NeurIPS 2025 论文列表

Human-Object Interaction Detection (HOI-DET) aims to localize human-object pairs and identify their interactive relationships. To aggregate contextual cues, existing methods typically propagate information across all detected entities via self‑attention mechanisms, or establish message passing between humans and objects with bipartite graphs. However, they primarily focus on pairwise relationships, overlooking that interactions in real-world scenarios often emerge from collective behaviors ($\textit{i}.\textit{e}.$, multiple humans and objects engaging in joint activities). In light of this, we revisit relation modeling from a $\textit{group}$ view and propose GroupHOI, a framework that propagates contextual information in terms of $\textit{geometric proximity}$ and $\textit{semantic similarity}$. To exploit the geometric proximity, humans and objects are grouped into distinct clusters using a learnable proximity estimator based on spatial features derived from bounding boxes. In each group, a soft correspondence is computed via self-attention to aggregate and dispatch contextual cues. To incorporate the semantic similarity, we enhance the vanilla transformer-based interaction decoder with local contextual cues from HO-pair features. Extensive experiments on HICO-DET and V-COCO benchmarks demonstrate the superiority of GroupHOI over the state-of-the-art methods. It also exhibits leading performance on the more challenging Nonverbal Interaction Detection (NVI-DET) task, which involves varied forms of higher-order interactions within groups.

Remote sensing is critical for disaster monitoring, yet existing datasets lack temporal image pairs and detailed textual annotations. While single-snapshot imagery dominates current resources, it fails to capture dynamic disaster impacts over time. To address this gap, we introduce the Remote Sensing Change Caption (RSCC) dataset, a large-scale benchmark comprising 62,351 pre-/post-disaster image pairs (spanning earthquakes, floods, wildfires, and more) paired with rich, human-like change captions. By bridging the temporal and semantic divide in remote sensing data, RSCC enables robust training and evaluation of vision-language models for disaster-aware bi-temporal understanding. Our results highlight RSCC’s ability to facilitate detailed disaster-related analysis, paving the way for more accurate, interpretable, and scalable vision-language applications in remote sensing. Code and dataset are available at https://github.com/Bili-Sakura/RSCC.

Diffusion models (DMs) have emerged as powerful tools for modeling complex data distributions and generating realistic new samples. Over the years, advanced architectures and sampling methods have been developed to make these models practically usable. However, certain synthesis process decisions still rely on heuristics without a solid theoretical foundation. In our work, we offer a novel analysis of the DM's inference process, introducing a comprehensive frequency response perspective. Specifically, by relying on Gaussianity assumption, we present the inference process as a closed-form spectral transfer function, capturing how the generated signal evolves in response to the initial noise. We demonstrate how the proposed analysis can be leveraged to design a noise schedule that aligns effectively with the characteristics of the data. The spectral perspective also provides insights into the underlying dynamics and sheds light on the relationship between spectral properties and noise schedule structure. Our results lead to scheduling curves that are dependent on the spectral content of the data, offering a theoretical justification for some of the heuristics taken by practitioners.

Graph Neural Networks \texttt{(GNNs)} excel at jointly modeling node features and topology, yet their \emph{black-box} nature limits their adoption in real-world applications where interpretability is desired. Inspired by the success of interpretable Neural Additive Models \texttt{(NAM)} for tabular data, Graph Neural Additive Network \texttt{(GNAN)} extends the additive modeling approach to graph data to overcome limitations of GNNs. While being interpretable, \texttt{GNAN} representation learning overlooks the importance of local aggregation and more importantly suffers from parameter complexity. To mitigate the above challenges, we introduce Graph Neural Additive Model with Random Fourier Features (\texttt{G-NAMRFF}), a lightweight, self‐interpretable graph additive architecture. \texttt{G-NAMRFF} represents each node embedding as the sum of feature‐wise contributions where contributions are modeled via a \emph{Gaussian process} \texttt{(GP)} with a graph- and feature-aware kernel. Specifically, we construct a kernel using Radial Basis Function (\texttt{RBF}) with graph structure induced by Laplacian and learnable Finite Impulse Response (\texttt{FIR}) filter. We approximate the kernel using Random Fourier Features (\texttt{RFFs}) which transforms the \texttt{GP} prior to a Bayesian formulation, which are subsequently learnt using a single layer neural network with size equal to number of \texttt{RFF} features. \texttt{G-NAMRFF} is light weight with $168\times$ fewer parameters compared to \texttt{GNAN}. Despite its compact size, \texttt{G-NAMRFF} matches or outperforms state-of-the-art \texttt{GNNs} and \texttt{GNAN} on node and graph classification tasks, delivering real-time interpretability without sacrificing accuracy.

