NeurIPS 2025 Papers

Test-time adaptation (TTA) for Vision-Language Models (VLMs) aims to enhance performance on unseen test data. However, existing methods struggle to achieve robust and continuous knowledge accumulation during test time. To address this, we propose Statistics Caching test-time Adaptation (SCA), a novel cache-based approach. Unlike traditional feature-caching methods prone to forgetting, SCA continuously accumulates task-specific knowledge from all encountered test samples. By formulating the reuse of past features as a least squares problem, SCA avoids storing raw features and instead maintains compact, incrementally updated feature statistics. This design enables efficient online adaptation without the limitations of fixed-size caches, ensuring that the accumulated knowledge grows persistently over time. Furthermore, we introduce adaptive strategies that leverage the VLM's prediction uncertainty to reduce the impact of noisy pseudo-labels and dynamically balance multiple prediction sources, leading to more robust and reliable performance. Extensive experiments demonstrate that SCA achieves compelling performance while maintaining competitive computational efficiency.

Model-free optimization methods typically rely on cost samples gathered by perturbing the current solution estimate along a finite and fixed set of directions. However, at each iteration, only the current cost samples are used, while potentially informative, previously collected samples are discarded. In this work, we challenge this conventional approach by introducing a simple yet effective memory mechanism that maintains an auxiliary vector of iteratively updated cost samples. By leveraging this stored information, our method estimates descent directions through an averaging of all perturbing directions weighted by the auxiliary vector components. This results in a faster convergence without increasing the number of function queries. By interpreting the resulting algorithm as a time-varying dynamical system, we are able to establish its convergence properties in the strongly convex case. In particular, by using tools from system theory based on timescale separation, we are able to guarantee a linear convergence rate toward an arbitrarily small neighborhood of the optimal solution. Numerical simulations on regression problems demonstrate that the proposed approach significantly outperforms existing model-free optimization methods.

Adversarial optimization algorithms that explicitly search for flaws in agents' policies have been successfully applied to finding robust and diverse policies in the context of multi-agent learning. However, the success of adversarial optimization has been largely limited to zero-sum settings because its naive application in cooperative settings leads to a critical failure mode: agents are irrationally incentivized to *self-sabotage*, blocking the completion of tasks and halting further learning. To address this, we introduce *Rationality-preserving Policy Optimization (RPO)*, a formalism for adversarial optimization that avoids self-sabotage by ensuring agents remain *rational*—that is, their policies are optimal with respect to some possible partner policy. To solve RPO, we develop *Rational Policy Gradient (RPG)*, which trains agents to maximize their own reward in a modified version of the original game in which we use *opponent shaping* techniques to optimize the adversarial objective. RPG enables us to extend a variety of existing adversarial optimization algorithms that, no longer subject to the limitations of self-sabotage, can find adversarial examples, improve robustness and adaptability, and learn diverse policies. We empirically validate that our approach achieves strong performance in several popular cooperative and general-sum environments. Our project page can be found at https://rational-policy-gradient.github.io.

Recent studies indicate that deep neural networks degrade in generalization performance under noisy supervision. Existing methods focus on isolating clean subsets or correcting noisy labels, facing limitations such as high computational costs, heavy hyperparameter tuning process, and coarse-grained optimization. To address these challenges, we propose a novel two-stage noisy learning framework that enables instance-level optimization through a dynamically weighted loss function, avoiding hyperparameter tuning. To obtain stable and accurate information about noise modeling, we introduce a simple yet effective metric, termed $\textit{wrong event}$, which dynamically models the cleanliness and difficulty of individual samples while maintaining computational costs. Our framework first collects $\textit{wrong event}$ information and builds a strong base model. Then we perform noise-robust training on the base model, using a probabilistic model to handle the $\textit{wrong event}$ information of samples. Experiments on six synthetic and real-world LNL benchmarks demonstrate our method surpasses state-of-the-art methods in performance, achieves a nearly 75\% reduction in storage and computational time, strongly improving model scalability. Our code is available at https://github.com/iTheresaApocalypse/IDO.

We study strategic classification in binary decision-making settings where agents can modify their features in order to improve their classification outcomes. Importantly, our work considers the causal structure across different features, acknowledging that effort in one feature may affect other features. The main goal of our work is to understand when and how much agent effort is invested towards desirable features, and how this is influenced by the deployed classifier, the causal structure of the agent's features, their ability to modify them, and the information available to the agent about the classifier and the feature causal graph. We characterize conditions under which agents with full information about the causal structure and the principal's classifier align with the principal's goals of incentivizing effort mostly in ``desirable'' features, and identify cases where designing such classifiers (from the principal's side) is still tractable despite general non-convexity. Under incomplete information, we show that uncertainty leads agents to prioritize features with high expected impact and low variance, which may often be misaligned with the principal's goals. Finally, using numerical experiments based on a cardiovascular disease risk study, we illustrate how to incentivize desirable modifications even under uncertainty.

