NeurIPS 2025 论文列表

Conference on Neural Information Processing Systems

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5,812篇论文

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Critical Batch Size Revisited: A Simple Empirical Approach to Large-Batch Language Model Training

William Merrill, Shane Arora, Dirk Groeneveld, Hannaneh Hajishirzi

展开摘要

The right batch size is important when training language models at scale: a large batch size is necessary for fast training, but a batch size that is *too large* will harm token efficiency. To navigate this tradeoff, McCandlish et al. (2018) suggest that a *critical batch size* (CBS), below which training will not substantially degrade loss, can be estimated based on the gradient noise scale during training. While their method has been adopted in practice, e.g., when training GPT-3, strong assumptions are required to justify gradient noise as a proxy for the CBS, which makes it unclear whether their approach should be trusted in practice, limiting its applicability. In this paper, we introduce a simple, empirical approach to *directly* measure the CBS and show how the CBS evolves over training. Applying our approach to the OLMo models, we find that CBS is near 0 at initialization, increases rapidly at first, and then plateaus as training progresses. Furthermore, we find that this trend holds across different model sizes (1B and 7B), suggesting CBS from small training runs can inform larger-scale training runs. Our findings about how the CBS changes over training motivate *batch size warmup* as a natural way to reliably train language models at large batch size: start the batch size small and increase it as the CBS grows. To validate this claim, we use batch size warmup to train OLMo 1B to slightly better loss than the original training run with 43% fewer gradient steps. This shows how our framework can be applied to reliably train language models at larger batch sizes, increasing data parallelism without compromising performance.

Spotlight
Learning 3D Persistent Embodied World Models

Siyuan Zhou, Yilun Du, Yuncong Yang, Lei Han, Peihao Chen, Dit-Yan Yeung, Chuang Gan

展开摘要

The ability to simulate the effects of future actions on the world is a crucial ability of intelligent embodied agents, enabling agents to anticipate the effects of their actions and make plans accordingly. While a large body of existing work has explored how to construct such world models using video models, they are often myopic in nature, without any memory of a scene not captured by currently observed images, preventing agents from making consistent long-horizon plans in complex environments where many parts of the scene are partially observed. We introduce a new persistent embodied world model with an explicit memory of previously generated content, enabling much more consistent long-horizon simulation. During generation time, our video diffusion model predicts RGB-D video of the future observations of the agent. This generation is then aggregated into a persistent 3D map of the environment. By conditioning the video model on this 3D spatial map, we illustrate how this enables video world models to faithfully simulate both seen and unseen parts of the world. Finally, we illustrate the efficacy of such a world model in downstream embodied applications, enabling effective planning and policy learning.

Poster
Neurons as Detectors of Coherent Sets in Sensory Dynamics

Joshua L. Pughe-Sanford, Xuehao Ding, Jason J Moore, Anirvan M. Sengupta, Charles Epstein, Philip Greengard, Dmitri Chklovskii

展开摘要

We model sensory streams as observations from high-dimensional stochastic dynamical systems and conceptualize sensory neurons as self-supervised learners of compact representations of such dynamics. From prior experience, neurons learn {\it coherent sets}—regions of stimulus state space whose trajectories evolve cohesively over finite times—and assign membership indices to new stimuli. Coherent sets are identified via spectral clustering of the {\it stochastic Koopman operator (SKO)}, where the sign pattern of a subdominant singular function partitions the state space into minimally coupled regions. For multivariate Ornstein–Uhlenbeck processes, this singular function reduces to a linear projection onto the dominant singular vector of the whitened state-transition matrix. Encoding this singular vector as a receptive field enables neurons to compute membership indices via the projection sign in a biologically plausible manner. Each neuron detects either a {\it predictive} coherent set (stimuli with common futures) or a {\it retrospective} coherent set (stimuli with common pasts), suggesting a functional dichotomy among neurons. Since neurons lack access to explicit dynamical equations, the requisite singular vectors must be estimated directly from data, for example, via past–future canonical correlation analysis on lag-vector representations—an approach that naturally extends to nonlinear dynamics. This framework provides a novel account of neuronal temporal filtering, the ubiquity of rectification in neural responses, and known functional dichotomies. Coherent-set clustering thus emerges as a fundamental computation underlying sensory processing and transferable to bio-inspired artificial systems.

