NeurIPS 2025 论文列表

In this work, we study the scalability of offline reinforcement learning (RL) algorithms. In principle, a truly scalable offline RL algorithm should be able to solve any given problem, regardless of its complexity, given sufficient data, compute, and model capacity. We investigate if and how current offline RL algorithms match up to this promise on diverse, challenging, previously unsolved tasks, using datasets up to 1000× larger than typical offline RL datasets. We observe that despite scaling up data, many existing offline RL algorithms exhibit poor scaling behavior, saturating well below the maximum performance. We hypothesize that the horizon is the main cause behind the poor scaling of offline RL. We empirically verify this hypothesis through several analysis experiments, showing that long horizons indeed present a fundamental barrier to scaling up offline RL. We then show that various horizon reduction techniques substantially enhance scalability on challenging tasks. Based on our insights, we also introduce a minimal yet scalable method named SHARSA that effectively reduces the horizon. SHARSA achieves the best asymptotic performance and scaling behavior among our evaluation methods, showing that explicitly reducing the horizon unlocks the scalability of offline RL.

The capabilities of Large Language Models (LLMs) are routinely evaluated by other LLMs trained to predict human preferences. This framework—known as *LLM-as-a-judge*—is highly scalable and relatively low cost. However, it is also vulnerable to malicious exploitation, as LLM responses can be tuned to overfit the preferences of the judge. Previous work shows that the answers generated by a candidate-LLM can be edited *post hoc* to maximise the score assigned to them by a judge-LLM. In this study, we adopt a different approach and use the signal provided by judge-LLMs as a reward to adversarially tune models that generate text preambles designed to boost downstream performance. We find that frozen LLMs pipelined with these models attain higher LLM-evaluation scores than existing frameworks. Crucially, unlike other frameworks which intervene directly on the model's response, our method is virtually undetectable. We also demonstrate that the effectiveness of the tuned preamble generator transfers when the candidate-LLM and the judge-LLM are replaced with models that are not used during training. These findings raise important questions about the design of more reliable LLM-as-a-judge evaluation settings. They also demonstrate that human preferences can be reverse engineered effectively, by pipelining LLMs to optimise upstream preambles via reinforcement learning—an approach that could find future applications in diverse tasks and domains beyond adversarial attacks.

Can neural networks systematically capture discrete, compositional task structure despite their continuous, distributed nature? The impressive capabilities of large-scale neural networks suggest that the answer to this question is yes. However, even for the most capable models, there are still frequent failure cases that raise doubts about their compositionality. Here, we seek to understand what it takes for a standard neural network to generalize over tasks that share compositional structure. We find that simply scaling data and model size leads to compositional generalization. We show that this holds across different task encodings as long as the training distribution sufficiently covers the task space. In line with this finding, we prove that standard multilayer perceptrons can approximate a general class of compositional task families to arbitrary precision using only a linear number of neurons with respect to the number of task modules. Finally, we uncover that if networks successfully compositionally generalize, the constituents of a task can be linearly decoded from their hidden activations. We show that this metric correlates with failures of text-to-image generation models to compose known concepts.

Scaling limits, such as infinite-width limits, serve as promising theoretical tools to study large-scale models. However, it is widely believed that existing infinite-width theory does not faithfully explain the behavior of practical networks, especially those trained in *standard parameterization* (SP) meaning He initialization with a global learning rate. For instance, existing theory for SP predicts instability at large learning rates and vanishing feature learning at stable ones. In practice, however, optimal learning rates decay slower than theoretically predicted and networks exhibit both stable training and non-trivial feature learning, even at very large widths. Here, we show that this discrepancy is not fully explained by finite-width phenomena. Instead, we find a resolution through a finer-grained analysis of the regime previously considered unstable and therefore uninteresting. In particular, we show that, under the cross-entropy (CE) loss, the unstable regime comprises two distinct sub-regimes: a catastrophically unstable regime and a more benign controlled divergence regime, where logits diverge but gradients and activations remain stable. Moreover, under large learning rates at the edge of the controlled divergence regime, there exists a well-defined infinite width limit where features continue to evolve in all the hidden layers. In experiments across optimizers, architectures, and data modalities, we validate that neural networks operate in this controlled divergence regime under CE loss but not under MSE loss. Our empirical evidence suggests that width-scaling considerations are surprisingly useful for predicting empirically maximal stable learning rate exponents which provide useful guidance on optimal learning rate exponents. Finally, our analysis clarifies the effectiveness and limitations of recently proposed layerwise learning rate scalings for standard initialization.

