NeurIPS 2025 论文列表

Effective trajectory stitching for long-horizon planning is a significant challenge in robotic decision-making. While diffusion models have shown promise in planning, they are limited to solving tasks similar to those seen in their training data. We propose CompDiffuser, a novel generative approach that can solve new tasks by learning to compositionally stitch together shorter trajectory chunks from previously seen tasks. Our key insight is modeling the trajectory distribution by subdividing it into overlapping chunks and learning their conditional relationships through a single bidirectional diffusion model. This allows information to propagate between segments during generation, ensuring physically consistent connections. We conduct experiments on benchmark tasks of various difficulties, covering different environment sizes, agent state dimension, trajectory types, training data quality, and show that CompDiffuser significantly outperforms existing methods.

Topological descriptors have been increasingly utilized for capturing multiscale structural information in relational data. In this work, we consider various filtrations on the (box) product of graphs and the effect on their outputs on the topological descriptors - the Euler characteristic (EC) and persistent homology (PH). In particular, we establish a complete characterization of the expressive power of EC on general color-based filtrations. We also show that the PH descriptors of (virtual) graph products contain strictly more information than the computation on individual graphs, whereas EC does not. Additionally, we provide algorithms to compute the PH diagrams of the product of vertex- and edge-level filtrations on the graph product. We also substantiate our theoretical analysis with empirical investigations on runtime analysis, expressivity, and graph classification performance. Overall, this work paves way for powerful graph persistent descriptors via product filtrations. Code is available at https://github.com/Aalto-QuML/tda_graph_product.

We find that the cross-entropy loss curves of neural language models empirically adhere to a scaling law with learning rate (LR) annealing over training steps: $$L(s) = L_0 + A\cdot S_1^{-\alpha} - C\cdot S_2,$$ where $L(s)$ is the validation loss at step $s$, $S_1$ is the area under the LR curve, $S_2$ is the LR annealing area, and $L_0$, $A$, $C$, $\alpha$ are constant parameters. This formulation accounts for two main effects: (1) power-law scaling over data size, and (2) the additional loss reduction during LR annealing. Unlike previous studies that only fit losses at final steps, our formulation captures the entire training curve, allowing for parameter fitting using losses from any training step. Applying the scaling law with LR annealing and fitting only one or two training curves, we can accurately predict the loss at any given step under any learning rate scheduler (LRS). This approach significantly reduces computational cost in formulating scaling laws while providing more accuracy and expressiveness. Extensive experiments demonstrate that our findings hold across a range of hyper-parameters and model architectures and can extend to scaling effect of model sizes. Moreover, our formulation provides accurate theoretical insights into empirical results observed in numerous previous studies, particularly those focusing on LR schedule and annealing. We believe that this work is promising to enhance the understanding of LLM training dynamics while democratizing scaling laws, and it is helpful to guide both research and industrial participants in refining training strategies for further LLMs.

Multi-bit quantization networks enable flexible deployment of deep neural networks by supporting multiple precision levels within a single model. However, existing approaches suffer from significant training overhead as full-dataset updates are repeated for each supported bit-width, resulting in a cost that scales linearly with the number of precisions. Additionally, extra fine-tuning stages are often required to support additional or intermediate precision options, further compounding the overall training burden. To address this issue, we propose two techniques that greatly reduce the training overhead without compromising model utility: (i) Weight bias correction enables shared batch normalization and eliminates the need for fine-tuning by neutralizing quantization-induced bias across bit-widths and aligning activation distributions; and (ii) Bit-wise coreset sampling strategy allows each child model to train on a compact, informative subset selected via gradient-based importance scores by exploiting the implicit knowledge transfer phenomenon. Experiments on CIFAR-10/100, TinyImageNet, and ImageNet-1K with both ResNet and ViT architectures demonstrate that our method achieves competitive or superior accuracy while reducing training time up to 7.88×.