In this paper, we pioneer the idea of implicit decomposition. And based on this idea, we propose a powerful decomposition-based enhancement framework, namely DecompNet. Our method converts the time series decomposition into an implicit process, where it can give a time series model the decomposition-related knowledge during inference, even though this model does not actually decompose the input time series. Thus, our DecompNet can enable a model to inherit the performance promotion brought by time series decomposition but will not introduce any additional inference costs, successfully enhancing the model performance while enjoying better efficiency. Experimentally, our DecompNet exhibits promising enhancement capability and compelling framework generality. Especially, it can also enhance the performance of the latest and state-of-the-art models, greatly pushing the performance limit of time series forecasting. Through comprehensive comparisons, DecompNet also shows excellent performance and efficiency superiority, making the decomposition-based enhancement framework surpass the well-recognized normalization-based frameworks for the first time. Code is available at this repository: https://github.com/luodhhh/DecompNet.

We study a fundamental question of domain generalization: given a family of domains (i.e., data distributions), how many randomly sampled domains do we need to collect data from in order to learn a model that performs reasonably well on every seen and unseen domain in the family? We model this problem in the PAC framework and introduce a new combinatorial measure, which we call the domain shattering dimension. We show that this dimension characterizes the domain sample complexity. Furthermore, we establish a tight quantitative relationship between the domain shattering dimension and the classic VC dimension, demonstrating that every hypothesis class that is learnable in the standard PAC setting is also learnable in our setting.

We propose a new approach to vision-based dexterous grasp translation, which aims to transfer grasp intent across robotic hands with differing morphologies. Given a visual observation of a source hand grasping an object, our goal is to synthesize a functionally equivalent grasp for a target hand without requiring paired demonstrations or hand-specific simulations. We frame this problem as a stochastic transport between grasp distributions using the Schrödinger Bridge formalism. Our method learns to map between source and target latent grasp spaces via score and flow matching, conditioned on visual observations. To guide this translation, we introduce physics-informed cost functions that encode alignment in base pose, contact maps, wrench space, and manipulability. Experiments across diverse hand-object pairs demonstrate that our approach generates stable, physically grounded grasps with strong generalization. This work enables semantic grasp transfer for heterogeneous manipulators and bridges vision-based grasping with probabilistic generative modeling. Additional details at https://grasp2grasp.github.io/.

Recent monocular metric depth estimation (MMDE) methods have made notable progress towards zero-shot generalization. However, they still exhibit a significant performance drop on out-of-distribution datasets. We address this limitation by injecting defocus blur cues at inference time into Marigold, a \textit{pre-trained} diffusion model for zero-shot, scale-invariant monocular depth estimation (MDE). Our method effectively turns Marigold into a metric depth predictor in a training-free manner. To incorporate defocus cues, we capture two images with a small and a large aperture from the same viewpoint. To recover metric depth, we then optimize the metric depth scaling parameters and the noise latents of Marigold at inference time using gradients from a loss function based on the defocus-blur image formation model. We compare our method against existing state-of-the-art zero-shot MMDE methods on a self-collected real dataset, showing quantitative and qualitative improvements.

Representation Alignment (REPA) that aligns Diffusion Transformer (DiT) hidden-states with ViT visual encoders has proven highly effective in DiT training, demonstrating superior convergence properties, but it has not been validated on the canonical diffusion U-Net architecture that shows faster convergence compared to DiTs. However, adapting REPA to U-Net architectures presents unique challenges: (1) different block functionalities necessitate revised alignment strategies; (2) spatial-dimension inconsistencies emerge from U-Net's spatial downsampling operations; (3) space gaps between U-Net and ViT hinder the effectiveness of tokenwise alignment. To encounter these challenges, we propose U-REPA, a representation alignment paradigm that bridges U-Net hidden states and ViT features as follows: Firstly, we propose via observation that due to skip connection, the middle stage of U-Net is the best alignment option. Secondly, we propose upsampling of U-Net features after passing them through MLPs. Thirdly, we observe difficulty when performing tokenwise similarity alignment, and further introduces a manifold loss that regularizes the relative similarity between samples. Experiments indicate that the resulting U-REPA could achieve excellent generation quality and greatly accelerates the convergence speed. With CFG guidance interval, U-REPA could reach FID<1.5 in 200 epochs or 1M iterations on ImageNet 256 $\times$ 256, and needs only half the total epochs to perform better than REPA under \textit{sd-vae-ft-ema}.