A common paradigm to improve the performance of large language models is optimizing for a reward model. Reward models assign a numerical score to an LLM’s output that indicates, for example, how likely it is to align with user preferences or safety goals. However, reward models are never perfect. They inevitably function as proxies for complex desiderata such as correctness, helpfulness, and safety. By overoptimizing for a misspecified reward, we can subvert intended alignment goals and reduce overall performance -- a phenomenon commonly referred to as reward hacking. In this work, we characterize reward hacking in inference-time alignment and demonstrate when and how we can mitigate it by hedging on the proxy reward. We study this phenomenon under Best-of-$n$ (BoN) and Soft Best-of-$n$ (SBoN), and we introduce Best-of-Poisson (BoP) that provides an efficient, near-exact approximation of the optimal reward-KL divergence policy at inference time. We show that the characteristic pattern of hacking as observed in practice (where the true reward first increases before declining) is an inevitable property of a broad class of inference-time mechanisms, including BoN and BoP. To counter this effect, we introduce $\texttt{HedgeTune}$, an efficient algorithm to find the optimal inference-time parameter. We demonstrate that hedging mitigates reward hacking and achieves superior reward-distortion tradeoffs on math, reasoning, and human-preference setups.

This paper's primary objective is to develop a robust generalist perception model capable of addressing multiple tasks under constraints of computational resources and limited training data. We leverage text-to-image diffusion models pre-trained on billions of images and successfully introduce our DICEPTION, a visual generalist model. Exhaustive evaluations demonstrate that DICEPTION effectively tackles diverse perception tasks, even achieving performance comparable to SOTA single-task specialist models. Specifically, we achieve results on par with SAM-vit-h using only 0.06% of their data (e.g., 600K vs.\ 1B pixel-level annotated images). We designed comprehensive experiments on architectures and input paradigms, demonstrating that the key to successfully re-purposing a single diffusion model for multiple perception tasks lies in maximizing the preservation of the pre-trained model's prior knowledge. Consequently, DICEPTION can be trained with substantially lower computational costs than conventional models requiring training from scratch. Furthermore, adapting DICEPTION to novel tasks is highly efficient, necessitating fine-tuning on as few as 50 images and approximately 1% of its parameters. Finally, we demonstrate that a subtle application of classifier-free guidance can improve the model's performance on depth and normal estimation. We also show that pixel-aligned training, as is characteristic of perception tasks, significantly enhances the model's ability to preserve fine details. DICEPTION offers valuable insights and presents a promising direction for the development of advanced diffusion-based visual generalist models.

We introduce a new family of algorithms for detecting and estimating a rank-one signal from a noisy observation under prior information about that signal's direction, focusing on examples where the signal is known to have entries biased to be positive. Given a matrix observation $\mathbf{Y}$, our algorithms construct a *nonlinear Laplacian*, another matrix of the form $\mathbf{Y} + \mathrm{diag}(\sigma(\mathbf{Y1}))$ for a nonlinear $\sigma: \mathbb{R} \to \mathbb{R}$, and examine the top eigenvalue and eigenvector of this matrix. When $\mathbf{Y}$ is the (suitably normalized) adjacency matrix of a graph, our approach gives a class of algorithms that search for unusually dense subgraphs by computing a spectrum of the graph "deformed" by the degree profile $\mathbf{Y1}$. We study the performance of such algorithms compared to direct spectral algorithms (the case $\sigma = 0$) on models of sparse principal component analysis with biased signals, including the Gaussian planted submatrix problem. For such models, we rigorously characterize the strength of rank-one signal, as a function of the nonlinearity $\sigma$, required for an outlier eigenvalue to appear in the spectrum of a nonlinear Laplacian matrix. While identifying the $\sigma$ that minimizes the required signal strength in closed form seems intractable, we explore three approaches to design $\sigma$ numerically: exhaustively searching over simple classes of $\sigma$, learning $\sigma$ from datasets of problem instances, and tuning $\sigma$ using black-box optimization of the critical signal strength. We find both theoretically and empirically that, if $\sigma$ is chosen appropriately, then nonlinear Laplacian spectral algorithms substantially outperform direct spectral algorithms, while retaining the conceptual simplicity of spectral methods compared to broader classes of computations like approximate message passing or general first order methods.