Poster
LangSplatV2: High-dimensional 3D Language Gaussian Splatting with 450+ FPS

Wanhua Li, Yujie Zhao, Minghan Qin, Yang Liu, Yuanhao Cai, Chuang Gan, Hanspeter Pfister

展开摘要

In this paper, we introduce LangSplatV2, which achieves high-dimensional feature splatting at 476.2 FPS and 3D open-vocabulary text querying at 384.6 FPS for high-resolution images, providing a 42 × speedup and a 47 × boost over LangSplat respectively, along with improved query accuracy. LangSplat employs Gaussian Splatting to embed 2D CLIP language features into 3D, significantly enhancing speed and learning a precise 3D language field with SAM semantics. Such advancements in 3D language fields are crucial for applications that require language interaction within complex scenes. However, LangSplat does not yet achieve real- time performance (8.2 FPS), even with advanced A100 GPUs, severely limiting its broader application. In this paper, we first conduct a detailed time analysis of LangSplat, identifying the heavyweight decoder as the primary speed bottleneck. Our solution, LangSplatV2 assumes that each Gaussian acts as a sparse code within a global dictionary, leading to the learning of a 3D sparse coefficient field that entirely eliminates the need for a heavyweight decoder. By leveraging this sparsity, we further propose an efficient sparse coefficient splatting method with CUDA optimization, rendering high-dimensional feature maps at high quality while incurring only the time cost of splatting an ultra-low-dimensional feature. Our experimental results demonstrate that LangSplatV2 not only achieves better or competitive query accuracy but is also significantly faster. Codes and demos are available at our project page: https://langsplat-v2.github.io.

Poster
A Generalized Bisimulation Metric of State Similarity between Markov Decision Processes: From Theoretical Propositions to Applications

Zhenyu Tao, Wei Xu, Xiaohu You

展开摘要

The bisimulation metric (BSM) is a powerful tool for computing state similarities within a Markov decision process (MDP), revealing that states closer in BSM have more similar optimal value functions. While BSM has been successfully utilized in reinforcement learning (RL) for tasks like state representation learning and policy exploration, its application to multiple-MDP scenarios, such as policy transfer, remains challenging. Prior work has attempted to generalize BSM to pairs of MDPs, but a lack of rigorous analysis of its mathematical properties has limited further theoretical progress. In this work, we formally establish a generalized bisimulation metric (GBSM) between pairs of MDPs, which is rigorously proven with the three fundamental properties: GBSM symmetry, inter-MDP triangle inequality, and the distance bound on identical states. Leveraging these properties, we theoretically analyse policy transfer, state aggregation, and sampling-based estimation in MDPs, obtaining explicit bounds that are strictly tighter than those derived from the standard BSM. Additionally, GBSM provides a closed-form sample complexity for estimation, improving upon existing asymptotic results based on BSM. Numerical results validate our theoretical findings and demonstrate the effectiveness of GBSM in multi-MDP scenarios.

Poster
LLM Strategic Reasoning: Agentic Study through Behavioral Game Theory

Jingru Jia, Zehua Yuan, Junhao Pan, Paul E McNamara, Deming Chen

展开摘要

What does it truly mean for a language model to “reason” strategically, and can scaling up alone guarantee intelligent, context-aware decisions? Strategic decision-making requires adaptive reasoning, where agents anticipate and respond to others’ actions under uncertainty. Yet, most evaluations of large language models (LLMs) for strategic decision-making often rely heavily on Nash Equilibrium (NE) benchmarks, overlook reasoning depth, and fail to reveal the mechanisms behind model behavior. To address this gap, we introduce a behavioral game-theoretic evaluation framework that disentangles intrinsic reasoning from contextual influence. Using this framework, we evaluate 22 state-of-the-art LLMs across diverse strategic scenarios. We find models like GPT-o3-mini, GPT-o1, and DeepSeek-R1 lead in reasoning depth. Through thinking chain analysis, we identify distinct reasoning styles—such as maximin or belief-based strategies—and show that longer reasoning chains do not consistently yield better decisions. Furthermore, embedding demographic personas reveals context-sensitive shifts: some models (e.g., GPT-4o, Claude-3-Opus) improve when assigned female identities, while others (e.g., Gemini 2.0) show diminished reasoning under minority sexuality personas. These findings underscore that technical sophistication alone is insufficient; alignment with ethical standards, human expectations, and situational nuance is essential for the responsible deployment of LLMs in interactive settings.

