy reduces computational costs since it only requires to train on large datasets once. Extensive experiments are used to validate the effectiveness of our method: ViTs can be decomposed and the decomposed learngenes can be recomposed into diverse-scale ViTs, which can achieve comparable or better performance compared to traditional model compression and pre-training methods. The code for our experiments is available in the supplemental material.
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The two-stage fine-tuning (FT) method, linear probing (LP) then fine-tuning (LP-FT), outperforms linear probing and FT alone. This holds true for both in-distribution (ID) and out-of-distribution (OOD) data. One key reason for its success is the preservation of pre-trained features, achieved by obtaining a near-optimal linear head during LP. However, despite the widespread use of large language models, there has been limited exploration of more complex architectures such as Transformers. In this paper, we analyze the training dynamics of LP-FT for classification tasks on the basis of the neural tangent kernel (NTK) theory. Our analysis decomposes the NTK matrix into two components. This decomposition highlights the importance of the linear head norm alongside the prediction accuracy at the start of the FT stage. We also observe a significant increase in the linear head norm during LP, which stems from training with the cross-entropy (CE) loss. This increase in the linear head norm effectively reduces changes in learned features. Furthermore, we find that this increased norm can adversely affect model calibration, which can be corrected using temperature scaling. Additionally, we extend our analysis with the NTK to the low-rank adaptation (LoRA) method and validate its effectiveness. Our experiments using a Transformer-based model on multiple natural language processing datasets confirm our theoretical analysis. Our study demonstrates the effectiveness of LP-FT for fine-tuning language models. Code is available at https://github.com/tom4649/lp-ft_ntk.
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Memory models such as Recurrent Neural Networks (RNNs) and Transformers address Partially Observable Markov Decision Processes (POMDPs) by mapping trajectories to latent Markov states. Neither model scales particularly well to long sequences, especially compared to an emerging class of memory models called Linear Recurrent Models. We discover that the recurrent update of these models resembles a monoid, leading us to reformulate existing models using a novel monoid-based framework that we call memoroids. We revisit the traditional approach to batching in recurrent reinforcement learning, highlighting theoretical and empirical deficiencies. We leverage memoroids to propose a batching method that improves sample efficiency, increases the return, and simplifies the implementation of recurrent loss functions in reinforcement learning.
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Recently, vision model pre-training has evolved from relying on manually annotated datasets to leveraging large-scale, web-crawled image-text data. Despite these advances, there is no pre-training method that effectively exploits the interleaved image-text data, which is very prevalent on the Internet. Inspired by the recent success of compression learning in natural language processing, we propose a novel vision model pre-training method called Latent Compression Learning (LCL) for interleaved image-text data. This method performs latent compression learning by maximizing the mutual information between the inputs and outputs of a causal attention model. The training objective can be decomposed into two basic tasks: 1) contrastive learning between visual representation and preceding context, and 2) generating subsequent text based on visual representation. Our experiments demonstrate that our method not only matches the performance of CLIP on paired pre-training datasets (e.g., LAION), but can also leverage interleaved pre-training data (e.g., MMC4) to learn robust visual representations from scratch, showcasing the potential of vision model pre-training with interleaved image-text data.
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AdaBoost is a well-known algorithm in boosting. Schapire and Singer propose, an extension of AdaBoost, named AdaBoost.MH, for multi-class classification problems. Kégl shows empirically that AdaBoost.MH works better when the classical one-against-all base classifiers are replaced by factorized base classifiers containing a binary classifier and a vote (or code) vector. However, the factorization makes it much more difficult to provide a convergence result for the factorized version of AdaBoost.MH. Then, Kégl raises an open problem in COLT 2014 to look for a convergence result for the factorized AdaBoost.MH. In this work, we resolve this open problem by presenting a convergence result for AdaBoost.MH with factorized multi-class classifiers.
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Recent advancements in large language models (LLMs) focus on aligning to heterogeneous human expectations and values via multi-objective preference alignment. However, existing methods are dependent on the policy model parameters, which require high-cost repetition of their alignment algorithms for each new policy model, and they cannot expand to unseen objectives due to their static alignment objectives. In this work, we propose Meta-Objective Aligner (MetaAligner), the first policy-agnostic and generalizable method for multi-objective preference alignment. MetaAligner models multi-objective alignment into three stages: (1) dynamic objectives reformulation algorithm reorganizes traditional alignment datasets to supervise the model on performing flexible alignment across different objectives; (2) conditional weak-to-strong correction paradigm aligns the weak outputs of fixed policy models to approach strong outputs with higher preferences in the corresponding alignment objectives, enabling plug-and-play inferences on any policy models, which significantly reduces training costs and facilitates alignment on close-source policy models; (3) generalizable inference method flexibly adjusts target objectives by updating their text descriptions in the prompts, facilitating generalizable alignment to unseen objectives. Experimental results show that MetaAligner achieves significant and balanced improvements in multi-objective alignments on 10 state-of-the-art policy models, and saves up to 93.63% of GPU training hours compared to previous alignment methods. The model also effectively aligns unseen objectives, marking the first step towards generalizable multi-objective preference alignment.
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We present a novel approach for test-time adaptation via online self-training, consisting of two components. First, we introduce a statistical framework that detects distribution shifts in the classifier's entropy values obtained on a stream of unlabeled samples. Second, we devise an online adaptation mechanism that utilizes the evidence of distribution shifts captured by the detection tool to dynamically update the classifier's parameters. The resulting adaptation process drives the distribution of test entropy values obtained from the self-trained classifier to match those of the source domain, building invariance to distribution shifts. This approach departs from the conventional self-training method, which focuses on minimizing the classifier's entropy. Our approach combines concepts in betting martingales and online learning to form a detection tool capable of quickly reacting to distribution shifts. We then reveal a tight relation between our adaptation scheme and optimal transport, which forms the basis of our novel self-supervised loss. Experimental results demonstrate that our approach improves test-time accuracy under distribution shifts while maintaining accuracy and calibration in their absence, outperforming leading entropy minimization methods across various scenarios.
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While 3D object bounding box (bbox) representation has been widely used in autonomous driving perception, it lacks the ability to capture the precise details of an object's intrinsic geometry. Recently, occupancy has emerged as a promising alternative for 3D scene perception. However, constructing a high-resolution occupancy map remains infeasible for large scenes due to computational constraints. Recognizing that foreground objects only occupy a small portion of the scene, we introduce object-centric occupancy as a supplement to object bboxes. This representation not only provides intricate details for detected objects but also enables higher voxel resolution in practical applications. We advance the development of object-centric occupancy perception from both data and algorithm perspectives. On the data side, we construct the first object-centric occupancy dataset from scratch using an automated pipeline. From the algorithmic standpoint, we introduce a novel object-centric occupancy completion network equipped with an implicit shape decoder that manages dynamic-size occupancy generation. This network accurately predicts the complete object-centric occupancy volume for inaccurate object proposals by leveraging temporal information from long sequences. Our method demonstrates robust performance in completing object shapes under noisy detection and tracking conditions. Additionally, we show that our occupancy features significantly enhance the detection results of state-of-the-art 3D object detectors, especially for incomplete or distant objects in the Waymo Open Dataset.