Learning a compact representation of history is critical for planning and generalization in partially observable environments. While meta-reinforcement learning (RL) agents can attain near Bayes-optimal policies, they often fail to learn the compact, interpretable Bayes-optimal belief states. This representational inefficiency potentially limits the agent's adaptability and generalization capacity. Inspired by predictive coding in neuroscience---which suggests that the brain predicts sensory inputs as a neural implementation of Bayesian inference---and by auxiliary predictive objectives in deep RL, we investigate whether integrating self-supervised predictive coding modules into meta-RL can facilitate learning of Bayes-optimal representations. Through state machine simulation, we show that meta-RL with predictive modules consistently generates more interpretable representations that better approximate Bayes-optimal belief states compared to conventional meta-RL across a wide variety of tasks, even when both achieve optimal policies. In challenging tasks requiring active information seeking, only meta-RL with predictive modules successfully learns optimal representations and policies, whereas conventional meta-RL struggles with inadequate representation learning. Finally, we demonstrate that better representation learning leads to improved generalization. Our results strongly suggest the role of predictive learning as a guiding principle for effective representation learning in agents navigating partial observability.

Dense 3D scene reconstruction from an ordered sequence or unordered image collections is a critical step when bringing research in computer vision into practical scenarios. Following the paradigm introduced by DUSt3R, which unifies an image pair densely into a shared coordinate system, subsequent methods maintain an implicit memory to achieve dense 3D reconstruction from more images. However, such implicit memory is limited in capacity and may suffer from information loss of earlier frames. We propose Point3R, an online framework targeting dense streaming 3D reconstruction. To be specific, we maintain an explicit spatial pointer memory directly associated with the 3D structure of the current scene. Each pointer in this memory is assigned a specific 3D position and aggregates scene information nearby in the global coordinate system into a changing spatial feature. Information extracted from the latest frame interacts explicitly with this pointer memory, enabling dense integration of the current observation into the global coordinate system. We design a 3D hierarchical position embedding to promote this interaction and design a simple yet effective fusion mechanism to ensure that our pointer memory is uniform and efficient. Our method achieves competitive or state-of-the-art performance on various tasks with low training costs. Code: https://github.com/YkiWu/Point3R.

Real-world objects are composed of distinctive, object-specific parts. Identifying these parts is key to performing fine-grained, compositional reasoning—yet, large multimodal models (LMMs) struggle to perform this seemingly straightforward task. In this work, we introduce PARTONOMY, an LMM benchmark designed for pixel-level part grounding. We construct PARTONOMY from existing part datasets and our own rigorously annotated set of images, encompassing 862 parts and 5346 objects for evaluation. Unlike existing datasets that simply ask models to identify generic parts, PARTONOMY utilizes highly technical concepts and challenges models to compare objects’ parts, consider part-whole relationships, and justify textual predictions with visual segmentations. Our experiments demonstrate significant limitations in state-of-the-art LMMs (e.g., LISA-13B achieves only 5.9% gIoU), highlighting a critical gap in their part grounding abilities. We note that existing segmentation-enabled LMMs (segmenting LMMs) have two key architectural shortcomings: they use special [SEG] tokens not seen during pretraining which induce distribution shift, and they discard predicted segmentations instead of using past predictions to guide future ones. To address these deficiencies, we train several part-centric LMMs and propose PLUM, a novel segmenting LMM that utilizes span tagging instead of segmentation tokens and that conditions on prior predictions in a feedback loop. We find that pretrained PLUM dominates existing segmenting LMMs on reasoning segmentation, VQA, and visual hallucination benchmarks. In addition, PLUM finetuned on our proposed Explanatory Part Segmentation task is competitive with segmenting LMMs trained on significantly more segmentation data. Our work opens up new avenues towards enabling fine-grained, grounded visual understanding in LMMs.

