NeurIPS 2025 Papers

Knowledge distillation (KD) is a core component in the training and deployment of modern generative models, particularly large language models (LLMs). While its empirical benefits are well documented---enabling smaller student models to emulate the performance of much larger teachers---the underlying mechanisms by which KD improves generative quality remain poorly understood. In this work, we present a minimal working explanation of KD in generative modeling. Using a controlled simulation with mixtures of Gaussians, we demonstrate that distillation induces a trade-off between precision and recall in the student model. As the teacher distribution becomes more selective, the student concentrates more probability mass on high-likelihood regions at the expense of coverage---a behavior modulated by a single entropy-controlling parameter. We then validate this effect in a large-scale language modeling setup using the SmolLM2 family of models. Empirical results reveal the same precision–recall dynamics observed in simulation, where precision corresponds to sample quality and recall to distributional coverage. This precision-recall trade-off in LLMs is found to be especially beneficial in scenarios where sample quality is more important than diversity, such as instruction tuning or downstream generation. Our analysis provides a simple and general explanation for the effectiveness of KD in generative modeling.

Extracting optical flow from videos remains a core computer vision problem. Motivated by the recent success of large general-purpose models, we ask whether frozen self-supervised video models trained only to predict future frames can be prompted, without fine-tuning, to output flow. Prior attempts to read out depth or illumination from video generators required fine-tuning; that strategy is ill-suited for flow, where labeled data is scarce and synthetic datasets suffer from a sim-to-real gap. Inspired by the Counterfactual World Model (CWM) paradigm, which can obtain point-wise correspondences by injecting a small tracer perturbation into a next-frame predictor and tracking its propagation, we extend this idea to generative video models for zero-shot flow extraction. We explore several popular architectures and find that successful zero-shot flow extraction in this manner is aided by three model properties: (1) distributional prediction of future frames (avoiding blurry or noisy outputs); (2) factorized latents that treat each spatio-temporal patch independently; and (3) random-access decoding that can condition on any subset of future pixels. These properties are uniquely present in the recently introduced Local Random Access Sequence (LRAS) architecture. Building on LRAS, we propose KL-tracing: a novel test-time inference procedure that injects a localized perturbation into the first frame, rolls out the model one step, and computes the Kullback–Leibler divergence between perturbed and unperturbed predictive distributions. Without any flow-specific fine-tuning, our method is competitive with state-of-the-art, task-specific models on the real-world TAP-Vid DAVIS benchmark and the synthetic TAP-Vid Kubric. Our results show that counterfactual prompting of controllable generative video models is an effective alternative to supervised or photometric-loss methods for high-quality flow.

If you tell a learning model that you prefer an alternative $a$ over another alternative $b$, then you probably expect the model to be *monotone*, that is, the valuation of $a$ increases, and that of $b$ decreases. Yet, perhaps surprisingly, many widely deployed comparison-based preference learning models, including large language models, fail to have this guarantee. Until now, the only comparison-based preference learning algorithms that were proved to be monotone are the Generalized Bradley-Terry models. Yet, these models are unable to generalize to uncompared data. In this paper, we advance the understanding of the set of models with generalization ability that are *monotone*. Namely, we propose a new class of Linear Generalized Bradley-Terry models with Diffusion Priors, and identify sufficient conditions on alternatives' embeddings that guarantee monotonicity. Our experiments show that this monotonicity is far from being a general guarantee, and that our new class of generalizing models improves accuracy, especially when the dataset is limited.

Massively parallel GPU simulation environments have accelerated reinforcement learning (RL) research by enabling fast data collection for on-policy RL algorithms like Proximal Policy Optimization (PPO). To maximize throughput, it is common to use short rollouts per policy update, increasing the update-to-data (UTD) ratio. However, we find that, in this setting, standard synchronous resets introduce harmful nonstationarity, skewing the learning signal and destabilizing training. We introduce staggered resets, a simple yet effective technique where environments are initialized and reset at varied points within the task horizon. This yields training batches with more uniform state visitation distributions, reducing the nonstationarity induced by synchronized rollouts. We characterize dimensions along which RL environments can benefit significantly from staggered resets through toy environments. We then apply this technique to challenging high-dimensional robotics environments, achieving significantly higher sample efficiency, faster wall-clock convergence, and stronger final performance. Finally, this technique scales better with more parallel environments compared to naive synchronized rollouts, yielding more optimal utilization of computational resources.