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Image generation has shown remarkable results in generating high-fidelity realistic images, in particular with the advancement of diffusion-based models. However, the prevalence of AI-generated images may have side effects for the machine learning community that are not clearly identified. Meanwhile, the success of deep learning in computer vision is driven by the massive dataset collected on the Internet. The extensive quantity of synthetic data being added to the Internet would become an obstacle for future researchers to collect "clean" datasets without AI-generated content. Prior research has shown that using datasets contaminated by synthetic images may result in performance degradation when used for training. In this paper, we investigate the potential impact of contaminated datasets on Online Continual Learning (CL) research. We experimentally show that contaminated datasets might hinder the training of existing online CL methods. Also, we propose Entropy Selection with Real-synthetic similarity Maximization (ESRM), a method to alleviate the performance deterioration caused by synthetic images when training online CL models. Experiments show that our method can significantly alleviate performance deterioration, especially when the contamination is severe. For reproducibility, the source code of our work is available at https://github.com/maorong-wang/ESRM.
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In the realm of image quantization exemplified by VQGAN, the process encodes images into discrete tokens drawn from a codebook with a predefined size. Recent advancements, particularly with LLAMA 3, reveal that enlarging the codebook significantly enhances model performance. However, VQGAN and its derivatives, such as VQGAN-FC (Factorized Codes) and VQGAN-EMA, continue to grapple with challenges related to expanding the codebook size and enhancing codebook utilization. For instance, VQGAN-FC is restricted to learning a codebook with a maximum size of 16,384, maintaining a typically low utilization rate of less than 12% on ImageNet. In this work, we propose a novel image quantization model named VQGAN-LC (Large Codebook), which extends the codebook size to 100,000, achieving an utilization rate exceeding 99%. Unlike previous methods that optimize each codebook entry, our approach begins with a codebook initialized with 100,000 features extracted by a pre-trained vision encoder. Optimization then focuses on training a projector that aligns the entire codebook with the feature distributions of the encoder in VQGAN-LC. We demonstrate the superior performance of our model over its counterparts across a variety of tasks, including image reconstruction, image classification, auto-regressive image generation using GPT, and image creation with diffusion- and flow-based generative models.
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Recently, research on denoising diffusion models has expanded its application to the field of image restoration. Traditional diffusion-based image restoration methods utilize degraded images as conditional input to effectively guide the reverse generation process, without modifying the original denoising diffusion process. However, since the degraded images already include low-frequency information, starting from Gaussian white noise will result in increased sampling steps. We propose Resfusion, a general framework that incorporates the residual term into the diffusion forward process, starting the reverse process directly from the noisy degraded images. The form of our inference process is consistent with the DDPM. We introduced a weighted residual noise, named resnoise, as the prediction target and explicitly provide the quantitative relationship between the residual term and the noise term in resnoise. By leveraging a smooth equivalence transformation, Resfusion determine the optimal acceleration step and maintains the integrity of existing noise schedules, unifying the training and inference processes. The experimental results demonstrate that Resfusion exhibits competitive performance on ISTD dataset, LOL dataset and Raindrop dataset with only five sampling steps. Furthermore, Resfusion can be easily applied to image generation and emerges with strong versatility. Our code and model are available at https://github.com/nkicsl/Resfusion.
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Tabular data is widely utilized in a wide range of real-world applications. The challenge of few-shot learning with tabular data stands as a crucial problem in both industry and academia, due to the high cost or even impossibility of annotating additional samples. However, the inherent heterogeneity of tabular features, combined with the scarcity of labeled data, presents a significant challenge in tabular few-shot classification. In this paper, we propose a novel approach named Diffusion-based Representation with Random Distance matching (D2R2) for tabular few-shot learning. D2R2 leverages the powerful expression ability of diffusion models to extract essential semantic knowledge crucial for denoising process. This semantic knowledge proves beneficial in few-shot downstream tasks. During the training process of our designed diffusion model, we introduce a random distance matching to preserve distance information in the embeddings, thereby improving effectiveness for classification. During the classification stage, we introduce an instance-wise iterative prototype scheme to improve performance by accommodating the multimodality of embeddings and increasing clustering robustness. Our experiments reveal the significant efficacy of D2R2 across various tabular few-shot learning benchmarks, demonstrating its state-of-the-art performance in this field.
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Improving the reasoning capabilities of large language models (LLMs) has attracted considerable interest. Recent approaches primarily focus on improving the reasoning process to yield a more precise final answer. However, in scenarios involving contextually aware reasoning, these methods neglect the importance of first identifying logical relationships from the context before proceeding with the reasoning. This oversight could lead to a superficial understanding and interaction with the context, potentially undermining the quality and reliability of the reasoning outcomes. In this paper, we propose an information re-organization (\textbf{InfoRE}) method before proceeding with the reasoning to enhance the reasoning ability of LLMs. Our re-organization method involves initially extracting logical relationships from the contextual content, such as documents or paragraphs, and subsequently pruning redundant content to minimize noise. Then, we utilize the re-organized information in the reasoning process. This enables LLMs to deeply understand the contextual content by clearly perceiving these logical relationships, while also ensuring high-quality responses by eliminating potential noise. To demonstrate the effectiveness of our approach in improving the reasoning ability, we conduct experiments using Llama2-70B, GPT-3.5, and GPT-4 on various contextually aware multi-hop reasoning tasks. Using only a zero-shot setting, our method achieves an average absolute improvement of 4\% across all tasks, highlighting its potential to improve the reasoning performance of LLMs.
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In Large Language Model (LLM) inference, the output length of an LLM request is typically regarded as not known a priori. Consequently, most LLM serving systems employ a simple First-come-first-serve (FCFS) scheduling strategy, leading to Head-Of-Line (HOL) blocking and reduced throughput and service quality. In this paper, we reexamine this assumption -- we show that, although predicting the exact generation length of each request is infeasible, it is possible to predict the relative ranks of output lengths in a batch of requests, using learning to rank. The ranking information offers valuable guidance for scheduling requests. Building on this insight, we develop a novel scheduler for LLM inference and serving that can approximate the shortest-job-first (SJF) schedule better than existing approaches. We integrate this scheduler with the state-of-the-art LLM serving system and show significant performance improvement in several important applications: 2.8x lower latency in chatbot serving and 6.5x higher throughput in synthetic data generation. Our code is available at https://github.com/hao-ai-lab/vllm-ltr.git
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Federated Learning (FL) faces significant challenges due to data heterogeneity across distributed clients. To address this, we propose FedGMKD, a novel framework that combines knowledge distillation and differential aggregation for efficient prototype-based personalized FL without the need for public datasets or server-side generative models. FedGMKD introduces Cluster Knowledge Fusion, utilizing Gaussian Mixture Models to generate prototype features and soft predictions on the client side, enabling effective knowledge distillation while preserving data privacy. Additionally, we implement a Discrepancy-Aware Aggregation Technique that weights client contributions based on data quality and quantity, enhancing the global model's generalization across diverse client distributions. Theoretical analysis confirms the convergence of FedGMKD. Extensive experiments on benchmark datasets, including SVHN, CIFAR-10, and CIFAR-100, demonstrate that FedGMKD outperforms state-of-the-art methods, significantly improving both local and global accuracy in non-IID data settings.