Poster
Evolution of Information in Interactive Decision Making: A Case Study for Multi-Armed Bandits

Yuzhou Gu, Yanjun Han, Jian Qian

展开摘要

We study the evolution of information in interactive decision making through the lens of a stochastic multi-armed bandit problem. Focusing on a fundamental example where a unique optimal arm outperforms the rest by a fixed margin, we characterize the optimal success probability and mutual information over time. Our findings reveal distinct growth phases in mutual information---initially linear, transitioning to quadratic, and finally returning to linear---highlighting curious behavioral differences between interactive and non-interactive environments. In particular, we show that optimal success probability and mutual information can be decoupled, where achieving optimal learning does not necessarily require maximizing information gain. These findings shed new light on the intricate interplay between information and learning in interactive decision making.

Poster
Explore In-Context Message Passing Operator for Graph Neural Networks in A Mean Field Game

Tingting Dan, Xinwei Huang, Won Hwa Kim, Guorong Wu

展开摘要

In typical graph neural networks (GNNs), feature representation learning naturally evolves through iteratively updating node features and exchanging information based on graph topology. In this context, we conceptualize that the learning process in GNNs is a mean-field game (MFG), where each graph node is an agent, interacting with its topologically connected neighbors. However, current GNNs often employ the identical MFG strategy across different graph datasets, regardless of whether the graph exhibits homophilic or heterophilic characteristics. To address this challenge, we propose to formulate the learning mechanism into a variational framework of the MFG inverse problem, introducing an in-context selective message passing paradigm for each agent, which promotes the best overall outcome for the graph. Specifically, we seek for the application-adaptive transportation function (controlling information exchange throughout the graph) and reaction function (controlling feature representation learning on each agent), *on the fly*, which allows us to uncover the most suitable selective mechanism of message passing by solving an MFG variational problem through the lens of Hamiltonian flows. Taken together, our variational framework unifies existing GNN models into various mean-field games with distinct equilibrium states, each characterized by the learned in-context message passing operators. Furthermore, we present an agnostic end-to-end deep model, coined *Game-of-GNN*, to jointly identify the message passing mechanism and fine-tune the GNN hyper-parameters on top of the elucidated message passing operators. *Game-of-GNN* has achieved SOTA performance on diverse graph data, including popular benchmark datasets and human connectomes. More importantly, the mathematical insight of MFG framework provides a new window to understand the foundational principles of graph learning as an interactive dynamical system, which allows us to reshape the idea of designing next-generation GNN models.

Poster
TransferTraj: A Vehicle Trajectory Learning Model for Region and Task Transferability

Tonglong Wei, Yan Lin, Zeyu Zhou, Haomin Wen, Jilin Hu, Shengnan Guo, Youfang Lin, Gao Cong, Huaiyu Wan

展开摘要

Vehicle GPS trajectories provide valuable movement information that supports various downstream tasks and applications. A desirable trajectory learning model should be able to transfer across regions and tasks without retraining, avoiding the need to maintain multiple specialized models and subpar performance with limited training data. However, each region has its unique spatial features and contexts, which are reflected in vehicle movement patterns and are difficult to generalize. Additionally, transferring across different tasks faces technical challenges due to the varying input-output structures required for each task. Existing efforts towards transferability primarily involve learning embedding vectors for trajectories, which perform poorly in region transfer and require retraining of prediction modules for task transfer. To address these challenges, we propose $\textit{TransferTraj}$, a vehicle GPS trajectory learning model that excels in both region and task transferability. For region transferability, we introduce RTTE as the main learnable module within TransferTraj. It integrates spatial, temporal, POI, and road network modalities of trajectories to effectively manage variations in spatial context distribution across regions. It also introduces a TRIE module for incorporating relative information of spatial features and a spatial context MoE module for handling movement patterns in diverse contexts. For task transferability, we propose a task-transferable input-output scheme that unifies the input-output structure of different tasks into the masking and recovery of modalities and trajectory points. This approach allows TransferTraj to be pre-trained once and transferred to different tasks without retraining. We conduct extensive experiments on three real-world vehicle trajectory datasets under various transfer settings, including task transfer, zero-shot region transfer, and few-shot region transfer. Experimental results demonstrate that TransferTraj significantly outperforms state-of-the-art baselines in different scenarios, validating its effectiveness in region and task transfer. Code is available at https://github.com/wtl52656/TransferTraj.

