NeurIPS 2025 论文列表

Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Therefore, early failure prediction during runtime is essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-of-distribution (OOD) observations detected via random network distillation in the policy’s embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score. Both failure prediction scores are calibrated using a small set of successful rollouts via conformal prediction. A failure alarm is triggered when both indicators, aggregated over short time windows, exceed their thresholds. We evaluate FIPER across five simulation and real-world environments involving diverse failure modes. Our results demonstrate that FIPER better distinguishes actual failures from benign OOD situations and predicts failures more accurately and earlier than existing methods. We thus consider this work an important step towards more interpretable and safer generative robot policies. Code, data, and videos are available at [tum-lsy.github.io/fiper_website](https://tum-lsy.github.io/fiper_website).

Recent advancements in low-light video enhancement (LLVE) have increasingly leveraged both RGB and event cameras to improve video quality under challenging conditions. However, existing approaches share two key drawbacks. First, they are tuned for steady low-light scenes, so their performance drops when illumination varies. Second, they assume every sensing modality is always available, while real systems may lose or corrupt one of them. These limitations make the methods brittle in dynamic, real-world settings. In this paper, we propose EVDiffuser, a novel framework for consistent LLVE that integrates RGB and event data through a modality-adaptive diffusion pipeline. By harnessing the powerful priors of video diffusion models, EVDiffuser enables consistent video enhancement and generalization to diverse scenarios under varying illumination, where RGB or events may even be absent. Specifically, we first design a modality-agnostic conditioning mechanism based on a diffusion pipeline by treating the two modalities as optional conditions, which is fine-tuned using augmented and integrated datasets. Furthermore, we introduce a modality-adaptive guidance rescaling that dynamically adjusts the contribution of each modality according to sensor-specific characteristics. Additionally, we establish a benchmark that accounts for varying illumination and diverse real-world scenarios, facilitating future research on consistent event-guided LLVE. Our experiments demonstrate state-of-the-art performance across challenging scenarios (i.e., varying illumination) and sensor-based settings (e.g., event-only, RGB-only), highlighting the generalization of our framework.

Existing machine-generated text (MGT) detection methods implicitly assume labels as the "golden standard". However, we reveal boundary ambiguity in MGT detection, implying that traditional training paradigms are inexact. Moreover, limitations of human cognition and the superintelligence of detectors make inexact learning widespread and inevitable. To this end, we propose an easy-to-hard enhancement framework to provide reliable supervision under such inexact conditions. Distinct from knowledge distillation, our framework employs an easy supervisor targeting relatively simple longer-text detection tasks (despite weaker capabilities), to enhance the more challenging target detector. Firstly, longer texts targeted by supervisors theoretically alleviate the impact of inexact labels, laying the foundation for reliable supervision. Secondly, by structurally incorporating the detector into the supervisor, we theoretically model the supervisor as a lower performance bound for the detector. Thus, optimizing the supervisor indirectly optimizes the detector, ultimately approximating the underlying "golden" labels. Extensive experiments across diverse practical scenarios, including cross-LLM, cross-domain, mixed text, and paraphrase attacks, demonstrate the framework's significant detection effectiveness. The code is available at: \url{https://github.com/tmlr-group/Easy2Hard}.

The rapid advancement of Large Language Models (LLMs) has stimulated interest in multi-agent collaboration for addressing complex medical tasks. However, the practical advantages of multi-agent collaboration approaches remain insufficiently understood. Existing evaluations often lack generalizability, failing to cover diverse tasks reflective of real-world clinical practice, and frequently omit rigorous comparisons against both single-LLM-based and established conventional methods. To address this critical gap, we introduce MedAgentBoard, a comprehensive benchmark for the systematic evaluation of multi-agent collaboration, single-LLM, and conventional approaches. MedAgentBoard encompasses four diverse medical task categories: (1) medical (visual) question answering, (2) lay summary generation, (3) structured Electronic Health Record (EHR) predictive modeling, and (4) clinical workflow automation, across text, medical images, and structured EHR data. Our extensive experiments reveal a nuanced landscape: while multi-agent collaboration demonstrates benefits in specific scenarios, such as enhancing task completeness in clinical workflow automation, it does not consistently outperform advanced single LLMs (e.g., in textual medical QA) or, critically, specialized conventional methods that generally maintain better performance in tasks like medical VQA and EHR-based prediction. MedAgentBoard offers a vital resource and actionable insights, emphasizing the necessity of a task-specific, evidence-based approach to selecting and developing AI solutions in medicine. It underscores that the inherent complexity and overhead of multi-agent collaboration must be carefully weighed against tangible performance gains. All code, datasets, detailed prompts, and experimental results are open-sourced at [this link](https://medagentboard.netlify.app/).