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In real-world scenarios, networks (graphs) and their tasks possess unique characteristics, requiring the development of a versatile graph augmentation (GA) to meet the varied demands of network analysis. Unfortunately, most Graph Contrastive Learning (GCL) frameworks are hampered by the specificity, complexity, and incompleteness of their GA techniques. Firstly, GAs designed for specific scenarios may compromise the universality of models if mishandled. Secondly, the process of identifying and generating optimal augmentations generally involves substantial computational overhead. Thirdly, the effectiveness of the GCL, even the learnable ones, is constrained by the finite selection of GAs available. To overcome the above limitations, this paper introduces a novel unified GA module dubbed UGA after reinterpreting the mechanism of GAs in GCLs from a message-passing perspective. Theoretically, this module is capable of unifying any explicit GAs, including node, edge, attribute, and subgraph augmentations. Based on the proposed UGA, a novel generalized GCL framework dubbed Graph cOntrastive UnifieD Augmentations (GOUDA) is proposed. It seamlessly integrates widely adopted contrastive losses and an introduced independence loss to fulfill the common requirements of consistency and diversity of augmentation across diverse scenarios. Evaluations across various datasets and tasks demonstrate the generality and efficiency of the proposed GOUDA over existing state-of-the-art GCLs.
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Masked generative models (MGMs) have shown impressive generative ability while providing an order of magnitude efficient sampling steps compared to continuous diffusion models. However, MGMs still underperform in image synthesis compared to recent well-developed continuous diffusion models with similar size in terms of quality and diversity of generated samples. A key factor in the performance of continuous diffusion models stems from the guidance methods, which enhance the sample quality at the expense of diversity. In this paper, we extend these guidance methods to generalized guidance formulation for MGMs and propose a self-guidance sampling method, which leads to better generation quality. The proposed approach leverages an auxiliary task for semantic smoothing in vector-quantized token space, analogous to the Gaussian blur in continuous pixel space. Equipped with the parameter-efficient fine-tuning method and high-temperature sampling, MGMs with the proposed self-guidance achieve a superior quality-diversity trade-off, outperforming existing sampling methods in MGMs with more efficient training and sampling costs. Extensive experiments with the various sampling hyperparameters confirm the effectiveness of the proposed self-guidance.
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In _cross-domain few-shot classification_ (CFC), recent works mainly focus on adapting a simple transformation head on top of a frozen pre-trained backbone with few labeled data to project embeddings into a task-specific metric space where classification can be performed by measuring similarities between image instance and prototype representations. Technically, an _assumption_ implicitly adopted in such a framework is that the prototype and image instance embeddings share the same representation transformation. However, in this paper, we find that there naturally exists a gap, which resembles the modality gap, between the prototype and image instance embeddings extracted from the frozen pre-trained backbone, and simply applying the same transformation during the adaptation phase constrains exploring the optimal representation distributions and shrinks the gap between prototype and image representations. To solve this problem, we propose a simple yet effective method, _contrastive prototype-image adaptation_ (CoPA), to adapt different transformations for prototypes and images similarly to CLIP by treating prototypes as text prompts. Extensive experiments on Meta-Dataset demonstrate that CoPA achieves the _state-of-the-art_ performance more efficiently. Meanwhile, further analyses also indicate that CoPA can learn better representation clusters, enlarge the gap, and achieve the minimum validation loss at the enlarged gap.
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Diffusion models have achieved remarkable advancements in text-to-image generation. However, existing models still have many difficulties when faced with multiple-object compositional generation. In this paper, we propose ***RealCompo***, a new *training-free* and *transferred-friendly* text-to-image generation framework, which aims to leverage the respective advantages of text-to-image models and spatial-aware image diffusion models (e.g., layout, keypoints and segmentation maps) to enhance both realism and compositionality of the generated images. An intuitive and novel *balancer* is proposed to dynamically balance the strengths of the two models in denoising process, allowing plug-and-play use of any model without extra training. Extensive experiments show that our RealCompo consistently outperforms state-of-the-art text-to-image models and spatial-aware image diffusion models in multiple-object compositional generation while keeping satisfactory realism and compositionality of the generated images. Notably, our RealCompo can be seamlessly extended with a wide range of spatial-aware image diffusion models and stylized diffusion models. Code is available at: https://github.com/YangLing0818/RealCompo
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The stochastic compositional optimization (SCO) is popular in many real-world applications, including risk management, reinforcement learning, and meta-learning. However, most of the previous methods for SCO require the smoothness assumption on both the outer and inner functions, which limits their applications to a wider range of problems. In this paper, we study the SCO problem in that both the outer and inner functions are Lipschitz continuous but possibly nonconvex and nonsmooth. In particular, we propose gradient-free stochastic methods for finding the $(\delta, \epsilon)$-Goldstein stationary points of such problems with non-asymptotic convergence rates. Our results also lead to an improved convergence rate for the convex nonsmooth SCO problem. Furthermore, we conduct numerical experiments to demonstrate the effectiveness of the proposed methods.
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Deep neural networks (DNNs) are widely used models for investigating biological visual representations. However, existing DNNs are mostly designed to analyze neural responses to static images, relying on feedforward structures and lacking physiological neuronal mechanisms. There is limited insight into how the visual cortex represents natural movie stimuli that contain context-rich information. To address these problems, this work proposes the long-range feedback spiking network (LoRaFB-SNet), which mimics top-down connections between cortical regions and incorporates spike information processing mechanisms inherent to biological neurons. Taking into account the temporal dependence of representations under movie stimuli, we present Time-Series Representational Similarity Analysis (TSRSA) to measure the similarity between model representations and visual cortical representations of mice. LoRaFB-SNet exhibits the highest level of representational similarity, outperforming other well-known and leading alternatives across various experimental paradigms, especially when representing long movie stimuli. We further conduct experiments to quantify how temporal structures (dynamic information) and static textures (static information) of the movie stimuli influence representational similarity, suggesting that our model benefits from long-range feedback to encode context-dependent representations just like the brain. Altogether, LoRaFB-SNet is highly competent in capturing both dynamic and static representations of the mouse visual cortex and contributes to the understanding of movie processing mechanisms of the visual system. Our codes are available at https://github.com/Grasshlw/SNN-Neural-Similarity-Movie.