Medical Visual Question Answering (Med-VQA) holds significant potential for clinical decision support, yet existing efforts primarily focus on 2D imaging with limited task diversity. This paper presents 3D-RAD, a large-scale dataset designed to advance 3D Med-VQA using radiology CT scans. The 3D-RAD dataset encompasses six diverse VQA tasks: anomaly detection, image observation, medical computation, existence detection, static temporal diagnosis, and longitudinal temporal diagnosis. It supports both open- and closed-ended questions while introducing complex reasoning challenges, including computational tasks and multi-stage temporal analysis, to enable comprehensive benchmarking. Extensive evaluations demonstrate that existing vision-language models (VLMs), especially medical VLMs exhibit limited generalization, particularly in multi-temporal tasks, underscoring the challenges of real-world 3D diagnostic reasoning. To drive future advancements, we release a high-quality training set 3D-RAD-T of 136,195 expert-aligned samples, showing that fine-tuning on this dataset could significantly enhance model performance. Our dataset and code, aiming to catalyze multimodal medical AI research and establish a robust foundation for 3D medical visual understanding, are publicly available.

Policy exploration is critical in reinforcement learning (RL), where existing approaches include $\epsilon$-greedy, Gaussian process, etc. However, these approaches utilize preset stochastic processes and are indiscriminately applied in all kinds of RL tasks without considering task-specific features that influence policy exploration. Moreover, during RL training, the evolution of such stochastic processes is rigid, which typically only incorporates a decay in the variance, failing to adjust flexibly according to the agent's real-time learning status. Inspired by the analyzing and reasoning capability of large language models (LLMs), we design **LLM-Explorer** to adaptively generate task-specific exploration strategies with LLMs, enhancing the policy exploration in RL. In our design, we sample the learning trajectory of the agent during the RL training in a given task and prompt the LLM to analyze the agent's current policy learning status and then generate a probability distribution for future policy exploration. Updating the probability distribution periodically, we derive a stochastic process specialized for the particular task and dynamically adjusted to adapt to the learning process. Our design is a plug-in module compatible with various widely applied RL algorithms, including the DQN series, DDPG, TD3, and any possible variants developed based on them. Through extensive experiments on the Atari and MuJoCo benchmarks, we demonstrate LLM-Explorer's capability to enhance RL policy exploration, achieving an average performance improvement up to 37.27%. Our code is open-source at https://github.com/tsinghua-fib-lab/LLM-Explorer for reproducibility.

Few-shot learning (FSL) aims to recognize novel concepts from only a few labeled support samples. Recent studies enhance support features by incorporating additional semantic information (e.g., class descriptions) or designing complex semantic fusion modules. However, these methods still suffer from hallucinating semantics that contradict the visual evidence due to the lack of grounding in actual instances, resulting in noisy guidance and costly corrections. To address these issues, we propose a novel framework, bridging Vision and Text with LLMs for Few-Shot Learning (VT-FSL), which constructs precise cross-modal prompts conditioned on Large Language Models (LLMs) and support images, seamlessly integrating them through a geometry-aware alignment mechanism. It mainly consists of Cross-modal Iterative Prompting (CIP) and Cross-modal Geometric Alignment (CGA). Specifically, the CIP conditions an LLM on both class names and support images to generate precise class descriptions iteratively in a single structured reasoning pass. These descriptions not only enrich the semantic understanding of novel classes but also enable the zero-shot synthesis of semantically consistent images. The descriptions and synthetic images act respectively as complementary textual and visual prompts, providing high-level class semantics and low-level intra-class diversity to compensate for limited support data. Furthermore, the CGA jointly aligns the fused textual, support, and synthetic visual representations by minimizing the kernelized volume of the 3-dimensional parallelotope they span. It captures global and nonlinear relationships among all representations, enabling structured and consistent multimodal integration. The proposed VT-FSL method establishes new state-of-the-art performance across ten diverse benchmarks, including standard, cross-domain, and fine-grained few-shot learning scenarios. Code is available at https://github.com/peacelwh/VT-FSL.