Unsupervised skill discovery in reinforcement learning (RL) aims to learn diverse behaviors without relying on external rewards. However, current methods often overlook the periodic nature of learned skills, focusing instead on increasing the mutual dependency between states and skills or maximizing the distance traveled in latent space. Considering that many robotic tasks—particularly those involving locomotion—require periodic behaviors across varying timescales, the ability to discover diverse periodic skills is essential. Motivated by this, we propose Periodic Skill Discovery (PSD), a framework that discovers periodic behaviors in an unsupervised manner. The key idea of PSD is to train an encoder that maps states to a circular latent space, thereby naturally encoding periodicity in the latent representation. By capturing temporal distance, PSD can effectively learn skills with diverse periods in complex robotic tasks, even with pixel-based observations. We further show that these learned skills achieve high performance on downstream tasks such as hurdling. Moreover, integrating PSD with an existing skill discovery method offers more diverse behaviors, thus broadening the agent’s repertoire. Our code and demos are available at https://jonghaepark.github.io/psd

Digitizing the physical world into accurate simulation‑ready virtual environments offers significant opportunities in a variety of fields such as augmented and virtual reality, gaming, and robotics. However, current 3D reconstruction and scene-understanding methods commonly fall short in one or more critical aspects, such as geometry completeness, object interactivity, physical plausibility, photorealistic rendering, or realistic physical properties for reliable dynamic simulation. To address these limitations, we introduce HoloScene, a novel interactive 3D reconstruction framework that simultaneously achieves these requirements. HoloScene leverages a comprehensive interactive scene-graph representation, encoding object geometry, appearance, and physical properties alongside hierarchical and inter-object relationships. Reconstruction is formulated as an energy-based optimization problem, integrating observational data, physical constraints, and generative priors into a unified, coherent objective. Optimization is efficiently performed via a hybrid approach combining sampling-based exploration with gradient-based refinement. The resulting digital twins exhibit complete and precise geometry, physical stability, and realistic rendering from novel viewpoints. Evaluations conducted on multiple benchmark datasets demonstrate superior performance, while practical use-cases in interactive gaming and real-time digital-twin manipulation illustrate HoloScene's broad applicability and effectiveness.

What is the shortest path between two data points lying in a high-dimensional space? While the answer is trivial in Euclidean geometry, it becomes significantly more complex when the data lies on a curved manifold—requiring a Riemannian metric to describe the space's local curvature. Estimating such a metric, however, remains a major challenge in high dimensions. In this work, we propose a method for deriving Riemannian metrics directly from pretrained Energy-Based Models (EBMs)—a class of generative models that assign low energy to high-density regions. These metrics define spatially varying distances, enabling the computation of geodesics—shortest paths that follow the data manifold’s intrinsic geometry. We introduce two novel metrics derived from EBMs and show that they produce geodesics that remain closer to the data manifold and exhibit lower curvature distortion, as measured by alignment with ground-truth trajectories. We evaluate our approach on increasingly complex datasets: synthetic datasets with known data density, rotated character images with interpretable geometry, and high-resolution natural images embedded in a pretrained VAE latent space. Our results show that EBM-derived metrics consistently outperform established baselines, especially in high-dimensional settings. Our work is the first to derive Riemannian metrics from EBMs, enabling data-aware geodesics and unlocking scalable, geometry-driven learning for generative modeling and simulation.

The efficiency of Bayesian optimization (BO) relies heavily on the choice of the Gaussian process (GP) kernel, which plays a central role in balancing exploration and exploitation under limited evaluation budgets. Traditional BO methods often rely on fixed or heuristic kernel selection strategies, which can result in slow convergence or suboptimal solutions when the chosen kernel is poorly suited to the underlying objective function. To address this limitation, we propose a freshly-baked Context-Aware Kernel Evolution (CAKE) to enhance BO with large language models (LLMs). Concretely, CAKE leverages LLMs as the crossover and mutation operators to adaptively generate and refine GP kernels based on the observed data throughout the optimization process. To maximize the power of CAKE, we further propose BIC-Acquisition Kernel Ranking (BAKER) to select the most effective kernel through balancing the model fit measured by the Bayesian information criterion (BIC) with the expected improvement at each iteration of BO. Extensive experiments demonstrate that our fresh CAKE-based BO method consistently outperforms established baselines across a range of real-world tasks, including hyperparameter optimization, controller tuning, and photonic chip design. Our code is publicly available at https://github.com/richardcsuwandi/cake.