Inferring 3D human motion from video remains a challenging problem with many applications. While traditional methods estimate the human in image coordinates, many applications require human motion to be estimated in world coordinates. This is particularly challenging when there is both human and camera motion. Progress on this topic has been limited by the lack of rich video data with ground truth human and camera movement. We address this with BEDLAM2.0, a new dataset that goes beyond the popular BEDLAM dataset in important ways. In addition to introducing more diverse and realistic cameras and camera motions, BEDLAM2.0 increases diversity and realism of body shape, motions, clothing, hair, and 3D environments. Additionally, it adds shoes, which were missing in BEDLAM. BEDLAM has become a key resource for training 3D human pose and motion regressors today and we show that BEDLAM2.0 is significantly better, particularly for training methods that estimate humans in world coordinates. We compare state-of-the art methods trained on BEDLAM and BEDLAM2.0, and find that BEDLAM2.0 significantly improves accuracy over BEDLAM. For research purposes, we provide the rendered videos, ground truth body parameters, and camera motions. We also provide the 3D assets to which we have rights and links to those from third parties.

We introduce EnerVerse, a generative robotics foundation model that constructs and interprets embodied spaces. EnerVerse employs a chunk-wise autoregressive video diffusion framework to predict future embodied spaces from instructions, enhanced by a sparse context memory for long-term reasoning. To model the 3D robotics world, we adopt a multi-view video representation, providing rich perspectives to address challenges like motion ambiguity and 3D grounding. Additionally, EnerVerse-D, a data engine pipeline combining generative modeling with 4D Gaussian Splatting, forms a self-reinforcing data loop to reduce the sim-to-real gap. Leveraging these innovations, EnerVerse translates 4D world representations into physical actions via a policy head (EnerVerse-A), achieving state-of-the-art performance in both simulation and real-world tasks. For efficiency, EnerVerse-A reuses features from the first denoising step and predicts action chunks, achieving about 280 ms per 8-step action chunk on a single RTX 4090. Further video demos, dataset samples could be found in our project page.

Erasing harmful or proprietary concepts from powerful text‑to‑image generators is an emerging safety requirement, yet current ``concept erasure'' techniques either collapse image quality, rely on brittle adversarial losses, or demand prohibitive retraining cycles. We trace these limitations to a myopic view of the denoising trajectories that govern diffusion‑based generation. We introduce EraseFlow, the first framework that casts concept unlearning as exploration in the space of denoising paths and optimizes it with a GFlowNets equipped with the trajectory‑balance objective. By sampling entire trajectories rather than single end states, EraseFlow learns a stochastic policy that steers generation away from target concepts while preserving the model’s prior. EraseFlow eliminates the need for carefully crafted reward models and by doing this, it generalizes effectively to unseen concepts and avoids hackable rewards while improving the performance. Extensive empirical results demonstrate that EraseFlow outperforms existing baselines and achieves an optimal trade-off between performance and prior preservation.

Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends critically on robust benchmarks and minimal, information-rich datasets that enable meaningful model evaluation. This paper critically examines common datasets and reported metrics for a crystal structure prediction task—generating the most likely structures given the chemical composition of a material. We focus on three key issues: First, materials datasets should contain unique crystal structures; for example, we show that the widely-utilized carbon-24 dataset only contains $\approx 40$% unique structures. Second, materials datasets should not be split randomly if polymorphs of many different compositions are numerous—which we find to be the case for the perov-5 and MP-20 datasets. Third, benchmarks can mislead if used uncritically, e.g., reporting a match rate metric without considering the structural variety exhibited by identical building blocks. To address these oft-overlooked issues, we introduce several fixes. We provide revised versions of the carbon-24 dataset: one with duplicates removed, one deduplicated and split by number of atoms $N$, one with enantiomorphs, and two containing only identical structures but with different unit cells. We also propose new splits for datasets with polymorphs, ensuring that polymorphs are grouped within each split subset, setting a more sensible standard for benchmarking model performance. Finally, we present METRe and cRMSE, new model evaluation metrics that can correct existing issues with the match rate metric.

Transformers have achieved remarkable success across natural language processing (NLP) and computer vision (CV). However, deep transformer models often suffer from an over-smoothing issue, in which token representations converge to similar values as they pass through successive transformer blocks. In this paper, we establish an equivalence between the hidden-state dynamics induced by stacked attention layers and graph neural diffusion on a complete graph. From this perspective, over-smoothing can be interpreted as a consequence of the dissipative nature of the underlying diffusion dynamics. Motivated by this physical interpretation, we propose Wavy Transformer, which consists of a novel attention layer based on second-order wavy dynamics. We also introduce a feed-forward network and a normalization layer designed to preserve the physical state-velocity relationship under the chain rule, thereby extending the transformer architecture. We further validate our proposed techniques on various transformer models for NLP and CV tasks. The results consistently demonstrate that Wavy Transformer improves performance with minimal additional parameters and no extra hyperparameter tuning.

