NeurIPS 2025 论文列表

We introduce Auto-Connect, a novel approach for automatic rigging that explicitly preserves skeletal connectivity through a connectivity-preserving tokenization scheme. Unlike previous methods that predict bone positions represented as two joints or first predict points before determining connectivity, our method employs special tokens to define endpoints for each joint's children and for each hierarchical layer, effectively automating connectivity relationships. This approach significantly enhances topological accuracy by integrating connectivity information directly into the prediction framework. To further guarantee high-quality topology, we implement a topology-aware reward function that quantifies topological correctness, which is then utilized in a post-training phase through reward-guided Direct Preference Optimization. Additionally, we incorporate implicit geodesic features for latent top-$k$ bone selection, which substantially improves skinning quality. By leveraging geodesic distance information within the model's latent space, our approach intelligently determines the most influential bones for each vertex, effectively mitigating common skinning artifacts. This combination of connectivity-preserving tokenization, reward-guided fine-tuning, and geodesic-aware bone selection enables our model to consistently generate more anatomically plausible skeletal structures with superior deformation properties.

Recent advancements in generative models have enabled high-fidelity text-to-image generation. However, open-source image-editing models still lag behind their proprietary counterparts, primarily due to limited high-quality data and insufficient benchmarks. To overcome these limitations, we introduce **ImgEdit**, a large-scale, high-quality image-editing dataset comprising one million carefully curated edit pairs, which contain both novel and complex single-turn edits, as well as challenging multi-turn tasks. To ensure the data quality, we employ a multi-stage pipeline that integrates a cutting-edge vision-language model, a detection model, a segmentation model, alongside task-specific in-painting procedures and strict post-processing. ImgEdit surpasses existing datasets in both task novelty and data quality. Using ImgEdit, we train **ImgEdit-E1**, an editing model using Vision Language Model to process the reference image and editing prompt, which outperforms existing open-source models on multiple tasks, highlighting the value of ImgEdit and model design. For comprehensive evaluation, we introduce **ImgEdit-Bench**, a benchmark designed to evaluate image editing performance in terms of instruction adherence, editing quality, and detail preservation. It includes a basic testsuite, a challenging single-turn suite, and a dedicated multi-turn suite. We evaluate both open-source and proprietary models, as well as ImgEdit-E1, providing deep analysis and actionable insights into the current behavior of image-editing models.

Generalized Category Discovery (GCD) aims to leverage labeled samples from known categories to cluster unlabeled data that may include both known and unknown categories. While existing methods have achieved impressive results under standard conditions, their performance often deteriorates in the presence of distribution shifts. In this paper, we explore a more realistic task: Domain-Shifted Generalized Category Discovery (DS\_GCD), where the unlabeled data includes not only unknown categories but also samples from unknown domains. To tackle this challenge, we propose a \textbf{\underline{F}}requency-guided Gene\textbf{\underline{r}}alized Cat\textbf{\underline{e}}gory Discov\textbf{\underline{e}}ry framework (FREE) that enhances the model's ability to discover categories under distributional shift by leveraging frequency-domain information. Specifically, we first propose a frequency-based domain separation strategy that partitions samples into known and unknown domains by measuring their amplitude differences. We then propose two types of frequency-domain perturbation strategies: a cross-domain strategy, which adapts to new distributions by exchanging amplitude components across domains, and an intra-domain strategy, which enhances robustness to intra-domain variations within the unknown domain. Furthermore, we extend the self-supervised contrastive objective and semantic clustering loss to better guide the training process. Finally, we introduce a clustering-difficulty-aware resampling technique to adaptively focus on harder-to-cluster categories, further enhancing model performance. Extensive experiments demonstrate that our method effectively mitigates the impact of distributional shifts across various benchmark datasets and achieves superior performance in discovering both known and unknown categories.