Decentralized training removes the centralized server, making it a communication-efficient approach that can significantly improve training efficiency, but it often suffers from degraded performance compared to centralized training. Multi-Gossip Steps (MGS) serve as a simple yet effective bridge between decentralized and centralized training, significantly reducing experiment performance gaps. However, the theoretical reasons for its effectiveness and whether this gap can be fully eliminated by MGS remain open questions. In this paper, we derive upper bounds on the generalization error and excess error of MGS using stability analysis, systematically answering these two key questions. 1). Optimization Error Reduction: MGS reduces the optimization error bound at an exponential rate, thereby exponentially tightening the generalization error bound and enabling convergence to better solutions. 2). Gap to Centralization: Even as MGS approaches infinity, a non-negligible gap in generalization error remains compared to centralized mini-batch SGD ($\mathcal{O}(T^{\frac{c\beta}{c\beta +1}}/{n m})$ in centralized and $\mathcal{O}(T^{\frac{2c\beta}{2c\beta +2}}/{n m^{\frac{1}{2c\beta +2}}})$ in decentralized). Furthermore, we provide the first unified analysis of how factors like learning rate, data heterogeneity, node count, per-node sample size, and communication topology impact the generalization of MGS under non-convex settings without the bounded gradients assumption, filling a critical theoretical gap in decentralized training. Finally, promising experiments on CIFAR datasets support our theoretical findings.

Are there any conditions under which a generative model’s outputs are guaranteed not to infringe the copyrights of its training data? This is the question of "provable copyright protection" first posed by Vyas, Kakade, and Barak [ICML 2023]. They define _near access-freeness (NAF)_ and propose it as sufficient for protection. This paper revisits the question and establishes new foundations for provable copyright protection---foundations that are firmer both technically and legally. First, we show that NAF alone does not prevent infringement. In fact, NAF models can enable verbatim copying, a blatant failure of copy protection that we dub being _tainted_. Then, we introduce our _blameless copy protection framework_ for defining meaningful guarantees, and instantiate it with _clean-room copy protection_. Clean-room copy protection allows a user to control their risk of copying by behaving in a way that is unlikely to copy in a counterfactual "clean-room setting." Finally, we formalize a common intuition about differential privacy and copyright by proving that DP implies clean-room copy protection when the dataset is _golden_, a copyright deduplication requirement.

Reward models play a critical role in guiding large language models toward outputs that align with human expectations. However, an open challenge remains in effectively utilizing test-time compute to enhance reward model performance. In this work, we introduce Reward Reasoning Models (RRMs), which are specifically designed to execute a deliberate reasoning process before generating final rewards. Through chain-of-thought reasoning, RRMs leverage additional test-time compute for complex queries where appropriate rewards are not immediately apparent. To develop RRMs, we implement a reinforcement learning framework that fosters self-evolved reward reasoning capabilities without requiring explicit reasoning traces as training data. Experimental results demonstrate that RRMs achieve superior performance on reward modeling benchmarks across diverse domains. Notably, we show that RRMs can adaptively exploit test-time compute to further improve reward accuracy. The pretrained models are available at https://huggingface.co/Reward-Reasoning.

Although graph-based learning has attracted a lot of attention, graph representation learning is still a challenging task whose resolution may impact key application fields such as chemistry or biology. To this end, we introduce GRALE, a novel graph autoencoder that encodes and decodes graphs of varying sizes into a shared embedding space. GRALE is trained using an Optimal Transport-inspired loss that compares the source and reconstructed graphs and leverages a differentiable matching module, which is trained jointly with the encoder and decoder. The proposed attention-based architecture relies on Evoformer, the core component of AlphaFold, which we extend to support both graph encoding and decoding. We show, in numerical experiments on simulated and molecular data, that GRALE enables a highly general form of pre-training, applicable to a wide range of downstream tasks, from classification and regression to more complex tasks such as graph interpolation, editing, matching, and prediction.

Continual learning (CL) has been a critical topic in contemporary deep neural network applications, where higher levels of both forward and backward transfer are desirable for an effective CL performance. Existing CL strategies primarily focus on task models — either by regularizing model updates or by separating task-specific and shared components — while often overlooking the potential of leveraging inter-task relationships to enhance transfer. To address this gap, we propose a transferability-aware task embedding, termed H-embedding, and construct a hypernet framework under its guidance to learn task-conditioned model weights for CL tasks. Specifically, H-embedding is derived from an information theoretic measure of transferability and is designed to be online and easy to compute. Our method is also characterized by notable practicality, requiring only the storage of a low-dimensional task embedding per task and supporting efficient end-to-end training. Extensive evaluations on benchmarks including CIFAR-100, ImageNet-R, and DomainNet show that our framework performs prominently compared to various baseline and SOTA approaches, demonstrating strong potential in capturing and utilizing intrinsic task relationships. Our code is publicly available at \url{https://github.com/viki760/H-embedding-Guided-Hypernet}.