Oral
SAFE: Multitask Failure Detection for Vision-Language-Action Models

Qiao Gu, Yuanliang Ju, Shengxiang Sun, Igor Gilitschenski, Haruki Nishimura, Masha Itkina, Florian Shkurti

展开摘要

While vision-language-action models (VLAs) have shown promising robotic behaviors across a diverse set of manipulation tasks, they achieve limited success rates when deployed on novel tasks out of the box. To allow these policies to safely interact with their environments, we need a failure detector that gives a timely alert such that the robot can stop, backtrack, or ask for help. However, existing failure detectors are trained and tested only on one or a few specific tasks, while generalist VLAs require the detector to generalize and detect failures also in unseen tasks and novel environments. In this paper, we introduce the multitask failure detection problem and propose SAFE, a failure detector for generalist robot policies such as VLAs. We analyze the VLA feature space and find that VLAs have sufficient high-level knowledge about task success and failure, which is generic across different tasks. Based on this insight, we design SAFE to learn from VLA internal features and predict a single scalar indicating the likelihood of task failure. SAFE is trained on both successful and failed rollouts and is evaluated on unseen tasks. SAFE is compatible with different policy architectures. We test it on OpenVLA, $\pi_0$, and $\pi_0$-FAST in both simulated and real-world environments extensively. We compare SAFE with diverse baselines and show that SAFE achieves state-of-the-art failure detection performance and the best trade-off between accuracy and detection time using conformal prediction. More qualitative results and code can be found at the project webpage: https://vla-safe.github.io/

Poster
Agnostic Active Learning Is Always Better Than Passive Learning

Steve Hanneke

展开摘要

We sharply characterize the optimal first-order query complexity of agnostic active learning for all concept classes, and propose a new general active learning algorithm which achieves it. Remarkably, the optimal query complexity admits a leading term which is always strictly smaller than the sample complexity of passive supervised learning (by a factor proportional to the best-in-class error rate). This was not previously known to be possible in the agnostic setting. For comparison, in all previous general analyses, the leading term exhibits an additional factor, such as the disagreement coefficient or related complexity measure, and therefore only provides improvements over passive learning in restricted cases. The present work completely removes such factors from the leading term, implying that $\textit{every}$ concept class benefits from active learning in the non-realizable case. The results established in this work resolve an important long-standing open question central to the past two decades of research on the theory of agnostic active learning.

Oral
JarvisArt: Liberating Human Artistic Creativity via an Intelligent Photo Retouching Agent

Yunlong Lin, Zixu Lin, Kunjie Lin, Jinbin Bai, Panwang Pan, Chenxin Li, Haoyu Chen, Zhongdao Wang, Xinghao Ding, Wenbo Li, Shuicheng YAN

展开摘要

Photo retouching has become integral to contemporary visual storytelling, enabling users to capture aesthetics and express creativity. While professional tools such as Adobe Lightroom offer powerful capabilities, they demand substantial expertise and manual effort. In contrast, existing AI-based solutions provide automation but often suffer from limited adjustability and poor generalization, failing to meet diverse and personalized editing needs. To bridge this gap, we introduce JarvisArt, a multi-modal large language model (MLLM)-driven agent that understands user intent, mimics the reasoning process of professional artists, and intelligently coordinates over 200 retouching tools within Lightroom. JarvisArt undergoes a two-stage training process: an initial Chain-of-Thought supervised fine-tuning to establish basic reasoning and tool-use skills, followed by Group Relative Policy Optimization for Retouching (GRPO-R) to further enhance its decision-making and tool proficiency. We also propose the Agent-to-Lightroom Protocol to facilitate seamless integration with Lightroom. To evaluate performance, we develop MMArt-Bench, a novel benchmark constructed from real-world user edits. JarvisArt demonstrates user-friendly interaction, superior generalization, and fine-grained control over both global and local adjustments, paving a new avenue for intelligent photo retouching. Notably, it outperforms GPT-4o with a 60\% improvement in average pixel-level metrics on MMArt-Bench for content fidelity, while maintaining comparable instruction-following capabilities.

Poster
Among Us: A Sandbox for Measuring and Detecting Agentic Deception

Satvik Golechha, Adrià Garriga-Alonso

展开摘要

Prior studies on deception in language-based AI agents typically assess whether the agent produces a false statement about a topic, or makes a binary choice prompted by a goal, rather than allowing open-ended deceptive behavior to emerge in pursuit of a longer-term goal. To fix this, we introduce $\textit{Among Us}$, a sandbox social deception game where LLM-agents exhibit long-term, open-ended deception as a consequence of the game objectives. While most benchmarks saturate quickly, $\textit{Among Us}$ can be expected to last much longer, because it is a multi-player game far from equilibrium. Using the sandbox, we evaluate $18$ proprietary and open-weight LLMs and uncover a general trend: models trained with RL are comparatively much better at producing deception than detecting it. We evaluate the effectiveness of methods to detect lying and deception: logistic regression on the activations and sparse autoencoders (SAEs). We find that probes trained on a dataset of ``pretend you're a dishonest model: $\dots$'' generalize extremely well out-of-distribution, consistently obtaining AUROCs over 95% even when evaluated just on the deceptive statement, without the chain of thought. We also find two SAE features that work well at deception detection but are unable to steer the model to lie less. We hope our open-sourced sandbox, game logs, and probes serve to anticipate and mitigate deceptive behavior and capabilities in language-based agents.