Ensemble-based black-box transfer attacks optimize adversarial examples on a set of surrogate models, claiming to reach high success rates by querying the (unknown) target model only a few times. In this work, we show that prior evaluations are systematically biased, as such methods are tested only under overly optimistic scenarios, without considering (i) how the choice of surrogate models influences transferability, (ii) how they perform against robust target models, and (iii) whether querying the target to refine the attack is really required. To address these gaps, we introduce TransferBench, a framework for evaluating ensemble-based black-box transfer attacks under more realistic and challenging scenarios than prior work. Our framework considers 17 distinct settings on CIFAR-10 and ImageNet, including diverse surrogate-target combinations, robust targets, and comparisons to baseline methods that do not use any query-based refinement mechanism. Our findings reveal that existing methods fail to generalize to more challenging scenarios, and that query-based refinement offers little to no benefit, contradicting prior claims. These results highlight that building reliable and query-efficient black-box transfer attacks remains an open challenge. We release our benchmark and evaluation code at: https://github.com/pralab/transfer-bench.

Capturing the interactions between entities in a structured way plays a central role in world models that flexibly adapt to changes in the environment. Recent works motivate the benefits of models that explicitly represent the structure of interactions and formulate the problem as discovering local causal structures. In this work, we demonstrate that reliably capturing these relationships in complex settings remains challenging. To remedy this shortcoming, we postulate that sparsity is a critical ingredient for the discovery of such local structures. To this end we present the SPARse TrANsformer World model (SPARTAN), a Transformer-based world model that learns context-dependent interaction structures between entities in a scene. By applying sparsity regularisation on the attention patterns between object-factored tokens, SPARTAN learns sparse, context-dependent interaction graphs that accurately predict future object states. We further extend our model to adapt to sparse interventions with unknown targets on the dynamics of the environment. This results in a highly interpretable world model that can efficiently adapt to changes. Empirically, we evaluate SPARTAN against the current state-of-the-art in object-centric world models on observation-based environments and demonstrate that our model can learn local causal graphs that accurately reflects the underlying interactions between objects and achieve significantly improved few-shot adaptation to dynamics changes as well as robustness against distractors.

Multimodal large language models (MLLMs) have achieved strong performance on vision-language tasks but still struggle with fine-grained visual differences, leading to hallucinations or missed semantic shifts. We attribute this to limitations in both training data and learning objectives. To address these issues, we propose a controlled data generation pipeline that produces minimally edited image pairs with semantically aligned captions. Using this pipeline, we construct the Micro Edit Dataset (MED), containing over 50K image-text pairs spanning 11 fine-grained edit categories, including attribute, count, position, and object presence changes. Building on MED, we introduce a supervised fine-tuning (SFT) framework with a feature-level consistency loss that promotes stable visual embeddings under small edits. We evaluate our approach on the Micro Edit Detection benchmark, which includes carefully balanced evaluation pairs designed to test sensitivity to subtle visual variations across the same edit categories. Our method improves difference detection accuracy and reduces hallucinations compared to strong baselines, including GPT-4o. Moreover, it yields consistent gains on standard vision-language tasks such as image captioning and visual question answering. These results demonstrate the effectiveness of combining targeted data and alignment objectives for enhancing fine-grained visual reasoning in MLLMs. Code and datasets are publicly released at https://github.com/Relaxed-System-Lab/hallu_med.

Large Language Models (LLMs) enable a new form of digital experimentation where treatments combine human and model-generated content in increasingly sophisticated ways. The main methodological challenge in this setting is representing these high-dimensional treatments without losing their semantic meaning or rendering analysis intractable. Here we address this problem by focusing on learning low-dimensional representations that capture the underlying structure of such treatments. These representations enable downstream applications such as guiding generative models to produce meaningful treatment variants and facilitating adaptive assignment in online experiments. We propose double kernel representation learning, which models the causal effect through the inner product of kernel-based representations of treatments and user covariates. We develop an alternating-minimization algorithm that learns these representations efficiently from data and provide convergence guarantees under a low-rank factor model. As an application of this framework, we introduce an adaptive design strategy for online experimentation and demonstrate the method's effectiveness through numerical experiments.