We study how training data contributes to the emergence of toxic behaviors in large language models. Most prior work on reducing model toxicity adopts *reactive* approaches, such as fine-tuning pre-trained (and potentially toxic) models to align them with human values. In contrast, we propose a *proactive* approach—IF-Guide—that leverages influence functions to identify and suppress harmful tokens in the training data. To this end, we first show that standard influence functions are ineffective at discovering harmful training records. We then present a novel adaptation that measures token-level attributions from training data to model toxicity, along with techniques for selecting toxic training documents and a learning objective that can be integrated into both pre-training and fine-tuning. Moreover, IF-Guide does not rely on human-preference data, which is typically required by existing alignment methods. In our evaluation, we demonstrate that IF-Guide substantially reduces both explicit and implicit toxicity—by up to 10$\times$ compared to uncensored models, and up to 3$\times$ compared to baseline alignment methods such as DPO and RAD—across both pre-training and fine-tuning scenarios. IF-Guide is computationally efficient: a billion-parameter model is *not necessary* for computing influence scores; a million-parameter model—with 7.5$\times$ fewer parameters—can effectively serve as a proxy for identifying harmful data.

In this paper, we study the classical Hedge algorithm in combinatorial settings. In each round, the learner selects a vector $\mathbf{x}_t$ from a set $\mathcal{X} \subseteq$ {$0,1$}$^d$, observes a full loss vector $\mathbf{y}_t \in \mathbb{R}^d$, and incurs a loss $\langle \mathbf{x}_t, \mathbf{y}_t \rangle \in [-1,1]$. This setting captures several important problems, including extensive-form games, resource allocation, $m$-sets, online multitask learning, and shortest-path problems on directed acyclic graphs (DAGs). It is well known that Hedge achieves a regret of $\mathcal{O}\big(\sqrt{T \log |\mathcal{X}|}\big)$ after $T$ rounds of interaction. In this paper, we ask whether Hedge is optimal across all combinatorial settings. To that end, we show that for any $\mathcal{X} \subseteq$ {$0,1$}$^d$, Hedge is near-optimal—specifically, up to a $\sqrt{\log d}$ factor—by establishing a lower bound of $\Omega\big(\sqrt{T \log(|\mathcal{X}|)/\log d}\big)$ that holds for any algorithm. We then identify a natural class of combinatorial sets—namely, $m$-sets with $\log d \leq m \leq \sqrt{d}$—for which this lower bound is tight, and for which Hedge is provably suboptimal by a factor of exactly $\sqrt{\log d}$. At the same time, we show that Hedge is optimal for online multitask learning, a generalization of the classical $K$-experts problem. Finally, we leverage the near-optimality of Hedge to establish the existence of a near-optimal regularizer for online shortest-path problems in DAGs—a setting that subsumes a broad range of combinatorial domains. Specifically, we show that the classical Online Mirror Descent (OMD) algorithm, when instantiated with the dilated entropy regularizer, is iterate-equivalent to Hedge, and therefore inherits its near-optimal regret guarantees for DAGs.

Uniform downsampling remains the de facto standard for reducing spatial resolution in vision backbones. In this work, we propose an alternative design built around a content-aware spatial grouping layer that dynamically assigns tokens to a reduced set based on image boundaries and their semantic content. Stacking our grouping layer across consecutive backbone stages results in hierarchical segmentation that arises *natively* in the feature extraction process, resulting in our coined Native Segmentation Vision Transformer. We show that a careful design of our architecture enables the emergence of strong segmentation masks solely from grouping layers, that is, without additional segmentation-specific heads. This sets the foundation for a new paradigm of *native*, backbone-level segmentation, which enables strong zero-shot results without mask supervision, as well as a minimal and efficient standalone model design for downstream segmentation tasks.