3D modeling is moving from virtual to physical. Existing 3D generation primarily emphasizes geometries and textures while neglecting physical-grounded modeling. Consequently, despite the rapid development of 3D generative models, the synthesized 3D assets often overlook rich and important physical properties, hampering their real-world application in physical domains like simulation and embodied AI. As an initial attempt to address this challenge, we propose \textbf{PhysX}, an end-to-end paradigm for physical-grounded 3D asset generation. \textbf{1)} To bridge the critical gap in physics-annotated 3D datasets, we present \textbf{\ourname}\ - the first physics-grounded 3D dataset systematically annotated across five foundational dimensions: \textbf{\textcolor{color2}{absolute scale}}, \textbf{\textcolor{color3}{material}}, \textbf{\textcolor{color1}{affordance}}, \textbf{\textcolor{color4}{kinematics}}, and \textbf{\textcolor{color5}{function description}}. In particular, we devise a scalable human-in-the-loop annotation pipeline based on vision-language models, which enables efficient creation of physics-first assets from raw 3D assets. \textbf{2)} Furthermore, we propose \textbf{PhysXGen}, a feed-forward framework for physics-grounded 3D asset generation, injecting physical knowledge into the pre-trained 3D structural space. Specifically, PhysXGen employs a dual-branch architecture to explicitly model the latent correlations between 3D structures and physical properties, thereby producing 3D assets with plausible physical predictions while preserving the native geometry quality. Extensive experiments validate the superior performance and promising generalization capability of our framework. All the code, data, and models will be released to facilitate future research in generative physical AI.

Detecting anomalies in multivariate time-series data is an essential task across various domains, yet there are unresolved challenges such as (1) severe class imbalance between normal and anomalous data due to rare anomaly availability in the real world; (2) limited adaptability of the static graph-based methods to dynamically changing inter-variable correlations; and (3) neglect of subtle anomalies due to overfitting to normal patterns in reconstruction-based methods. To tackle these issues, we propose Self-Perturbed Anomaly-Aware Graph Dynamics (SPAGD), a framework for time-series anomaly detection. SPAGD employs a self-perturbation module that generates self-perturbed time series from the reconstruction process of normal ones, which provide auxiliary signals to alleviate class imbalance during training. Concurrently, an anomaly-aware graph construction module is proposed to dynamically adjust the graph structure by leveraging the reconstruction residuals of self-perturbed time series, thereby emphasizing the inter-variable disruptions induced by anomalous candidates. A unified spatio-temporal anomaly detection module then integrates both spatial and temporal convolutions to train a classifier that distinguishes normal time series from the auxiliary self-perturbed samples. Extensive experiments across multiple benchmark datasets demonstrate the effectiveness of SPAGD compared to state-of-the-art baselines.

We propose a framework to convert $(\varepsilon, \delta)$-approximate Differential Privacy (DP) mechanisms into $(\varepsilon', 0)$-pure DP mechanisms under certain conditions, a process we call ``purification.'' This algorithmic technique leverages randomized post-processing with calibrated noise to eliminate the $\delta$ parameter while achieving near-optimal privacy-utility tradeoff for pure DP. It enables a new design strategy for pure DP algorithms: first run an approximate DP algorithm with certain conditions, and then purify. This approach allows one to leverage techniques such as strong composition and propose-test-release that require $\delta>0$ in designing pure-DP methods with $\delta=0$. We apply this framework in various settings, including Differentially Private Empirical Risk Minimization (DP-ERM), stability-based release, and query release tasks. To the best of our knowledge, this is the first work with a statistically and computationally efficient reduction from approximate DP to pure DP. Finally, we illustrate the use of this reduction for proving lower bounds under approximate DP constraints with explicit dependence in $\delta$, avoiding the sophisticated fingerprinting code construction.