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Continual learning (CL) empowers pre-trained vision-language (VL) models to efficiently adapt to a sequence of downstream tasks. However, these models often encounter challenges in retaining previously acquired skills due to parameter shifts and limited access to historical data. In response, recent efforts focus on devising specific frameworks and various replay strategies, striving for a typical learning-forgetting trade-off. Surprisingly, both our empirical research and theoretical analysis demonstrate that the stability of the model in consecutive zero-shot predictions serves as a reliable indicator of its anti-forgetting capabilities for previously learned tasks. Motivated by these insights, we develop a novel replay-free CL method named ZAF (Zero-shot Antidote to Forgetting), which preserves acquired knowledge through a zero-shot stability regularization applied to wild data in a plug-and-play manner. To enhance efficiency in adapting to new tasks and seamlessly access historical models, we introduce a parameter-efficient EMA-LoRA neural architecture based on the Exponential Moving Average (EMA). ZAF utilizes new data for low-rank adaptation (LoRA), complemented by a zero-shot antidote on wild data, effectively decoupling learning from forgetting. Our extensive experiments demonstrate ZAF's superior performance and robustness in pre-trained models across various continual VL concept learning tasks, achieving leads of up to 3.70\%, 4.82\%, and 4.38\%, along with at least a 10x acceleration in training speed on three benchmarks, respectively. Additionally, our zero-shot antidote significantly reduces forgetting in existing models by at least 6.37\%. Our code is available at https://github.com/Zi-Jian-Gao/Stabilizing-Zero-Shot-Prediction-ZAF.
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In this work, we introduce Unique3D, a novel image-to-3D framework for efficiently generating high-quality 3D meshes from single-view images, featuring state-of-the-art generation fidelity and strong generalizability. Previous methods based on Score Distillation Sampling (SDS) can produce diversified 3D results by distilling 3D knowledge from large 2D diffusion models, but they usually suffer from long per-case optimization time with inconsistent issues. Recent works address the problem and generate better 3D results either by finetuning a multi-view diffusion model or training a fast feed-forward model. However, they still lack intricate textures and complex geometries due to inconsistency and limited generated resolution. To simultaneously achieve high fidelity, consistency, and efficiency in single image-to-3D, we propose a novel framework Unique3D that includes a multi-view diffusion model with a corresponding normal diffusion model to generate multi-view images with their normal maps, a multi-level upscale process to progressively improve the resolution of generated orthographic multi-views, as well as an instant and consistent mesh reconstruction algorithm called ISOMER, which fully integrates the color and geometric priors into mesh results. Extensive experiments demonstrate that our Unique3D significantly outperforms other image-to-3D baselines in terms of geometric and textural details.
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Class incremental learning (CIL) trains a network on sequential tasks with separated categories in each task but suffers from catastrophic forgetting, where models quickly lose previously learned knowledge when acquiring new tasks. The generalized CIL (GCIL) aims to address the CIL problem in a more real-world scenario, where incoming data have mixed data categories and unknown sample size distribution. Existing attempts for the GCIL either have poor performance or invade data privacy by saving exemplars. In this paper, we propose a new exemplar-free GCIL technique named generalized analytic continual learning (GACL). The GACL adopts analytic learning (a gradient-free training technique) and delivers an analytical (i.e., closed-form) solution to the GCIL scenario. This solution is derived via decomposing the incoming data into exposed and unexposed classes, thereby attaining a weight-invariant property, a rare yet valuable property supporting an equivalence between incremental learning and its joint training. Such an equivalence is crucial in GCIL settings as data distributions among different tasks no longer pose challenges to adopting our GACL. Theoretically, this equivalence property is validated through matrix analysis tools. Empirically, we conduct extensive experiments where, compared with existing GCIL methods, our GACL exhibits a consistently leading performance across various datasets and GCIL settings. Source code is available at https://github.com/CHEN-YIZHU/GACL.
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Modality differences have led to the development of heterogeneous architectures for vision and language models. While images typically require 2D non-causal modeling, texts utilize 1D causal modeling. This distinction poses significant challenges in constructing unified multi-modal models. This paper explores the feasibility of representing images using 1D causal modeling. We identify an "over-focus" issue in existing 1D causal vision models, where attention overly concentrates on a small proportion of visual tokens. The issue of "over-focus" hinders the model's ability to extract diverse visual features and to receive effective gradients for optimization. To address this, we propose De-focus Attention Networks, which employ learnable bandpass filters to create varied attention patterns. During training, large and scheduled drop path rates, and an auxiliary loss on globally pooled features for global understanding tasks are introduced. These two strategies encourage the model to attend to a broader range of tokens and enhance network optimization. Extensive experiments validate the efficacy of our approach, demonstrating that 1D causal visual representation can perform comparably to 2D non-causal representation in tasks such as global perception, dense prediction, and multi-modal understanding. Code shall be released.
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We present MV2Cyl, a novel method for reconstructing 3D from 2D multi-view images, not merely as a field or raw geometry but as a sketch-extrude CAD. Extracting extrusion cylinders from raw 3D geometry has been extensively researched in computer vision, while the processing of 3D data through neural networks has remained a bottleneck. Since 3D scans are generally accompanied by multi-view images, leveraging 2D convolutional neural networks allows these images to be exploited as a rich source for extracting extrusion cylinder information. However, we observe that extracting only the surface information of the extrudes and utilizing it results in suboptimal outcomes due to the challenges in the occlusion and surface segmentation. By synergizing with the extracted base curve information, we achieve the optimal reconstruction result with the best accuracy in 2D sketch and extrude parameter estimation. Our experiments, comparing our method with previous work that takes a raw 3D point cloud as input, demonstrate the effectiveness of our approach by taking advantage of multi-view images.
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Cross-domain retrieval (CDR) is finding increasingly broad applications across various domains. However, existing efforts have several major limitations, with the most critical being their reliance on accurate supervision. Recent studies thus focus on achieving unsupervised CDR, but they typically assume that the category spaces across domains are identical, an assumption that is often unrealistic in real-world scenarios. This is because only through dedicated and comprehensive analysis can the category composition of a data domain be obtained, which contradicts the premise of unsupervised scenarios. Therefore, in this work, we introduce the problem of **U**niversal **U**nsupervised **C**ross-**D**omain **R**etrieval (U^2CDR) for the first time and design a two-stage semantic feature learning framework to address it. In the first stage, a cross-domain unified prototypical structure is established under the guidance of an instance-prototype-mixed contrastive loss and a semantic-enhanced loss, to counteract category space differences. In the second stage, through a modified adversarial training mechanism, we ensure minimal changes for the established prototypical structure during domain alignment, enabling more accurate nearest-neighbor searching. Extensive experiments across multiple datasets and scenarios, including close-set, partial, and open-set CDR, demonstrate that our approach significantly outperforms existing state-of-the-art CDR methods and other related methods in solving U^2CDR challenges.
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Language model agents are increasingly being used to automate complicated tasks in digital environments. Just as humans benefit from powerful software applications, such as integrated development environments, for complex tasks like software engineering, we posit that language model agents represent a new category of end users with their own needs and abilities, and would benefit from specially built interfaces to the software they use. We investigate how the role of interface design affects the performance of language model agents. As a result of this exploration, we introduce SWE-agent: a system that facilitates language model agents to autonomously use computers to solve software engineering tasks. SWE-agent's custom agent-computer interface significantly enhances an agent's ability to create and edit code files, navigate entire repositories, and execute tests and other programs. We evaluate SWE-agent on SWE-bench and HumanEvalFix, achieving state-of-the-art performance on both with a pass@1 rate of 12.5% and 87.7%, respectively, far exceeding the previous state-of-the-art achieved with non-interactive language models. Finally, we provide insight on how the design of the agent-computer interface can impact agents' behavior and performance.