Hitting times provide a fundamental measure of distance in random processes, quantifying the expected number of steps for a random walk starting at node $u$ to reach node $v$. They have broad applications across domains such as network centrality analysis, ranking and recommendation systems, and epidemiology. In this work, we develop local algorithms for estimating hitting times between a pair of vertices $u,v$ without accessing the full graph, overcoming scalability issues of prior global methods. Our first algorithm uses the key insight that hitting time computations can be truncated at the meeting time of two independent random walks from $u$ and $v$. This leads to an efficient estimator analyzed via the Kronecker product graph and Markov Chain Chernoff bounds. We also present an algorithm extending the work of Peng et al. [2021] that introduces a novel adaptation of the spectral cutoff technique to account for the asymmetry of hitting times. This adaptation captures the directionality of the underlying random walk and requires non-trivial modifications to ensure accuracy and efficiency. In addition to the algorithmic upper bounds, we also provide tight asymptotic lower bounds. Finally, we reveal a connection between hitting time estimation and distribution testing, and we validate our algorithms using experiments on both real and synthetic data.

Contrastive learning has proven to be highly efficient and adaptable in shaping representation spaces across diverse modalities by pulling similar samples together and pushing dissimilar ones apart. However, two key limitations persist: (1) Without explicit regulation of the embedding distribution, semantically related instances can inadvertently be pushed apart unless complementary signals guide pair selection, and (2) excessive reliance on large in-batch negatives and tailored augmentations hinders generalization. To address these limitations, we propose Variational Supervised Contrastive Learning (VarCon), which reformulates supervised contrastive learning as variational inference over latent class variables and maximizes a posterior-weighted evidence lower bound (ELBO) that replaces exhaustive pair-wise comparisons for efficient class-aware matching and grants fine-grained control over intra-class dispersion in the embedding space. Trained exclusively on image data, our experiments on CIFAR-10, CIFAR-100, ImageNet-100, and ImageNet-1K show that VarCon (1) achieves state-of-the-art performance for contrastive learning frameworks, reaching 79.36% Top-1 accuracy on ImageNet-1K and 78.29% on CIFAR-100 with a ResNet-50 encoder while converging in just 200 epochs; (2) yields substantially clearer decision boundaries and semantic organization in the embedding space, as evidenced by KNN classification, hierarchical clustering results, and transfer-learning assessments; and (3) demonstrates superior performance in few-shot learning than supervised baseline and superior robustness across various augmentation strategies.

Polymers are large macromolecules composed of repeating structural units known as monomers and are widely applied in fields such as energy storage, construction, medicine, and aerospace. However, existing graph neural network methods, though effective for small molecules, only model the single unit of polymers and fail to produce consistent vector representations for the true polymer structure with varying numbers of units. To address this challenge, we introduce Graph Repetition Invariance (GRIN), a novel method to learn polymer representations that are invariant to the number of repeating units in their graph representations. GRIN integrates a graph-based maximum spanning tree alignment with repeat-unit augmentation to ensure structural consistency. We provide theoretical guarantees for repetition‐invariance from both model and data perspectives, demonstrating that three repeating units are the minimal augmentation required for optimal invariant representation learning. GRIN outperforms state-of-the-art baselines on both homopolymer and copolymer benchmarks, learning stable, repetition-invariant representations that generalize effectively to polymer chains of unseen sizes.

Augmented Large Language Models (LLMs) enhance standalone LLMs by integrating external data sources through API calls. In interactive applications, efficient scheduling is crucial for maintaining low request completion times, directly impacting user engagement. However, these augmentations introduce new scheduling challenges: the size of augmented requests (in tokens) no longer correlates proportionally with execution time, making traditional size-based scheduling algorithms like Shortest Job First less effective. Additionally, requests may require different handling during API calls, which must be incorporated into scheduling. This paper presents MARS, a novel inference framework that optimizes augmented LLM latency by explicitly incorporating system- and application-level considerations into scheduling. MARS introduces a predictive, memory-aware scheduling approach that integrates API handling and request prioritization to minimize completion time. We implement MARS on top of vLLM and evaluate its performance against baseline LLM inference systems, demonstrating improvements in end-to-end latency by 27%-85% and reductions in TTFT by 4%-96% compared to the existing augmented-LLM system, with even greater gains over vLLM. Our implementation is available online.