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic structural operations, lacking the capacity to generate semantically rich nodes with meaningful textual attributes—a critical limitation for real-world applications. While large language models (LLMs) demonstrate exceptional text generation capabilities, their direct application to graph synthesis is impeded by context window limitations, hallucination phenomena, and structural consistency challenges. To address these issues, we introduce \textbf{GraphMaster}—the first multi-agent framework specifically designed for graph data synthesis in data-limited environments. GraphMaster orchestrates four specialized LLM agents (Manager, Perception, Enhancement, and Evaluation) that collaboratively optimize the synthesis process through iterative refinement, ensuring both semantic coherence and structural integrity. To rigorously evaluate our approach, we create new data-limited “Sub” variants of six standard graph benchmarks, specifically designed to test synthesis capabilities under realistic constraints. Additionally, we develop a novel interpretability assessment framework that combines human evaluation with a principled Grassmannian manifold-based analysis, providing both qualitative and quantitative measures of semantic coherence. Experimental results demonstrate that GraphMaster significantly outperforms traditional synthesis methods across multiple datasets, establishing a strong foundation for advancing GFMs in data-scarce environments.

Offline goal-conditioned reinforcement learning (GCRL) offers a practical learning paradigm in which goal-reaching policies are trained from abundant state–action trajectory datasets without additional environment interaction. However, offline GCRL still struggles with long-horizon tasks, even with recent advances that employ hierarchical policy structures, such as HIQL. Identifying the root cause of this challenge, we observe the following insight. Firstly, performance bottlenecks mainly stem from the high-level policy’s inability to generate appropriate subgoals. Secondly, when learning the high-level policy in the long-horizon regime, the sign of the advantage estimate frequently becomes incorrect. Thus, we argue that improving the value function to produce a clear advantage estimate for learning the high-level policy is essential. In this paper, we propose a simple yet effective solution: _**Option-aware Temporally Abstracted**_ value learning, dubbed **OTA**, which incorporates temporal abstraction into the temporal-difference learning process. By modifying the value update to be _option-aware_, our approach contracts the effective horizon length, enabling better advantage estimates even in long-horizon regimes. We experimentally show that the high-level policy learned using the OTA value function achieves strong performance on complex tasks from OGBench, a recently proposed offline GCRL benchmark, including maze navigation and visual robotic manipulation environments. Our code is available at https://github.com/ota-v/ota-v

We study the tradeoff between sample complexity and round complexity in *on-demand sampling*, where the learning algorithm adaptively samples from $k$ distributions over a limited number of rounds. In the realizable setting of Multi-Distribution Learning (MDL), we show that the optimal sample complexity of an $r$-round algorithm scales approximately as $dk^{\Theta(1/r)} / \epsilon$. For the general agnostic case, we present an algorithm that achieves near-optimal sample complexity of $\widetilde O((d + k) / \epsilon^2)$ within $\widetilde O(\sqrt{k})$ rounds. Of independent interest, we introduce a new framework, Optimization via On-Demand Sampling (OODS), which abstracts the sample-adaptivity tradeoff and captures most existing MDL algorithms. We establish nearly tight bounds on the round complexity in the OODS setting. The upper bounds directly yield the $\widetilde O(\sqrt{k})$-round algorithm for agnostic MDL, while the lower bounds imply that achieving sub-polynomial round complexity would require fundamentally new techniques that bypass the inherent hardness of OODS.

Dense and versatile image representations underpin the success of virtually all computer vision applications. However, state-of-the-art networks, such as transformers, produce low-resolution feature grids, which are suboptimal for dense prediction tasks. To address this limitation, we present *FlowFeat*, a high-resolution and multi-task feature representation. The key ingredient behind FlowFeat is a novel distillation technique that embeds a distribution of plausible apparent motions, or *motion profiles*. By leveraging optical flow networks and diverse video data, we develop an effective self-supervised training framework that statistically approximates the apparent motion. With its remarkable level of spatial detail, FlowFeat encodes a compelling degree of geometric and semantic cues while exhibiting high temporal consistency. Empirically, FlowFeat significantly enhances the representational power of five state-of-the-art encoders and alternative upsampling strategies across three dense tasks: video object segmentation, monocular depth estimation and semantic segmentation. Training FlowFeat is computationally inexpensive and robust to inaccurate flow estimation, remaining highly effective even when using unsupervised flow networks. Our work takes a step forward towards reliable and versatile dense image representations.