Explainable clustering by axis-aligned decision trees was introduced by Moshkovitz et al. (2020) and has gained considerable interest. Prior work has focused on minimizing the price of explainability for specific clustering objectives, lacking a general method to fit an explanation tree to any given clustering, without restrictions. In this work, we propose a new and generic approach to explainable clustering, based on spectral graph partitioning. With it, we design an explainable clustering algorithm that can fit an explanation tree to any given non-explainable clustering, or directly to the dataset itself. Moreover, we show that prior algorithms can also be interpreted as graph partitioning, through a generalized framework due to Trevisan (2013) wherein cuts are optimized in two graphs simultaneously. Our experiments show the favorable performance of our method compared to baselines on a range of datasets.

Compositional generalization—a key open challenge in modern machine learning—requires models to predict unknown combinations of known concepts. However, assessing compositional generalization remains a fundamental challenge due to the lack of standardized evaluation protocols and the limitations of current benchmarks, which often favor efficiency over rigor. At the same time, general-purpose vision architectures lack the necessary inductive biases, and existing approaches to endow them compromise scalability. As a remedy, this paper introduces: 1) a rigorous evaluation framework that unifies and extends previous approaches while reducing computational requirements from combinatorial to constant; 2) an extensive and modern evaluation on the status of compositional generalization in supervised vision backbones, training more than 5000 models; 3) Attribute Invariant Networks, a class of models establishing a new Pareto frontier in compositional generalization, achieving a 23.43% accuracy improvement over baselines while reducing parameter overhead from 600% to 16% compared to fully disentangled counterparts.

Large Language Models (LLMs) continue to exhibit vulnerabilities despite deliberate safety alignment efforts, posing significant risks to users and society. To safeguard against the risk of policy-violating content, system-level moderation via external guard models—designed to monitor LLM inputs and outputs and block potentially harmful content—has emerged as a prevalent mitigation strategy. Existing approaches of training guard models rely heavily on extensive human curated datasets and struggle with out-of-distribution threats, such as emerging harmful categories or jailbreak attacks. To address these limitations, we propose RSafe, an adaptive reasoning-based safeguard that conducts guided safety reasoning to provide robust protection within the scope of specified safety policies. RSafe operates in two stages: (1) guided reasoning, where it analyzes safety risks of input content through policy-guided step-by-step reasoning, and (2) reinforced alignment, where rule-based RL optimizes its reasoning paths to align with accurate safety prediction. This two-stage training paradigm enables RSafe to internalize safety principles to generalize safety protection capability over unseen or adversarial safety violation scenarios. During inference, RSafe accepts user-specified safety policies to provide enhanced safeguards tailored to specific safety requirements. Experiments demonstrate that RSafe matches state-of-the-art guard models using limited amount of public data in both prompt- and response-level harmfulness detection, while achieving superior out-of-distribution generalization on both emerging harmful category and jailbreak attacks. Furthermore, RSafe provides human-readable explanations for its safety judgments for better interpretability. RSafe offers a robust, adaptive, and interpretable solution for LLM safety moderation, advancing the development of reliable safeguards in dynamic real-world environments. Our code is available at https://anonymous.4open.science/r/RSafe-996D.

The widespread deployment of Large Language Models (LLMs) trained on massive, uncurated corpora has raised growing concerns about the inclusion of sensitive, copyrighted, or illegal content. This has led to increasing interest in LLM unlearning: the task of selectively removing specific information from a model without retraining from scratch or degrading overall utility. However, existing methods often rely on large-scale forget and retain datasets, and suffer from unnatural responses, poor generalization, or catastrophic utility loss. In this work, we propose $\textbf{R}$einforcement $\textbf{U}$n$\textbf{LE}$arning ($\textbf{RULE}$), an efficient framework that formulates unlearning as a refusal boundary optimization problem. RULE is trained with a small portion of forget set and synthesized boundary queries, using a verifiable reward function that encourages safe refusal on forget-related queries while preserving helpful responses on permissible inputs. We provide both theoretical and empirical evidence demonstrating the effectiveness of RULE in achieving targeted unlearning without compromising model utility. Experimental results show that, with only 12\% forget set and 8\% synthesized boundary data, RULE outperforms existing baselines by up to $17.4\%$ forget quality and $16.3\%$ naturalness response while maintaining general utility, achieving $\textit{forget-retain Pareto Optimality}$. Remarkably, we further observe that RULE improves the $\textit{naturalness}$ of model outputs, enhances training $\textit{efficiency}$, and exhibits strong $\textit{generalization ability}$, generalizing refusal behavior to semantically related but unseen queries.