Recent advances in enhancing the reasoning ability of Large Language Models (LLMs) have been remarkably successful. LLMs trained with Reinforcement Learning (RL) for reasoning demonstrate strong performance in challenging tasks such as mathematics and coding, even with relatively small model sizes. However, despite these impressive improvements in task accuracy, the assessment of creativity in LLM generations has been largely overlooked in reasoning tasks, in contrast to writing tasks. The lack of research on creativity assessment in reasoning primarily stems from two challenges: (1) the difficulty of defining the range of creativity, and (2) the necessity of human evaluation in the assessment process. To address these challenges, we propose CLAWS, a novel method that defines and classifies mathematical solutions into Typical, Creative, and Hallucinated categories without human evaluation, by leveraging attention weights across prompt sections and output. CLAWS outperforms five existing white-box detection methods—Perplexity, Logit Entropy, Window Entropy, Hidden Score, and Attention Score—on five 7–8B math RL models (DeepSeek, Qwen, Mathstral, OpenMath2, and Oreal). We validate CLAWS on 4,545 math problems collected from 181 math contests (A(J)HSME, AMC, AIME). Our code is available at https://github.com/kkt94/CLAWS.

Many modeling tasks from disparate domains can be framed the same way, computing spherical signals from geometric inputs, for example, computing the radar response of different objects or navigating through an environment. This paper introduces G2Sphere, a general method for mapping object geometries to spherical signals. G2Sphere operates entirely in Fourier space, encoding geometric structure into latent Fourier features using equivariant neural networks and outputting the Fourier coefficients of the continuous target signal, which can be evaluated at any resolution. By utilizing a hybrid GNN-spherical CNN architecture, our method achieves much higher frequency output signal than comparable equivariant GNNs and avoids hand-engineered geometry features used previously by purely spherical methods. We perform experiments on various challenging domains including radar response modeling, aerodynamic drag prediction, and policy learning for manipulation and navigation. We find that G2Sphere outperforms competitive baselines in terms of accuracy and inference time, and we demonstrate that equivariance and Fourier features lead to improved sample efficiency and generalization.The source code is available at: https://github.com/ColinKohler/geometry2sphere.

Structure-based drug design (SBDD), aiming to generate 3D molecules with high binding affinity toward target proteins, is a vital approach in novel drug discovery. Although recent generative models have shown great potential, they suffer from unstable probability dynamics and mismatch between generated molecule size and the protein pockets geometry, resulting in inconsistent quality and off-target effects. We propose PAFlow, a novel target-aware molecular generation model featuring prior interaction guidance and a learnable atom number predictor. PAFlow adopts the efficient flow matching framework to model the generation process and constructs a new form of conditional flow matching for discrete atom types. A protein–ligand interaction predictor is incorporated to guide the vector field toward higher-affinity regions during generation, while an atom number predictor based on protein pocket information is designed to better align generated molecule size with target geometry. Extensive experiments on the CrossDocked2020 benchmark show that PAFlow achieves a new state-of-the-art in binding affinity (up to -8.31 Avg. Vina Score), simultaneously maintains favorable molecular properties.

Large Language Models (LLMs) have shown strong potential for recommendation by framing item prediction as a token-by-token language generation task. However, existing methods treat all item tokens equally, simply pursuing likelihood maximization during both optimization and decoding. This overlooks crucial token-level differences in decisiveness—many tokens contribute little to item discrimination yet can dominate optimization or decoding. To quantify token decisiveness, we propose a novel perspective that models item generation as a decision process, measuring token decisiveness by the Information Gain (IG) each token provides in reducing uncertainty about the generated item. Our empirical analysis reveals that most tokens have low IG but often correspond to high logits, disproportionately influencing training loss and decoding, which may impair model performance. Building on these insights, we introduce an Information Gain-based Decisiveness-aware Token handling (IGD) strategy that integrates token decisiveness into both tuning and decoding. Specifically, IGD downweights low-IG tokens during tuning and rebalances decoding to emphasize tokens with high IG. In this way, IGD moves beyond pure likelihood maximization, effectively prioritizing high-decisiveness tokens. Extensive experiments on four benchmark datasets with two LLM backbones demonstrate that IGD consistently improves recommendation accuracy, achieving significant gains on widely used ranking metrics compared to strong baselines. Our codes are available at \url{https://github.com/ZJLin2oo1/IGD}.