Personalized Bayesian federated learning (PBFL) handles non-i.i.d. client data and quantifies uncertainty by combining personalization with Bayesian inference. However, current PBFL methods face two main limitations: posterior inference on clients often assumes restrictive parametric forms, and server-side posterior aggregation typically relies on naive parameter averaging. To overcome these issues, we propose FedWBA, a novel PBFL method that enhances both local inference and global aggregation. At the client level, we use particle-based variational inference for nonparametric posterior representation. At the server level, we introduce particle-based Wasserstein barycenter aggregation, offering a more geometrically meaningful approach. Theoretically, we provide local and global convergence guarantees for FedWBA. Locally, we prove a KL divergence decrease lower bound per iteration for variational inference convergence. Globally, we show that the Wasserstein barycenter converges to the true parameter as the client data size increases. Empirically, experiments show that FedWBA outperforms baselines in prediction accuracy, uncertainty calibration, and convergence rate, with ablation studies confirming its robustness.

Surrogate models are widely used to approximate complex systems across science and engineering to reduce computational costs. Despite their widespread adoption, the field lacks standardisation across key stages of the modelling pipeline, including data sampling, model selection, evaluation, and downstream analysis. This fragmentation limits reproducibility and cross-domain utility – a challenge further exacerbated by the rapid proliferation of AI-driven surrogate models. We argue for the urgent need to establish a structured reporting standard, the Surrogate Model Reporting Standard (SMRS), that systematically captures essential design and evaluation choices while remaining agnostic to implementation specifics. By promoting a standardised yet flexible framework, we aim to improve the reliability of surrogate modelling, foster interdisciplinary knowledge transfer, and, as a result, accelerate scientific progress in the AI era.

Real-world multivariate time series anomalies are rare and often unlabeled. Additionally, prevailing methods rely on increasingly complex architectures tuned to benchmarks, detecting only fragments of anomalous segments and overstating performance. In this paper, we introduce OracleAD, a simple and interpretable unsupervised framework for multivariate time series anomaly detection. OracleAD encodes each variable’s past sequence into a single causal embedding to jointly predict the present time point and reconstruct the input window, effectively modeling temporal dynamics. These embeddings then undergo self-attention mechanism to project them into a shared latent space and capture spatial relationships. These relationships are not static, since they are modeled by a property that emerges from each variable's temporal dynamics. The projected embeddings are aligned to a Stable Latent Structure (SLS) representing normal-state relationships. Anomalies are identified using a dual scoring mechanism based on prediction error and deviation from the SLS, enabling fine-grained anomaly diagnosis at each time point and across individual variables. Since any noticeable SLS deviation originates from embeddings that violate the learned temporal causality of normal data, OracleAD directly pinpoints the root-cause variables at the embedding level. OracleAD achieves state-of-the-art results across multiple real-world datasets and evaluation protocols, while remaining interpretable through SLS.

Spike camera with high temporal resolution offers a new perspective on high-speed dynamic scene rendering. Most existing rendering methods rely on Neural Radiance Fields (NeRF) or 3D Gaussian Splatting (3DGS) for static scenes using a monocular spike camera. However, these methods struggle with dynamic motion, while a single camera suffers from limited spatial coverage, making it challenging to reconstruct fine details in high-speed scenes. To address these problems, we propose Spike4DGS, the first high-speed dynamic scene rendering framework with 4D Gaussian Splatting using spike camera arrays. Technically, we first build a multi-view spike camera array to validate our solution, then establish both synthetic and real-world multi-view spike-based reconstruction datasets. Then, we design a multi-view spike-based dense initialization module that obtains dense point clouds and camera poses from continuous spike streams. Finally, we propose a spike-pixel synergy constraint supervision to optimize Spike4DGS, incorporating both rendered image quality loss and dynamic spatiotemporal spike loss. The results show that our Spike4DGS outperforms state-of-the-art methods in terms of novel view rendering quality on both synthetic and real-world datasets. More details are available at https://github.com/Qinghongye/Spike4DGS.