Inspired by the success of large language models, there is a trend toward developing graph foundation models to conduct diverse downstream tasks in various domains. However, current models often require extra fine-tuning to apply their learned structural and semantic representations to new graphs, which limits their versatility. Recent breakthroughs in zero-shot inductive reasoning on knowledge graphs (KGs), offer us a new perspective on extending KG reasoning to general graph applications. In this paper, we introduce SCR, a unified graph reasoning framework designed to train on knowledge graphs and effectively generalize across a wide range of graph tasks and domains. We begin by designing the task-specific KG structures to establish a unified topology for different task formats. Then we propose semantic-conditioned message passing, a novel mechanism addressing the inherent semantic isolation in traditional KG reasoning, by jointly modeling structural and semantic invariance patterns in graph representations. Evaluated on 38 diverse datasets spanning node-, link-, and graph-level tasks, SCR achieves substantial performance gains over existing foundation models and supervised baselines, demonstrating its remarkable efficacy and adaptability.

Graphical models have been widely used as parsimonious encoders of assumptions of the underlying causal system and provide a basis for causal inferences. Models encoding stronger constraints tend to require higher expressive power, which are also harder, and sometimes impossible to empirically falsify. In this paper, we introduce two new collections of distributions that include counterfactual quan- tities which are experimentally accessible under counterfactual randomizations. Correspondingly, we define two new classes of graphical models for encoding empirically testable constraints in these distributions. We further present a sound and complete calculus, based on counterfactual calculus, which licenses inferences in these two new models with rules that are within the empirically falsifiable bound- ary. Finally, we formulate a hierarchy over several graphical models based on the constraints they encode and study the fundamental trade-off between the expressive power and empirical falsifiability of different models across the hierarchy.

Graph few-shot learning has attracted increasing attention due to its ability to rapidly adapt models to new tasks with only limited labeled nodes. Despite the remarkable progress made by existing graph few-shot learning methods, several key limitations remain. First, most current approaches rely on predefined and unified graph filters (e.g., low-pass or high-pass filters) to globally enhance or suppress node frequency signals. Such fixed spectral operations fail to account for the heterogeneity of local topological structures inherent in real-world graphs. Moreover, these methods often assume that the support and query sets are drawn from the same distribution. However, under few-shot conditions, the limited labeled data in the support set may not sufficiently capture the complex distribution of the query set, leading to suboptimal generalization. To address these challenges, we propose GRACE, a novel Graph few-shot leaRning framework that integrates Adaptive spectrum experts with Cross-sEt distribution calibration techniques. Theoretically, the proposed approach enhances model generalization by adapting to both local structural variations and cross-set distribution calibration. Empirically, GRACE consistently outperforms state-of-the-art baselines across a wide range of experimental settings. Our code can be found here.

Distinguishing cause and effect from bivariate observational data is a foundational problem in many disciplines, but challenging without additional assumptions. Additive noise models (ANMs) are widely used to enable sample-efficient bivariate causal discovery. However, conventional ANM-based methods fail when unobserved mediators corrupt the causal relationship between variables. This paper makes three key contributions: first, we rigorously characterize why standard ANM approaches break down in the presence of unmeasured mediators. Second, we demonstrate that prior solutions for hidden mediation are brittle in finite sample settings, limiting their practical utility. To address these gaps, we propose Bivariate Denoising Diffusion (BiDD) for causal discovery, a method designed to handle latent noise introduced by unmeasured mediators. Unlike prior methods that infer directionality through mean squared error loss comparisons, our approach introduces a novel independence test statistic: during the noising and denoising processes for each variable, we condition on the other variable as input and evaluate the independence of the predicted noise relative to this input. We prove asymptotic consistency of BiDD under the ANM, and conjecture that it performs well under hidden mediation. Experiments on synthetic and real-world data demonstrate consistent performance, outperforming existing methods in mediator-corrupted settings while maintaining strong performance in mediator-free settings.