Existing early and late fusion frameworks in multimodal learning are confronted with the fundamental challenge of modality imbalance, wherein disparities in representational capacities induce inter-modal competition during training. Current research methodologies primarily rely on modality-level contribution assessments to measure gaps in representational capabilities and enhance poorly learned modalities, overlooking the dynamic variations of modality contributions across individual samples. To address this, we propose a Causal-aware Modality valuation approach for Balanced multimodal learning (CMoB). We define a benefit function based on Shannon's theory of informational uncertainty to evaluate the changes in the importance of samples across different stages of multimodal training. Inspired by human cognitive science, we propose a causal-aware modality contribution quantification method from a causal perspective to capture fine-grained changes in modality contribution degrees within samples. In the iterative training of multimodal learning, we develop targeted modal enhancement strategies that dynamically select and optimize modalities based on real-time evaluation of their contribution variations across training samples. Our method enhances the discriminative ability of key modalities and the learning capacity of weak modalities while achieving fine-grained balance in multimodal learning. Extensive experiments on benchmark multimodal datasets and multimodal frameworks demonstrate the superiority of our CMoB approach for balanced multimodal learning.

Vision-Language Models (VLMs) exhibit impressive performance, yet the integration of powerful vision encoders has significantly broadened their attack surface, rendering them increasingly susceptible to jailbreak attacks. However, lacking well-defined attack objectives, existing jailbreak methods often struggle with gradient-based strategies prone to local optima and lacking precise directional guidance, and typically decouple visual and textual modalities, thereby limiting their effectiveness by neglecting crucial cross-modal interactions. Inspired by the Eliciting Latent Knowledge (ELK) framework, we posit that VLMs encode safety-relevant information within their internal fusion-layer representations, revealing an implicit safety decision boundary in the latent space. This motivates exploiting boundary to steer model behavior. Accordingly, we propose \textbf{JailBound}, a novel latent space jailbreak framework comprising two stages: (1) \textbf{Safety Boundary Probing}, which addresses the guidance issue by approximating decision boundary within fusion layer's latent space, thereby identifying optimal perturbation directions towards the target region; and (2) \textbf{Safety Boundary Crossing}, which overcomes the limitations of decoupled approaches by jointly optimizing adversarial perturbations across both image and text inputs. This latter stage employs an innovative mechanism to steer the model's internal state towards policy-violating outputs while maintaining cross-modal semantic consistency. Extensive experiments on six diverse VLMs demonstrate JailBound's efficacy, achieves 94.32\% white-box and 67.28\% black-box attack success averagely, which are 6.17\% and 21.13\% higher than SOTA methods, respectively. Our findings expose a overlooked safety risk in VLMs and highlight the urgent need for more robust defenses. \textcolor{red}{Warning: This paper contains potentially sensitive, harmful and offensive content.}

Non-exemplar class incremental learning (NECIL) aims to continuously assimilate new knowledge while retaining previously acquired knowledge in scenarios where prior examples are unavailable. A prevalent strategy within NECIL mitigates knowledge forgetting by freezing the feature extractor after training on the initial task. However, this freezing mechanism does not provide explicit training to differentiate between new and old classes, resulting in overlapping feature representations. To address this challenge, we propose a **C**onfusion-driven se**L**f-supervised pr**O**gressi**V**ely weighted **E**nsemble lea**R**ning (*CLOVER*) framework for NECIL. Firstly, we introduce a confusion-driven self-supervised learning approach that enhances representation extraction by guiding the model to distinguish between highly confusable classes, thereby reducing class representation overlap. Secondly, we develop a progressively weighted ensemble learning method that gradually adjusts weights to integrate diverse knowledge more effectively, further minimizing representation overlap. Finally, extensive experiments demonstrate that our proposed method achieves state-of-the-art results on the CIFAR100, TinyImageNet, and ImageNet-Subset NECIL benchmarks.