Bayesian Optimization (BO) has the potential to solve various combinatorial tasks, ranging from materials science to neural architecture search. However, BO requires specialized kernels to effectively model combinatorial domains. Recent efforts have introduced several combinatorial kernels, but the relationships among them are not well understood. To bridge this gap, we develop a unifying framework based on heat kernels, which we derive in a systematic way and express as simple closed-form expressions. Using this framework, we prove that many successful combinatorial kernels are either related or equivalent to heat kernels, and validate this theoretical claim in our experiments. Moreover, our analysis confirms and extends the results presented in Bounce: certain algorithms' performance decreases substantially when the unknown optima of the function do not have a certain structure. In contrast, heat kernels are not sensitive to the location of the optima. Lastly, we show that a fast and simple pipeline, relying on heat kernels, is able to achieve state-of-the-art results, matching or even outperforming certain slow or complex algorithms.

The dynamic nature of real-world information demands efficient knowledge editing in multimodal large language models (MLLMs) to ensure continuous knowledge updates. However, existing methods often struggle with precise matching in large-scale knowledge retrieval and lack multi-level guidance for coordinated editing, leading to less reliable outcomes. To tackle these challenges, we propose CARML, a novel retrieval-augmented editing framework that integrates conflict-aware dynamic retrieval with multi-level implicit and explicit guidance for reliable lifelong multimodal editing. Specifically, CARML introduces intra-modal uncertainty and inter-modal conflict quantification to dynamically integrate multi-channel retrieval results, so as to pinpoint the most relevant knowledge to the incoming edit samples. Afterwards, an edit scope classifier discerns whether the edit sample semantically aligns with the edit scope of the retrieved knowledge. If deemed in-scope, CARML refines the retrieved knowledge into information-rich continuous prompt prefixes, serving as the implicit knowledge guide. These prefixes not only include static knowledge prompt that capture key textual semantics but also incorporate token-level, context-aware dynamic prompt to explore fine-grained cross-modal associations between the edit sample and retrieved knowledge. To further enhance reliability, CARML incorporates a "hard correction" mechanism, leveraging explicit label knowledge to adjust the model’s output logits. Extensive experiments across multiple MLLMs and datasets indicate the superior performance of CARML in lifelong multimodal editing scenarios.

Thompson Sampling (TS) is widely used to address the exploration/exploitation tradeoff in contextual bandits, yet recent theory shows that it does not explore aggressively enough in high-dimensional problems. Feel-Good Thompson Sampling (FG-TS) addresses this by adding an optimism bonus that biases toward high-reward models, and it achieves the asymptotically minimax-optimal regret in the linear setting when posteriors are exact. However, its performance with \emph{approximate} posteriors, common in large-scale or neural problems, has not been benchmarked. We provide the first systematic study of FG-TS and its smoothed variant (SFG-TS) across fourteen real-world and synthetic benchmarks. To evaluate their robustness, we compare performance across settings with exact posteriors (linear and logistic bandits) to approximate regimes produced by fast but coarse stochastic-gradient samplers. Ablations over preconditioning, bonus scale, and prior strength reveal a trade-off: larger bonuses help when posterior samples are accurate, but hurt when sampling noise dominates. FG-TS generally outperforms vanilla TS in linear and logistic bandits, but tends to be weaker in neural bandits. Nevertheless, because FG-TS and its variants are competitive and easy-to-use, we recommend them as baselines in modern contextual-bandit benchmarks. Finally, we provide source code for all our experiments in https://github.com/SarahLiaw/ctx-bandits-mcmc-showdown.