3D visual illusion is a perceptual phenomenon where a two-dimensional plane is manipulated to simulate three-dimensional spatial relationships, making a flat artwork or object look three-dimensional in the human visual system. In this paper, we reveal that the machine visual system is also seriously fooled by 3D visual illusions, including monocular and binocular depth estimation. In order to explore and analyze the impact of 3D visual illusion on depth estimation, we collect a large dataset containing almost 3k scenes and 200k images to train and evaluate SOTA monocular and binocular depth estimation methods. We also propose a 3D visual illusion depth estimation framework that uses common sense from the vision language model to adaptively fuse depth from binocular disparity and monocular depth. Experiments show that SOTA monocular, binocular, and multi-view depth estimation approaches are all fooled by various 3D visual illusions, while our method achieves SOTA performance.

Foundation models are increasingly becoming better autonomous programmers, raising the prospect that they could also automate dangerous offensive cyber‑operations. Current frontier model audits probe the cybersecurity risks of such agents, but most fail to account for the degrees of freedom available to adversaries in the real world. In particular, with strong verifiers and financial incentives, agents for offensive cybersecurity are amenable to iterative improvement by would-be adversaries. We argue that assessments should take into account an expanded threat model in the context of cybersecurity, emphasizing the varying degrees of freedom that an adversary may possess in _stateful_ and _non-stateful_ environments within a fixed compute budget. We show that even with a relatively small compute budget (8 H100 GPU Hours in our study), adversaries can improve an agent's cybersecurity capability on InterCode CTF by more than 40\% relative to the baseline---without any external assistance. These results highlight the need to evaluate agents' cybersecurity risk in a dynamic manner, painting a more representative picture of risk.

Label Distribution Learning (LDL) has emerged as a powerful framework for estimating complete conditional label distributions, providing crucial reliability for risk-sensitive decision-making tasks. While existing LDL algorithms exhibit competent performance under the conventional LDL performance evaluation methods, two key limitations remain: (1) current algorithms systematically underperform on the samples with low-entropy label distributions, which can be particularly valuable for decision making, and (2) the conventional performance evaluation methods are inherently biased due to the numerical imbalance of samples. In this paper, through empirical and theoretical analyses, we find that excessive cohesion between anchor vectors contributes significantly to the observed entropy bias phenomenon in LDL algorithms. Accordingly, we propose an inter-anchor angular regularization term that mitigates cohesion among anchor vectors by penalizing over-small angles. Besides, to alleviate the numerical imbalance of high-entropy samples in test set, we propose an entropy-calibrated aggregation strategy that obtains the overall model performance by evaluating performance on the low-entropy and high-entropy subsets of the overall test set separately. Finally, we conduct extensive experiments on various real-world datasets to demonstrate the effectiveness of our proposal.

We present MetaFind, a scene-aware multi-modal retrieval framework designed to enhance scene generation in the metaverse by retrieving 3D assets from large-scale repositories. MetaFind addresses two core challenges: (i) inconsistent asset retrieval that overlooks spatial, semantic, and stylistic constraints, and (ii) the absence of a standardized retrieval paradigm specifically tailored for 3D asset retrieval, as existing approaches predominantly rely on general-purpose 3D shape representation models. Our key innovation is a retrieval mechanism that enhances both spatial reasoning and style consistency by jointly modeling object-level features (including appearance) and scene-level layout structures. Methodologically, MetaFind introduces a plug-and-play layout encoder that captures both spatial relationships and object appearance features, ensuring retrieved 3D assets are contextually and stylistically coherent with the existing scene. The framework supports iterative scene construction by continuously adapting retrieval results to current scene updates. Empirical evaluations demonstrate the improved spatial and stylistic consistency of MetaFind in various retrieval tasks compared to baseline methods.