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This paper addresses the prevalent issue of label shift in an online setting with missing labels, where data distributions change over time and obtaining timely labels is challenging. While existing methods primarily focus on adjusting or updating the final layer of a pre-trained classifier, we explore the untapped potential of enhancing feature representations using unlabeled data at test-time. Our novel method, Online Label Shift adaptation with Online Feature Updates (OLS-OFU), leverages self-supervised learning to refine the feature extraction process, thereby improving the prediction model. By carefully designing the algorithm, theoretically OLS-OFU maintains the similar online regret convergence to the results in the literature while taking the improved features into account. Empirically, it achieves substantial improvements over existing methods, which is as significant as the gains existing methods have over the baseline (i.e., without distribution shift adaptations).
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Event cameras, offering high temporal resolution and high dynamic range, have brought a new perspective to addressing 3D reconstruction challenges in fast-motion and low-light scenarios. Most methods use the Neural Radiance Field (NeRF) for event-based photorealistic 3D reconstruction. However, these NeRF methods suffer from time-consuming training and inference, as well as limited scene-editing capabilities of implicit representations. To address these problems, we propose Event-3DGS, the first event-based reconstruction using 3D Gaussian splatting (3DGS) for synthesizing novel views freely from event streams. Technically, we first propose an event-based 3DGS framework that directly processes event data and reconstructs 3D scenes by simultaneously optimizing scenario and sensor parameters. Then, we present a high-pass filter-based photovoltage estimation module, which effectively reduces noise in event data to improve the robustness of our method in real-world scenarios. Finally, we design an event-based 3D reconstruction loss to optimize the parameters of our method for better reconstruction quality. The results show that our method outperforms state-of-the-art methods in terms of reconstruction quality on both simulated and real-world datasets. We also verify that our method can perform robust 3D reconstruction even in real-world scenarios with extreme noise, fast motion, and low-light conditions. Our code is available in https://github.com/lanpokn/Event-3DGS.
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Recent advancements in models linking natural language with human motions have shown significant promise in motion generation and editing based on instructional text. Motivated by applications in sports coaching and motor skill learning, we investigate the inverse problem: generating corrective instructional text, leveraging motion editing and generation models. We introduce a novel approach that, given a user’s current motion (source) and the desired motion (target), generates text instructions to guide the user towards achieving the target motion. We leverage large language models to generate corrective texts and utilize existing motion generation and editing frameworks to compile datasets of triplets (source motion, target motion, and corrective text). Using this data, we propose a new motion-language model for generating corrective instructions. We present both qualitative and quantitative results across a diverse range of applications that largely improve upon baselines. Our approach demonstrates its effectiveness in instructional scenarios, offering text-based guidance to correct and enhance user performance.
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A straightforward pipeline for zero-shot out-of-distribution (OOD) detection involves selecting potential OOD labels from an extensive semantic pool and then leveraging a pre-trained vision-language model to perform classification on both in-distribution (ID) and OOD labels. In this paper, we theorize that enhancing performance requires expanding the semantic pool, while increasing the expected probability of selected OOD labels being activated by OOD samples, and ensuring low mutual dependence among the activations of these OOD labels. A natural expansion manner is to adopt a larger lexicon; however, the inevitable introduction of numerous synonyms and uncommon words fails to meet the above requirements, indicating that viable expansion manners move beyond merely selecting words from a lexicon. Since OOD detection aims to correctly classify input images into ID/OOD class groups, we can "make up" OOD label candidates which are not standard class names but beneficial for the process. Observing that the original semantic pool is comprised of unmodified specific class names, we correspondingly construct a conjugated semantic pool (CSP) consisting of modified superclass names, each serving as a cluster center for samples sharing similar properties across different categories. Consistent with our established theory, expanding OOD label candidates with the CSP satisfies the requirements and outperforms existing works by 7.89% in FPR95. Codes are available in https://github.com/MengyuanChen21/NeurIPS2024-CSP.
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Video generation primarily aims to model authentic and customized motion across frames, making understanding and controlling the motion a crucial topic. Most diffusion-based studies on video motion focus on motion customization with training-based paradigms, which, however, demands substantial training resources and necessitates retraining for diverse models. Crucially, these approaches do not explore how video diffusion models encode cross-frame motion information in their features, lacking interpretability and transparency in their effectiveness. To answer this question, this paper introduces a novel perspective to understand, localize, and manipulate motion-aware features in video diffusion models. Through analysis using Principal Component Analysis (PCA), our work discloses that robust motion-aware feature already exists in video diffusion models. We present a new MOtion FeaTure (MOFT) by eliminating content correlation information and filtering motion channels. MOFT provides a distinct set of benefits, including the ability to encode comprehensive motion information with clear interpretability, extraction without the need for training, and generalizability across diverse architectures. Leveraging MOFT, we propose a novel training-free video motion control framework. Our method demonstrates competitive performance in generating natural and faithful motion, providing architecture-agnostic insights and applicability in a variety of downstream tasks.
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This work presents BAdam, an optimization method that leverages the block coordinate descent (BCD) framework with Adam's update rule. BAdam offers a memory efficient approach to the full parameter finetuning of large language models. We conduct a theoretical convergence analysis for BAdam in the deterministic case. Experimentally, we apply BAdam to finetune the Llama 3-8B and Llama 3-70B models using a single RTX3090-24GB GPU and 4 A100-80GB GPUs, respectively. The results confirm BAdam's efficiency in terms of memory usage, running time, and optimization capability. Furthermore, the downstream performance evaluation based on MT-bench and math benchmarks shows that BAdam outperforms existing memory efficient baselines such as LoRA. It also demonstrates that BAdam can achieve comparable or even superior performance compared to Adam. Finally, the ablation study using SGD's update rule illustrates the suitability of BCD for finetuning LLMs. Our code can be easily integrated into any PyTorch-based codebase and is available at https://github.com/Ledzy/BAdam.
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Evidential Deep Learning (EDL), grounded in Evidence Theory and Subjective Logic (SL), provides a robust framework to estimate uncertainty for out-of-distribution (OOD) detection alongside traditional classification probabilities.However, the EDL framework is constrained by its focus on evidence that supports only single categories, neglecting the other collective evidences that could corroborate multiple in-distribution categories. This limitation leads to a diminished estimation of uncertainty and a subsequent decline in OOD detection performance.Additionally, EDL encounters the vanishing gradient problem within its fully-connected layers, further degrading classification accuracy.To address these issues, we introduce hyper-domain and propose Hyper-opinion Evidential Deep Learning (HEDL). HEDL extends the evidence modeling paradigm by explicitly integrating sharp evidence, which supports a singular category, with vague evidence that accommodates multiple potential categories.Additionally, we propose a novel opinion projection mechanism that translates hyper-opinion into multinomial-opinion, which is then optimized within the EDL framework to ensure precise classification and refined uncertainty estimation.HEDL integrates evidences across various categories to yield a holistic evidentiary foundation for achieving superior OOD detection. Furthermore, our proposed opinion projection method effectively mitigates the vanishing gradient issue, ensuring classification accuracy without additional model complexity. Extensive experiments over many datasets demonstrate our proposed method outperforms existing OOD detection methods.