Our objective is to develop compact video representations that are sensitive to visual change over time. To measure such time-sensitivity, we introduce a new task: chiral action recognition, where one needs to distinguish between a pair of temporally opposite actions, such as “opening vs. closing a door", “approaching vs. moving away from something", “folding vs. unfolding paper", etc. Such actions (i) occur frequently in everyday life, (ii) require understanding of simple visual change over time (in object state, size, spatial position, count . . . ), and (iii) are known to be poorly represented by many video embeddings. Our goal is to build time aware video representations which offer linear separability between these chiral pairs. To that end, we propose a self-supervised adaptation recipe to inject time-sensitivity into a sequence of frozen image features. Our model is based on an auto-encoder with a latent space with inductive bias inspired by perceptual straightening. We show that this results in a compact but time-sensitive video representation for the proposed task across three datasets: Something-Something, EPIC-Kitchens, and Charade. Our method (i) outperforms much larger video models pre-trained on large-scale video datasets, and (ii) leads to an improvement in classification performance on standard benchmarks when combined with these existing models.

The growing adoption of machine learning models for biological sequences has intensified the need for interpretable predictions, with Shapley values emerging as a theoretically grounded standard for model explanation. While effective for local explanations of individual input sequences, scaling Shapley-based interpretability to extract global biological insights requires evaluating thousands of sequences—incurring exponential computational cost per query. We introduce SHAP zero, a novel algorithm that amortizes the cost of Shapley value computation across large-scale biological datasets. After a one-time model sketching step, SHAP zero enables near-zero marginal cost for future queries by uncovering an underexplored connection between Shapley values, high-order feature interactions, and the sparse Fourier transform of the model. Applied to models of guide RNA efficacy, DNA repair outcomes, and protein fitness, SHAP zero explains predictions orders of magnitude faster than existing methods, recovering rich combinatorial interactions previously inaccessible at scale. This work opens the door to principled, efficient, and scalable interpretability for black-box sequence models in biology.

Recent advances in diffusion models have enabled high-quality video generation, but the additional temporal dimension significantly increases computational costs, making training and inference on long videos prohibitively expensive. In this paper, we identify a phenomenon we term Spatiotemporal Energy Decay in video diffusion models: post-softmax attention scores diminish as spatial and temporal distance between tokens increase, akin to the physical decay of signal or waves over space and time in nature. Motivated by this, we propose Radial Attention, a scalable sparse attention mechanism with $\mathcal{O}(n \log n)$ complexity that translates energy decay into exponentially decaying compute density, which is significantly more efficient than standard $\mathcal{O}(n^2)$ dense attention and more expressive than linear attention. Specifically, Radial Attention employs a simple, static attention mask where each token attends to spatially nearby tokens, with the attention window size shrinking with temporal distance. Moreover, it allows pre-trained video diffusion models to extend their generation length with efficient LoRA-based fine-tuning. Extensive experiments show that \method maintains video quality across Wan2.1-14B, HunyuanVideo, and Mochi 1, achieving up to a 1.9× speedup over the original dense attention. With minimal tuning, it enables video generation up to 4× longer while reducing training costs by up to 4.4× compared to direct fine-tuning and accelerating inference by up to 3.7× compared to dense attention inference. Code is released at https://github.com/mit-han-lab/radial-attention.

Real-world time series analysis, such as healthcare, autonomous driving, and solar energy, faces unique challenges arising from the scarcity of labeled data, highlighting the need for effective semi-supervised learning methods. While the Virtual Adversarial Training (VAT) method has shown promising performance in leveraging unlabeled data for smoother predictive distributions, straightforward extensions of VAT often fall short on time series tasks as they neglect the temporal structure of the data in the adversarial perturbation. In this paper, we propose the framework of functional Virtual Adversarial Training (f-VAT) that can incorporate the functional structure of the data into perturbations. By theoretically establishing a duality between the perturbation norm and the functional model sensitivity, we propose to use an appropriate Sobolev ($H^{-s}$) norm to generate structured functional adversarial perturbations for semi-supervised time series classification. Our proposed f-VAT method outperforms recent methods and achieves superior performance in extensive semi-supervised time series classification tasks (e.g., up to $ \approx 9$ % performance improvement). We also provide additional visualization studies to offer further insights into the superiority of f-VAT.