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful approach to enhancing the reasoning capabilities of Large Language Models (LLMs), yet its underlying mechanisms remain insufficiently understood. In this work, we undertake a pioneering exploration of RLVR through the novel perspective of token entropy patterns, comprehensively analyzing how different tokens influence reasoning performance. By examining token entropy patterns in Chain-of-Thought (CoT) reasoning, we observe that only a small fraction (approximately 20\%) of tokens exhibit high entropy, and these tokens semantically act as critical forks that steer the model toward diverse reasoning pathways. We further demonstrate that moderately increasing the entropy of these high-entropy tokens via decoding temperature adjustments leads to improved performance, quantitatively confirming their role as decision points in reasoning. We ultimately refine RLVR by restricting policy gradient updates to these forking tokens. Despite utilizing only 20\% of tokens, our approach achieves comparable performance to full-gradient updates on the Qwen3-8B base model. Moreover, it demonstrates remarkable improvements on the larger Qwen3-32B base model, boosting AIME'25 scores by 11.04 and AIME'24 scores by 7.71. In contrast, training exclusively on the 80\% lowest-entropy tokens leads to a marked decline in performance. These findings indicate that the efficacy of RLVR primarily arises from optimizing the high-entropy tokens that dictate key reasoning directions. Collectively, our results suggest promising avenues for optimizing RLVR algorithms by strategically leveraging the potential of these high-entropy minority tokens to further enhance the reasoning abilities of LLMs.

A crucial factor for successful human and AI interaction is the ability of language models or chatbots to follow human instructions precisely. A common feature of instructions are output constraints like ``only answer with yes or no" or ``mention the word `abracadabra' at least 3 times" that the user adds to craft a more useful answer. Even today's strongest models struggle with fulfilling such constraints. We find that most models strongly overfit on a small set of verifiable constraints from the benchmarks that test these abilities, a skill called precise instruction following, and are not able to generalize well to unseen output constraints. We introduce a new benchmark, IFBench, to evaluate precise instruction following generalization on 58 new, diverse, and challenging verifiable out-of-domain constraints. In addition, we perform an extensive analysis of how and on what data models can be trained to improve precise instruction following generalization. Specifically, we carefully design constraint verification modules and show that reinforcement learning with verifiable rewards (RLVR) significantly improves instruction following. In addition to IFBench, we release 29 additional new hand-annotated training constraints and verification functions, RLVR training prompts, and code.

Classifier-Free Guidance (CFG) is an essential component of text-to-image diffusion models, and understanding and advancing its operational mechanisms remains a central focus of research. Existing approaches stem from divergent theoretical interpretations, thereby limiting the design space and obscuring key design choices. To address this, we propose a unified perspective that reframes conditional guidance as fixed point iterations, seeking to identify a golden path where latents produce consistent outputs under both conditional and unconditional generation. We demonstrate that CFG and its variants constitute a special case of single-step short-interval iteration, which is theoretically proven to exhibit inefficiency. To this end, we introduce Foresight Guidance (FSG), which prioritizes solving longer-interval subproblems in early diffusion stages with increased iterations. Extensive experiments across diverse datasets and model architectures validate the superiority of FSG over state-of-the-art methods in both image quality and computational efficiency. Our work offers novel perspectives for conditional guidance and unlocks the potential of adaptive design.

Many machine learning applications require outputs that satisfy complex, dynamic constraints. This task is particularly challenging in Graph Neural Network models due to the variable output sizes of graph-structured data. In this paper, we introduce ProjNet, a Graph Neural Network framework which satisfies input-dependant constraints. ProjNet combines a sparse vector clipping method with the Component-Averaged Dykstra (CAD) algorithm, an iterative scheme for solving the best-approximation problem. We establish a convergence result for CAD and develop a GPU-accelerated implementation capable of handling large-scale inputs efficiently. To enable end-to-end training, we introduce a surrogate gradient for CAD that is both computationally efficient and better suited for optimization than the exact gradient. We validate ProjNet on four classes of constrained optimisation problems: linear programming, two classes of non-convex quadratic programs, and radio transmit power optimization, demonstrating its effectiveness across diverse problem settings.

Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at \url{https://github.com/blacksnail789521/Time-IMM}, and the benchmark library can be accessed at \url{https://github.com/blacksnail789521/IMM-TSF}.