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Consider the domain of multiclass classification within the adversarial online setting. What is the price of relying on bandit feedback as opposed to full information? To what extent can an adaptive adversary amplify the loss compared to an oblivious one? To what extent can a randomized learner reduce the loss compared to a deterministic one? We study these questions in the mistake bound model and provide nearly tight answers. We demonstrate that the optimal mistake bound under bandit feedback is at most $O(k)$ times higher than the optimal mistake bound in the full information case, where $k$ represents the number of labels. This bound is tight and provides an answer to an open question previously posed and studied by Daniely and Helbertal ['13] and by Long ['17, '20], who focused on deterministic learners. Moreover, we present nearly optimal bounds of $\tilde{\Theta}(k)$ on the gap between randomized and deterministic learners, as well as between adaptive and oblivious adversaries in the bandit feedback setting. This stands in contrast to the full information scenario, where adaptive and oblivious adversaries are equivalent, and the gap in mistake bounds between randomized and deterministic learners is a constant multiplicative factor of $2$. In addition, our results imply that in some cases the optimal randomized mistake bound is approximately the square-root of its deterministic parallel. Previous results show that this is essentially the smallest it can get. Some of our results are proved via a reduction to prediction with expert advice under bandit feedback, a problem interesting on its own right. For this problem, we provide a randomized algorithm which is nearly optimal in some scenarios.
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Constantly discovering novel concepts is crucial in evolving environments. This paper explores the underexplored task of Continual Generalized Category Discovery (C-GCD), which aims to incrementally discover new classes from *unlabeled* data while maintaining the ability to recognize previously learned classes. Although several settings are proposed to study the C-GCD task, they have limitations that do not reflect real-world scenarios. We thus study a more practical C-GCD setting, which includes more new classes to be discovered over a longer period, without storing samples of past classes. In C-GCD, the model is initially trained on labeled data of known classes, followed by multiple incremental stages where the model is fed with unlabeled data containing both old and new classes. The core challenge involves two conflicting objectives: discover new classes and prevent forgetting old ones. We delve into the conflicts and identify that models are susceptible to *prediction bias* and *hardness bias*. To address these issues, we introduce a debiased learning framework, namely **Happy**, characterized by **H**ardness-**a**ware **p**rototype sampling and soft entro**py** regularization. For the *prediction bias*, we first introduce clustering-guided initialization to provide robust features. In addition, we propose soft entropy regularization to assign appropriate probabilities to new classes, which can significantly enhance the clustering performance of new classes. For the *harness bias*, we present the hardness-aware prototype sampling, which can effectively reduce the forgetting issue for previously seen classes, especially for difficult classes. Experimental results demonstrate our method proficiently manages the conflicts of C-GCD and achieves remarkable performance across various datasets, e.g., 7.5% overall gains on ImageNet-100. Our code is publicly available at https://github.com/mashijie1028/Happy-CGCD.
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The Passive-Aggressive (PA) method is widely used in online regression problems for handling large-scale streaming data, typically updating model parameters in a passive-aggressive manner based on whether the error exceeds a predefined threshold. However, this approach struggles with determining optimal thresholds and adapting to complex scenarios with side information, where tracking accuracy is not the sole metric in the regression model. To address these challenges, we introduce a novel adaptive framework that allows finer adjustments to the weight vector in PA using side information. This framework adaptively selects the threshold parameter in PA, theoretically ensuring convergence to the optimal setting. Additionally, we present an efficient implementation of our algorithm that significantly reduces computational complexity. Numerical experiments show that our model achieves outstanding performance associated with the side information while maintaining low tracking error, demonstrating marked improvements over traditional PA methods across various scenarios.
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Tokenizer, serving as a translator to map the intricate visual data into a compact latent space, lies at the core of visual generative models. Based on the finding that existing tokenizers are tailored to either image or video inputs, this paper presents OmniTokenizer, a transformer-based tokenizer for joint image and video tokenization. OmniTokenizer is designed with a spatial-temporal decoupled architecture, which integrates window attention and causal attention for spatial and temporal modeling, respectively. To exploit the complementary nature of image and video data, we further propose a progressive training strategy, where OmniTokenizer is first trained on image data on a fixed resolution to develop the spatial encoding capacity and then jointly trained on image and video data on multiple resolutions to learn the temporal dynamics. OmniTokenizer, for the first time, handles both image and video inputs within a unified framework and proves the possibility of realizing their synergy. Extensive experiments demonstrate that OmniTokenizer achieves state-of-the-art (SOTA) reconstruction performance on various image and video datasets, e.g., 1.11 reconstruction FID on ImageNet and 42 reconstruction FVD on UCF-101, beating the previous SOTA methods by 13% and 26%, respectively. Additionally, we also show that when integrated with OmniTokenizer, both language model-based approaches and diffusion models can realize advanced visual synthesis performance, underscoring the superiority and versatility of our method.
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Scaling law that rewards large datasets, complex models and enhanced data granularity has been observed in various fields of deep learning. Yet, studies on time series forecasting have cast doubt on scaling behaviors of deep learning methods for time series forecasting: while more training data improves performance, more capable models do not always outperform less capable models, and longer input horizon may hurt performance for some models. We propose a theory for scaling law for time series forecasting that can explain these seemingly abnormal behaviors. We take into account the impact of dataset size and model complexity, as well as time series data granularity, particularly focusing on the look-back horizon, an aspect that has been unexplored in previous theories. Furthermore, we empirically evaluate various models using a diverse set of time series forecasting datasets, which (1) verifies the validity of scaling law on dataset size and model complexity within the realm of time series forecasting, and (2) validates our theoretical framework, particularly regarding the influence of look back horizon. We hope our findings may inspire new models targeting time series forecasting datasets of limited size, as well as large foundational datasets and models for time series forecasting in future works.
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Multi-label image recognition aims to predict all objects present in an input image. A common belief is that modeling the correlations between objects is beneficial for multi-label recognition. However, this belief has been recently challenged as label correlations may mislead the classifier in testing, due to the possible contextual bias in training. Accordingly, a few of recent works not only discarded label correlation modeling, but also advocated to remove contextual information for multi-label image recognition. This work explicitly explores label correlations for multi-label image recognition based on a principled causal intervention approach. With causal intervention, we pursue causal label correlations and suppress spurious label correlations, as the former tend to convey useful contextual cues while the later may mislead the classifier. Specifically, we decouple label-specific features with a Transformer decoder attached to the backbone network, and model the confounders which may give rise to spurious correlations by clustering spatial features of all training images. Based on label-specific features and confounders, we employ a cross-attention module to implement causal intervention, quantifying the causal correlations from all object categories to each predicted object category. Finally, we obtain image labels by combining the predictions from decoupled features and causal label correlations. Extensive experiments clearly validate the effectiveness of our approach for multi-label image recognition in both common and cross-dataset settings.