Process reward models (PRMs) offer fine-grained, step-level evaluations that facilitate deeper reasoning processes in large language models (LLMs), proving effective in complex tasks like mathematical reasoning. However, developing PRMs is challenging due to the high cost and limited scalability of human-annotated data. Synthetic data from Monte Carlo (MC) estimation is a promising alternative but suffers from a high noise ratio, which can cause overfitting and hinder large-scale training. In this work, we conduct a preliminary study on the noise distribution in synthetic data from MC estimation, identifying that annotation models tend to both underestimate and overestimate step correctness due to limitations in their annotation capabilities. Building on these insights, we propose {\bf S}elf-Denoising Monte {\bf C}arlo {\bf An}notation (\textsc{Scan}), an efficient data synthesis and noise-tolerant learning framework. Our key findings indicate that: (1) Even lightweight models (e.g., 1.5B parameters) can produce high-quality annotations through self-denoising strategy, enabling PRMs to achieve superior performance with only 6\% the inference cost required by vanilla MC estimation. (2) With our robust learning strategy, PRMs can effectively learn from this weak supervision, achieving a 39.2 F1 score improvement (from 19.9 to 59.1) in ProcessBench. Despite using only a compact synthetic dataset, our models surpass strong baselines, including those trained on large-scale human-annotated datasets such as PRM800K. Furthermore, performance continues to improve as we scale up the synthetic data, highlighting the potential of \textsc{Scan} for scalable, cost-efficient, and robust PRM training.

Learning robust representations from unlabeled time series is crucial, and contrastive learning offers a promising avenue. However, existing contrastive learning approaches for time series often struggle with defining meaningful similarities, tending to overlook inherent physical correlations and diverse, sequence-varying non-stationarity. This limits their representational quality and real-world adaptability. To address these limitations, we introduce AdaTS, a novel adaptive soft contrastive learning strategy. AdaTS offers a compute-efficient solution centered on dynamic instance-wise and temporal assignments to enhance time series representations, specifically by: (i) leveraging Time-Frequency Coherence for robust physics-guided similarity measurement; (ii) preserving relative instance similarities through ordinal consistency learning; and (iii) dynamically adapting to sequence-specific non-stationarity with dynamic temporal assignments. AdaTS is designed as a pluggable module to standard contrastive frameworks, achieving up to 13.7% accuracy improvements across diverse time series datasets and three state-of-the-art contrastive frameworks while enhancing robustness against label scarcity. The code will be publicly available upon acceptance.

Assessing the safety of autonomous driving (AD) systems against security threats, particularly backdoor attacks, is a stepping stone for real-world deployment. However, existing works mainly focus on pixel-level triggers which are impractical to deploy in the real world. We address this gap by introducing a novel backdoor attack against the end-to-end AD systems that leverage one or more other vehicles' trajectories as triggers. To generate precise trigger trajectories, we first use temporal logic (TL) specifications to define the behaviors of attacker vehicles. Configurable behavior models are then used to generate these trajectories, which are quantitatively evaluated and iteratively refined based on the TL specifications. We further develop a negative training strategy by incorporating patch trajectories that are similar to triggers but are designated not to activate the backdoor. It enhances the stealthiness of the attack and refines the system’s responses to trigger scenarios. Through extensive experiments on 5 offline reinforcement learning (RL) driving agents with 6 trigger patterns and target actions combinations, we demonstrate the flexibility and effectiveness of our proposed attack, showing the under-exploration of existing end-to-end AD systems' vulnerabilities to such trajectory-based backdoor attacks. Videos of our attack are available at: https://sites.google.com/view/tlbackdoor/home.

Counterfactual inference is a powerful tool for analysing and evaluating autonomous agents, but its application to language model (LM) agents remains challenging. Existing work on counterfactuals in LMs has primarily focused on token-level counterfactuals, which are often inadequate for LM agents due to their open-ended action spaces. Unlike traditional agents with fixed, clearly defined action spaces, the actions of LM agents are often implicit in the strings they output, making their action spaces difficult to define and interpret. Furthermore, the meanings of individual tokens can shift depending on the context, adding complexity to token-level reasoning and sometimes leading to biased or meaningless counterfactuals. We introduce \emph{Abstract Counterfactuals}, a framework that emphasises high-level characteristics of actions and interactions within an environment, enabling counterfactual reasoning tailored to user-relevant features. Our experiments demonstrate that the approach produces consistent and meaningful counterfactuals while minimising the undesired side effects of token-level methods. We conduct experiments on text-based games and counterfactual text generation, while considering both token-level and latent-space interventions.