As the field progresses toward Artificial General Intelligence (AGI), there is a pressing need for more comprehensive and insightful evaluation frameworks that go beyond aggregate performance metrics. This paper introduces a unified rating system that jointly models the difficulty of individual test cases and the competency of AI models (or humans) across vision, language, and action domains. Unlike existing metrics that focus solely on models, our approach allows for fine-grained, difficulty-aware evaluations through competitive interactions between models and tasks, capturing both the long-tail distribution of real-world challenges and the competency gap between current models and full task mastery. We validate the generalizability and robustness of our system through extensive experiments on multiple established datasets and models across distinct AGI domains. The resulting rating distributions offer novel perspectives and interpretable insights into task difficulty, model progression, and the outstanding challenges that remain on the path to achieving full AGI task mastery. We have made our code and results publicly available at https://ss47816.github.io/AGI-Elo/.

Transformers have demonstrated effectiveness in solving partial differential equations (PDEs). However, extending them to solve PDEs on complex geometries remains a challenge. In this work, we propose SpiderSolver, a geometry-aware transformer that introduces spiderweb tokenization for handling complex domain geometry and irregularly discretized points. Our method partitions the irregular spatial domain into spiderweb-like patches, guided by the domain boundary geometry. SpiderSolver leverages a coarse-grained attention mechanism to capture global interactions across spiderweb tokens and a fine-grained attention mechanism to refine feature interactions between the domain boundary and its neighboring interior points. We evaluate SpiderSolver on PDEs with diverse domain geometries across seven datasets, including cars, airfoils, blood flow in the human thoracic aorta, as well as canonical cases governed by the Navier-Stokes, Darcy flow, elasticity, and plasticity equations. Experimental results demonstrate that SpiderSolver consistently achieves state-of-the-art performance across different datasets and metrics, with better generalization ability in the OOD setting. The code is available at https://github.com/Kai-Qi/SpiderSolver.

Backdoor learning is a critical research topic for understanding the vulnerabilities of deep neural networks. While the diffusion model (DM) has been broadly deployed in public over the past few years, the understanding of its backdoor vulnerability is still in its infancy compared to the extensive studies in discriminative models. Recently, many different backdoor attack and defense methods have been proposed for DMs, but a comprehensive benchmark for backdoor learning on DMs is still lacking. This absence makes it difficult to conduct fair comparisons and thoroughly evaluate existing approaches, thus hindering future research progress. To address this issue, we propose *BackdoorDM*, the first comprehensive benchmark designed for backdoor learning on DMs. It comprises nine state-of-the-art (SOTA) attack methods, four SOTA defense strategies, and three useful visualization analysis tools. We first systematically classify and formulate the existing literature in a unified framework, focusing on three different backdoor attack types and five backdoor target types, which are restricted to a single type in discriminative models. Then, we systematically summarize the evaluation metrics for each type and propose a unified backdoor evaluation method based on multimodal large language model (MLLM). Finally, we conduct a comprehensive evaluation and highlight several important conclusions. We believe that BackdoorDM will help overcome current barriers and contribute to building a trustworthy artificial intelligence generated content (AIGC) community. The codes are released in https://github.com/linweiii/BackdoorDM.

The remarkable progress in neural-network-driven visual data generation, especially with neural rendering techniques like Neural Radiance Fields and 3D Gaussian splatting, offers a powerful alternative to GANs and diffusion models. These methods can generate high-fidelity images and lifelike avatars, highlighting the need for robust detection methods. However, the lack of any large dataset containing images from neural rendering methods becomes a bottleneck for the detection of such sophisticated fake images. To address this limitation, we introduce NeuroRenderedFake, a comprehensive benchmark for evaluating emerging fake image detection methods. Our key contributions are threefold: (1) A large-scale dataset of fake images synthesized using state-of-the-art neural rendering techniques, significantly expanding the scope of fake image detection beyond generative models; (2) A cross-domain evaluation protocol designed to assess the domain gap and common artifacts between generative and neural rendering-based fake images; and (3) An in-depth spectral energy analysis that reveals how frequency domain characteristics influence the performance of fake image detectors. We train representative detectors, based on spatial, spectral, and multimodal architectures, on fake images generated by both generative and neural rendering models. We evaluate these detectors on 15 groups of fake images synthesized by cutting-edge neural rendering models, generative models, and combined methods that can exhibit artifacts from both domains. Additionally, we provide insightful findings through detailed experiments on degraded fake image detection and the impact of spectral features, aiming to advance research in this critical area.