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A hallmark of intelligent agents is the ability to learn reusable skills purely from unsupervised interaction with the environment. However, existing unsupervised skill discovery methods often learn entangled skills where one skill variable simultaneously influences many entities in the environment, making downstream skill chaining extremely challenging. We propose Disentangled Unsupervised Skill Discovery (DUSDi), a method for learning disentangled skills that can be efficiently reused to solve downstream tasks. DUSDi decomposes skills into disentangled components, where each skill component only affects one factor of the state space. Importantly, these skill components can be concurrently composed to generate low-level actions, and efficiently chained to tackle downstream tasks through hierarchical Reinforcement Learning. DUSDi defines a novel mutual-information-based objective to enforce disentanglement between the influences of different skill components, and utilizes value factorization to optimize this objective efficiently. Evaluated in a set of challenging environments, DUSDi successfully learns disentangled skills, and significantly outperforms previous skill discovery methods when it comes to applying the learned skills to solve downstream tasks.
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Temporal action segmentation and long-term action anticipation are two popular vision tasks for the temporal analysis of actions in videos. Despite apparent relevance and potential complementarity, these two problems have been investigated as separate and distinct tasks. In this work, we tackle these two problems, action segmentation, and action anticipation, jointly using a unified diffusion model dubbed ActFusion. The key idea to unification is to train the model to effectively handle both visible and invisible parts of the sequence in an integrated manner; the visible part is for temporal segmentation, and the invisible part is for future anticipation. To this end, we introduce a new anticipative masking strategy during training in which a late part of the video frames is masked as invisible, and learnable tokens replace these frames to learn to predict the invisible future. Experimental results demonstrate the bi-directional benefits between action segmentation and anticipation. ActFusion achieves the state-of-the-art performance across the standard benchmarks of 50 Salads, Breakfast, and GTEA, outperforming task-specific models in both of the two tasks with a single unified model through joint learning.
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Large Vision-Language Models (LVLMs) have made substantial progress by integrating pre-trained large language models (LLMs) and vision models through instruction tuning. Despite these advancements, LVLMs often exhibit the hallucination phenomenon, where generated text responses appear linguistically plausible but contradict the input image, indicating a misalignment between image and text pairs. This misalignment arises because the model tends to prioritize textual information over visual input, even when both the language model and visual representations are of high quality. Existing methods leverage additional models or human annotations to curate preference data and enhance modality alignment through preference optimization. These approaches are resource-intensive and may not effectively reflect the target LVLM's preferences, making the curated preferences easily distinguishable. Our work addresses these challenges by proposing the Calibrated Self-Rewarding (CSR) approach, which enables the model to self-improve by iteratively generating candidate responses, evaluating the reward for each response, and curating preference data for fine-tuning. In the reward modeling, we employ a step-wise strategy and incorporate visual constraints into the self-rewarding process to place greater emphasis on visual input. Empirical results demonstrate that CSR significantly enhances performance and reduces hallucinations across twelve benchmarks and tasks, achieving substantial improvements over existing methods by 7.62\%. Our empirical results are further supported by rigorous theoretical analysis, under mild assumptions, verifying the effectiveness of introducing visual constraints into the self-rewarding paradigm. Additionally, CSR shows compatibility with different vision-language models and the ability to incrementally improve performance through iterative fine-tuning.
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Mamba is an effective state space model with linear computation complexity. It has recently shown impressive efficiency in dealing with high-resolution inputs across various vision tasks. In this paper, we reveal that the powerful Mamba model shares surprising similarities with linear attention Transformer, which typically underperform conventional Transformer in practice. By exploring the similarities and disparities between the effective Mamba and subpar linear attention Transformer, we provide comprehensive analyses to demystify the key factors behind Mamba’s success. Specifically, we reformulate the selective state space model and linear attention within a unified formulation, rephrasing Mamba as a variant of linear attention Transformer with six major distinctions: input gate, forget gate, shortcut, no attention normalization, single-head, and modified block design. For each design, we meticulously analyze its pros and cons, and empirically evaluate its impact on model performance in vision tasks. Interestingly, the results highlight the forget gate and block design as the core contributors to Mamba’s success, while the other four designs are less crucial. Based on these findings, we propose a Mamba- Inspired Linear Attention (MILA) model by incorporating the merits of these two key designs into linear attention. The resulting model outperforms various vision Mamba models in both image classification and high-resolution dense prediction tasks, while enjoying parallelizable computation and fast inference speed. Code is available at https://github.com/LeapLabTHU/MLLA.
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Continual learning requires to overcome catastrophic forgetting when training a single model on a sequence of tasks. Recent top-performing approaches are prompt-based methods that utilize a set of learnable parameters (i.e., prompts) to encode task knowledge, from which appropriate ones are selected to guide the fixed pre-trained model in generating features tailored to a certain task. However, existing methods rely on predicting prompt identities for prompt selection, where the identity prediction process cannot be optimized with task loss. This limitation leads to sub-optimal prompt selection and inadequate adaptation of pre-trained features for a specific task. Previous efforts have tried to address this by directly generating prompts from input queries instead of selecting from a set of candidates. However, these prompts are continuous, which lack sufficient abstraction for task knowledge representation, making them less effective for continual learning. To address these challenges, we propose VQ-Prompt, a prompt-based continual learning method that incorporates Vector Quantization (VQ) into end-to-end training of a set of discrete prompts. In this way, VQ-Prompt can optimize the prompt selection process with task loss and meanwhile achieve effective abstraction of task knowledge for continual learning. Extensive experiments show that VQ-Prompt outperforms state-of-the-art continual learning methods across a variety of benchmarks under the challenging class-incremental setting.
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Deep learning approaches have been widely adopted for precipitation nowcasting in recent years. Previous studies mainly focus on proposing new model architectures to improve pixel-wise metrics. However, they frequently result in blurry predictions which provide limited utility to forecasting operations. In this work, we propose a new Fourier Amplitude and Correlation Loss (FACL) which consists of two novel loss terms: Fourier Amplitude Loss (FAL) and Fourier Correlation Loss (FCL). FAL regularizes the Fourier amplitude of the model prediction and FCL complements the missing phase information. The two loss terms work together to replace the traditional L2 losses such as MSE and weighted MSE for the spatiotemporal prediction problem on signal-based data. Our method is generic, parameter-free and efficient. Extensive experiments using one synthetic dataset and three radar echo datasets demonstrate that our method improves perceptual metrics and meteorology skill scores, with a small trade-off to pixel-wise accuracy and structural similarity. Moreover, to improve the error margin in meteorological skill scores such as Critical Success Index (CSI) and Fractions Skill Score (FSS), we propose and adopt the Regional Histogram Divergence (RHD), a distance metric that considers the patch-wise similarity between signal-based imagery patterns with tolerance to local transforms.