In non-clairvoyant scheduling, the goal is to minimize the total job completion time without prior knowledge of individual job processing times. This classical online optimization problem has recently gained attention through the framework of learning-augmented algorithms. We introduce a natural setting in which the scheduler receives continuous feedback in the form of progress bars—estimates of the fraction of each job completed over time. We design new algorithms for both adversarial and stochastic progress bars and prove strong competitive bounds. Our results in the adversarial case surprisingly induce improved guarantees for learning-augmented scheduling with job size predictions. We also introduce a general method for combining scheduling algorithms, yielding further insights in scheduling with predictions. Finally, we propose a stochastic model of progress bars as a more optimistic alternative to conventional worst-case models, and present an asymptotically optimal scheduling algorithm in this setting.

Masked diffusion models have demonstrated competitive results on various tasks including language generation. However, due to its iterative refinement process, the inference is often bottlenecked by slow and static sampling speed. To overcome this problem, we introduce `KL-Adaptive Stability Sampling' (KLASS), a fast yet effective sampling method that exploits token-level KL divergence to identify stable, high-confidence predictions. By unmasking multiple tokens in each iteration without any additional model training, our approach speeds up generation significantly while maintaining sample quality. On reasoning benchmarks, KLASS achieves up to $2.78\times$ wall-clock speedups while improving performance over standard greedy decoding, attaining state-of-the-art results among diffusion-based samplers. We further validate KLASS across diverse domains, including text, image, and molecular generation, showing its effectiveness as a broadly applicable sampler across different models.

As language models scale, their performance improves dramatically across a wide range of tasks, but so does their tendency to memorize and regurgitate parts of their training data verbatim. This tradeoff poses serious legal, ethical, and safety concerns, especially in real-world deployments. Existing mitigation techniques, such as differential privacy or model unlearning, often require retraining or access to internal weights making them impractical for most users. In this work, we introduce TokenSwap, a lightweight, post-hoc defense designed for realistic settings where the user can only access token-level outputs. Our key insight is that while large models are necessary for high task performance, small models (e.g., DistilGPT-2) are often sufficient to assign fluent, grammatically plausible probabilities to common function words - and crucially, they memorize far less. By selectively swapping token probabilities between models, TokenSwap preserves the capabilities of large models while reducing their propensity for verbatim reproduction. Evaluations on Pythia-6.9B and Llama-3-8B show up to a 10$\times$ drop in exact memorization with negligible task degradation. Our method offers a practical, accessible solution for mitigating memorized generation in deployed LLMs. Code is available at https://github.com/parjanya20/verbatim-llm.

Discrete diffusion models (DDMs) have shown powerful generation ability for discrete data modalities like text and molecules. However, their practical application is hindered by inefficient sampling, requiring a large number of sampling steps. Accelerating DDMs by using larger step sizes typically introduces significant problems in generation quality, as it amplifies the impact of both the compounding decoding error due to factorized predictions and discretization error from numerical approximations, leading to a significant decrease in sampling quality. To address these challenges, we propose learnable sampler distillation (LSD), a novel approach to train fast and high-fidelity samplers for DDMs. LSD employs a distillation approach where a student sampler with a few steps learns to align its intermediate score trajectory with that of a high-quality teacher sampler with numerous steps. This alignment is achieved by optimizing learnable sampler coefficients that adaptively adjust sampling dynamics. Additionally, we further propose LSD+, which also learns time schedules that allocate steps non-uniformly. Experiments across text generation, image generation, and synthetic tasks demonstrate that our proposed approaches outperform existing samplers for DDMs, achieving substantially higher sampling quality with significantly fewer sampling steps.

Invariant Point Attention (IPA) is a key algorithm for geometry-aware modeling in structural biology, central to many protein and RNA models. However, its quadratic complexity limits the input sequence length. We introduce FlashIPA, a factorized reformulation of IPA that leverages hardware-efficient FlashAttention to achieve linear scaling in GPU memory and wall-clock time with sequence length. FlashIPA matches or exceeds standard IPA performance while substantially reducing computational costs. FlashIPA extends training to previously unattainable lengths, and we demonstrate this by re-training generative models without length restrictions and generating structures of thousands of residues. FlashIPA is available at https://github.com/flagshippioneering/flash_ipa.