Spotlight
DynaGuide: Steering Diffusion Polices with Active Dynamic Guidance

Max Du, Shuran Song

展开摘要

Deploying large, complex policies in the real world requires the ability to steer them to fit the needs of a situation. Most common steering approaches, like goal-conditioning, require training the robot policy with a distribution of test-time objectives in mind. To overcome this limitation, we present DynaGuide, a steering method for diffusion policies using guidance from an external dynamics model during the diffusion denoising process. DynaGuide separates the dynamics model from the base policy, which gives it multiple advantages, including the ability to steer towards multiple objectives, enhance underrepresented base policy behaviors, and maintain robustness on low-quality objectives. The separate guidance signal also allows DynaGuide to work with off-the-shelf pretrained diffusion policies. We demonstrate the performance and features of DynaGuide against other steering approaches in a series of simulated and real experiments, showing an average steering success of 70% on a set of articulated CALVIN tasks and outperforming goal-conditioning by 5.4x when steered with low-quality objectives. We also successfully steer an off-the-shelf real robot policy to express preference for particular objects and even create novel behavior.

Poster
Understanding challenges to the interpretation of disaggregated evaluations of algorithmic fairness

Stephen R Pfohl, Natalie Harris, Chirag Nagpal, David Madras, Vishwali Mhasawade, Olawale Elijah Salaudeen, Awa Dieng, Shannon Sequeira, Santiago Eduardo Arciniegas, Lillian Sung, Nnamdi Peter Okechukwu Ezeanochie, Heather Cole-Lewis, Katherine A Heller, Sanmi Koyejo, Alexander Nicholas D'Amour

展开摘要

Disaggregated evaluation across subgroups is critical for assessing the fairness of machine learning models, but its uncritical use can mislead practitioners. We show that equal performance across subgroups is an unreliable measure of fairness when data are representative of the relevant populations but reflective of real-world disparities. Furthermore, when data are not representative due to selection bias, both disaggregated evaluation and alternative approaches based on conditional independence testing may be invalid without explicit assumptions regarding the bias mechanism. We use causal graphical models to characterize fairness properties and metric stability across subgroups under different data generating processes. Our framework suggests complementing disaggregated evaluations with explicit causal assumptions and analysis to control for confounding and distribution shift, including conditional independence testing and weighted performance estimation. These findings have broad implications for how practitioners design and interpret model assessments given the ubiquity of disaggregated evaluation.

Poster
Can DPO Learn Diverse Human Values? A Theoretical Scaling Law

Shawn Im, Sharon Li

展开摘要

Large language models (LLMs) have demonstrated remarkable capabilities but often struggle to align with human preferences, leading to harmful or undesirable outputs. Preference learning, which trains models to distinguish between preferred and non-preferred responses based on human feedback, has become a crucial component for ensuring that LLMs align with human values. An essential part of ensuring that LLMs are aligned for all people is accounting for a diverse set of values. This paper introduces a new theoretical framework to analyze how generalization scales with value diversity and sample quantity in models trained with direct preference optimization. Our framework rigorously assesses how well models generalize after a finite number of gradient steps, reflecting real-world LLM training practices. By analyzing the reward margin associated with each sample and its trajectory throughout training, we provide a bound on the generalization error that demonstrates the challenges of effectively learning a wide set of concepts or values. These insights are empirically validated on contemporary LLMs, underscoring the practical relevance of our theory.

Poster
Depth-Bounds for Neural Networks via the Braid Arrangement

Moritz Leo Grillo, Christoph Hertrich, Georg Loho

展开摘要

We contribute towards resolving the open question of how many hidden layers are required in ReLU networks for exactly representing all continuous and piecewise linear functions on $\mathbb{R}^d$. While the question has been resolved in special cases, the best known lower bound in general is still 2. We focus on neural networks that are compatible with certain polyhedral complexes, more precisely with the braid fan. For such neural networks, we prove a non-constant lower bound of $\Omega(\log\log d)$ hidden layers required to exactly represent the maximum of $d$ numbers. Additionally, we provide a combinatorial proof that neural networks satisfying this assumption require three hidden layers to compute the maximum of 5 numbers; this had only been verified with an excessive computation so far. Finally, we show that a natural generalization of the best known upper bound to maxout networks is not tight, by demonstrating that a rank-3 maxout layer followed by a rank-2 maxout layer is sufficient to represent the maximum of 7 numbers.