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*Boundaries* are the timestamps at which a class in a time series changes. Recently, representation-based boundary detection has gained popularity, but its emphasis on consecutive distance difference backfires, especially when the changes are gradual. In this paper, we propose a boundary detection method, **RECURVE**, based on a novel change metric, the ***curvature*** of a representation trajectory, to accommodate both gradual and abrupt changes. Here, a sequence of representations in the representation space is interpreted as a trajectory, and a curvature at each timestamp can be computed. Using the theory of random walk, we formally show that the mean curvature is lower near boundaries than at other points. Extensive experiments using diverse real-world time-series datasets confirm the superiority of RECURVE over state-of-the-art methods.
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We present a differentiable representation, DMesh, for general 3D triangular meshes. DMesh considers both the geometry and connectivity information of a mesh. In our design, we first get a set of convex tetrahedra that compactly tessellates the domain based on Weighted Delaunay Triangulation (WDT), and select triangular faces on the tetrahedra to define the final mesh. We formulate probability of faces to exist on the actual surface in a differentiable manner based on the WDT. This enables DMesh to represent meshes of various topology in a differentiable way, and allows us to reconstruct the mesh under various observations, such as point clouds and multi-view images using gradient-based optimization. We publicize the source code and supplementary material at our project page (https://sonsang.github.io/dmesh-project).
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Although 3D point cloud recognition has achieved substantial progress on standard benchmarks, the typical models are vulnerable to point cloud corruptions, leading to security threats in real-world applications. To improve the corruption robustness, various data augmentation methods have been studied, but they are mainly limited to the spatial domain. As the point cloud has low information density and significant spatial redundancy, it is challenging to analyze the effects of corruptions. In this paper, we focus on the frequency domain to observe the underlying structure of point clouds and their corruptions. Through graph Fourier transform (GFT), we observe a correlation between the corruption robustness of point cloud recognition models and their sensitivity to different frequency bands, which is measured by the GFT spectrum of the model’s Jacobian matrix. To reduce the sensitivity and improve the corruption robustness, we propose Frequency Adversarial Training (FAT) that adopts frequency-domain adversarial examples as data augmentation to train robust point cloud recognition models against corruptions. Theoretically, we provide a guarantee of FAT on its out-of-distribution generalization performance. Empirically, we conduct extensive experiments with various network architectures to validate the effectiveness of FAT, which achieves the new state-of-the-art results.
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Trained models are often composed with post-hoc transforms such as temperature scaling (TS), ensembling and stochastic weight averaging (SWA) to improve performance, robustness, uncertainty estimation, etc. However, such transforms are typically applied only after the base models have already been finalized by standard means. In this paper, we challenge this practice with an extensive empirical study. In particular, we demonstrate a phenomenon that we call post-hoc reversal, where performance trends are reversed after applying post-hoc transforms. This phenomenon is especially prominent in high-noise settings. For example, while base models overfit badly early in training, both ensembling and SWA favor base models trained for more epochs. Post-hoc reversal can also prevent the appearance of double descent and mitigate mismatches between test loss and test error seen in base models. Preliminary analyses suggest that these transforms induce reversal by suppressing the influence of mislabeled examples, exploiting differences in their learning dynamics from those of clean examples. Based on our findings, we propose post-hoc selection, a simple technique whereby post-hoc metrics inform model development decisions such as early stopping, checkpointing, and broader hyperparameter choices. Our experiments span real-world vision, language, tabular and graph datasets. On an LLM instruction tuning dataset, post-hoc selection results in >1.5x MMLU improvement compared to naive selection.
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Message Passing Graph Neural Networks (MPGNNs) have emerged as the preferred method for modeling complex interactions across diverse graph entities. While the theory of such models is well understood, their aggregation module has not received sufficient attention. Sum-based aggregators have solid theoretical foundations regarding their separation capabilities. However, practitioners often prefer using more complex aggregations and mixtures of diverse aggregations. In this work, we unveil a possible explanation for this gap. We claim that sum-based aggregators fail to "mix" features belonging to distinct neighbors, preventing them from succeeding at downstream tasks. To this end, we introduce Sequential Signal Mixing Aggregation (SSMA), a novel plug-and-play aggregation for MPGNNs. SSMA treats the neighbor features as 2D discrete signals and sequentially convolves them, inherently enhancing the ability to mix features attributed to distinct neighbors. By performing extensive experiments, we show that when combining SSMA with well-established MPGNN architectures, we achieve substantial performance gains across various benchmarks, achieving new state-of-the-art results in many settings. We published our code at https://almogdavid.github.io/SSMA/.
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Federated Learning (FL) is a form of distributed learning that allows multiple institutions or clients to collaboratively learn a global model to solve a task. This allows the model to utilize the information from every institute while preserving data privacy. However, recent studies show that the promise of protecting the privacy of data is not upheld by existing methods and that it is possible to recreate the training data from the different institutions. This is done by utilizing gradients transferred between the clients and the global server during training or by knowing the model architecture at the client end. In this paper, we propose a federated learning framework for semantic segmentation without knowing the model architecture nor transferring gradients between the client and the server, thus enabling better privacy preservation. We propose \textit{BlackFed} - a black-box adaptation of neural networks that utilizes zero order optimization (ZOO) to update the client model weights and first order optimization (FOO) to update the server weights. We evaluate our approach on several computer vision and medical imaging datasets to demonstrate its effectiveness. To the best of our knowledge, this work is one of the first works in employing federated learning for segmentation, devoid of gradients or model information exchange. Code: https://github.com/JayParanjape/blackfed/tree/master
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Traditional knowledge graph embedding (KGE) models map entities and relations to unique embedding vectors in a shallow lookup manner. As the scale of data becomes larger, this manner will raise unaffordable computational costs. Anchor-based strategies have been treated as effective ways to alleviate such efficiency problems by propagation on representative entities instead of the whole graph. However, most existing anchor-based KGE models select the anchors in a primitive manner, which limits their performance. To this end, we propose a novel anchor-based strategy for KGE, i.e., a relational clustering-based anchor selection strategy (RecPiece), where two characteristics are leveraged, i.e., (1) representative ability of the cluster centroids and (2) descriptive ability of relation types in KGs. Specifically, we first perform clustering over features of factual triplets instead of entities, where cluster number is naturally set as number of relation types since each fact can be characterized by its relation in KGs. Then, representative triplets are selected around the clustering centroids, further mapped into corresponding anchor entities. Extensive experiments on six datasets show that RecPiece achieves higher performances but comparable or even fewer parameters compared to previous anchor-based KGE models, indicating that our model can select better anchors in a more scalable way.
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We present ProtoViT, a method for interpretable image classification combining deep learning and case-based reasoning. This method classifies an image by comparing it to a set of learned prototypes, providing explanations of the form ``this looks like that.'' In our model, a prototype consists of **parts**, which can deform over irregular geometries to create a better comparison between images. Unlike existing models that rely on Convolutional Neural Network (CNN) backbones and spatially rigid prototypes, our model integrates Vision Transformer (ViT) backbones into prototype based models, while offering spatially deformed prototypes that not only accommodate geometric variations of objects but also provide coherent and clear prototypical feature representations with an adaptive number of prototypical parts. Our experiments show that our model can
Introduction
Conference NIPS2024 accepted paper complete List. Top ranking conferences for AI and Robotics communities. Total Accepted Paper Count 2726