Oral
Activation Control for Efficiently Eliciting Long Chain-of-thought Ability of Language Models

Zekai Zhao, Qi Liu, Kun Zhou, Zihan Liu, Yifei Shao, Zhiting Hu, Biwei Huang

展开摘要

Despite the remarkable reasoning performance, eliciting the long chain-of-thought(CoT) ability in large language models(LLMs) typically requires costly reinforcement learning or supervised fine-tuning on high-quality distilled data. We investigate the internal mechanisms behind this capability and show that a small set of high-impact activations in the last few layers, greatly govern the long-form reasoning attributes, e.g. output length and self-reflection. Through simply amplifying these activations and adding ``wait'' tokens, the long CoT ability can be invoked without training, leading to significantly increased self-reflection rate and accuracy. In addition, we also find that the activation changes follow predictable trajectories, i.e. a sharp rise after special tokens and a subsequent exponential decay. Based on these insights, we introduce a general training-free activation control technique. It utilizes a few contrastive examples to identify the relevant activations, and then incorporates simple analytic functions to adjust their values at inference time to elicit long CoTs. Extensive experiments have verified the effectiveness of our methods in efficiently eliciting the long CoT ability of LLMs and improving the performance. Besides, we further propose a parameter-efficient fine-tuning method that trains only the last-layer activation amplification module and a few LoRA layers, outperforming LoRA on reasoning benchmarks with much fewer parameters. Our code and data will be fully public released.

Spotlight
Quartet: Native FP4 Training Can Be Optimal for Large Language Models

Roberto L. Castro, Andrei Panferov, Soroush Tabesh, Oliver Sieberling, Jiale Chen, Mahdi Nikdan, Saleh Ashkboos, Dan Alistarh

展开摘要

Training large language models (LLMs) models directly in low-precision offers a way to address computational costs by improving both throughput and energy efficiency. For those purposes, NVIDIA's recent Blackwell architecture facilitates very low-precision operations using FP4 variants. Yet, current algorithms for training LLMs in FP4 precision face significant accuracy degradation and often rely on mixed-precision fallbacks. In this paper, we investigate hardware-supported FP4 training and introduce a new approach for accurate, end-to-end FP4 training with all the major computations (i.e., linear layers) in low precision. Through extensive evaluations on Llama-type models, we reveal a new low-precision scaling law that quantifies performance trade-offs across bit-widths and training setups. Guided by this investigation, we design an "optimal" technique in terms of accuracy-vs-computation, called Quartet. We implement Quartet using optimized CUDA kernels tailored for Blackwell, demonstrating that fully FP4-based training is a competitive alternative to FP16 half-precision and to FP8 training. Our code is available at https://github.com/IST-DASLab/Quartet .

Poster
The Rich and the Simple: On the Implicit Bias of Adam and SGD

Bhavya Vasudeva, Jung Whan Lee, Vatsal Sharan, Mahdi Soltanolkotabi

展开摘要

Adam is the de facto optimization algorithm for several deep learning applications, but an understanding of its implicit bias and how it differs from other algorithms, particularly standard first-order methods such as (stochastic) gradient descent (GD), remains limited. In practice, neural networks (NNs) trained with SGD are known to exhibit simplicity bias --- a tendency to find simple solutions. In contrast, we show that Adam is more resistant to such simplicity bias. First, we investigate the differences in the implicit biases of Adam and GD when training two-layer ReLU NNs on a binary classification task with Gaussian data. We find that GD exhibits a simplicity bias, resulting in a linear decision boundary with a suboptimal margin, whereas Adam leads to much richer and more diverse features, producing a nonlinear boundary that is closer to the Bayes' optimal predictor. This richer decision boundary also allows Adam to achieve higher test accuracy both in-distribution and under certain distribution shifts. We theoretically prove these results by analyzing the population gradients. Next, to corroborate our theoretical findings, we present extensive empirical results showing that this property of Adam leads to superior generalization across various datasets with spurious correlations where NNs trained with SGD are known to show simplicity bias and do not generalize well under certain distributional shifts.

Poster