The whole is greater than the sum of its parts, even in 3D-text contrastive learning. We introduce SceneForge, a novel framework that enhances contrastive alignment between 3D point clouds and text through structured multi-object scene compositions. SceneForge leverages individual 3D shapes to construct multi-object scenes with explicit spatial relations, pairing them with coherent multi-object descriptions refined by a large language model. By augmenting contrastive training with these structured, compositional samples, SceneForge effectively addresses the scarcity of large-scale 3D-text datasets, significantly enriching data complexity and diversity. We systematically investigate critical design elements, such as the optimal number of objects per scene, the proportion of compositional samples in training batches, and scene construction strategies. Extensive experiments demonstrate that SceneForge delivers substantial performance gains across multiple tasks, including zero-shot classification on ModelNet, ScanObjNN, Objaverse-LVIS, and ScanNet, as well as few-shot part segmentation on ShapeNetPart. SceneForge’s compositional augmentations are model-agnostic, consistently improving performance across multiple encoder architectures. Moreover, SceneForge improves 3D visual question answering on ScanQA, generalizes robustly to retrieval scenarios with increasing scene complexity, and showcases spatial reasoning capabilities by adapting spatial configurations to align precisely with textual instructions.

Link sign prediction in signed bipartite graphs, which are extensively utilized across diverse domains such as social networks and recommendation systems, has recently emerged as a pivotal challenge. However, significant space and time complexities associated with the scalability of bipartite graphs pose substantial challenges, particularly in large-scale environments. To address these issues, this paper introduces the SignFlow Bipartite Subgraph Network (SBSN), balancing sublinear training memory growth through a heuristic subgraph extraction method integrated with a novel message passing module, with optimal inference efficiency achieved via the node feature distillation module. Our subgraph sampling approach reduces the graph size by focusing on neighborhoods around target links and employs an optimized directed message passing mechanism to aggregate critical structural patterns. This mechanism allows SBSN to efficiently learn rich local structural patterns essential for accurate sign prediction. Furthermore, to overcome the inefficiency of subgraph sampling-based models during inference, SBSN incorporates a node feature distillation module after the first training stage. This module distills subgraph features into node features, enabling fast inference while retaining the rich structural information of subgraphs. Experiments reveal that SBSN shows superior performance in both medium- and large-scale datasets, efficiently managing memory and computational resources, making it a scalable solution for extensive applications.

Class imbalance in graph data presents a significant challenge for effective node classification, particularly in semi-supervised scenarios. In this work, we formally introduce the concept of geometric imbalance, which captures how message passing on class-imbalanced graphs leads to geometric ambiguity among minority-class nodes in the riemannian manifold embedding space. We provide a rigorous theoretical analysis of geometric imbalance on the riemannian manifold and propose a unified framework that explicitly mitigates it through pseudo-label alignment, node reordering, and ambiguity filtering. Extensive experiments on diverse benchmarks show that our approach consistently outperforms existing methods, especially under severe class imbalance. Our findings offer new theoretical insights and practical tools for robust semi-supervised node classification.

This work presents the first theoretically justified simultaneous inference framework for off-policy evaluation (OPE). In contrast to existing methods that focus on point estimates or pointwise confidence intervals (CIs), the new framework quantifies global uncertainty across an infinite or continuous initial state space, offering valid inference over the entire state space. Our method leverages sieve-based Q-function estimation and (high-dimensional) Gaussian approximation techniques over convex regions, which further motivates a new multiplier bootstrap algorithm for constructing asymptotically correct simultaneous confidence regions (SCRs). The widths of the SCRs exceed those of the pointwise CIs by only a logarithmic factor, indicating that our procedure is nearly optimal in terms of efficiency. The effectiveness of the proposed approach is demonstrated through simulations and analysis of the OhioT1DM dataset.

In multimodal large language models (MLLMs), the length of input visual tokens is often significantly greater than that of their textual counterparts, leading to a high inference cost. Many works aim to address this issue by removing redundant visual tokens. However, current approaches either rely on attention-based pruning, which retains numerous duplicate tokens, or use similarity-based pruning, overlooking the instruction relevance, consequently causing suboptimal performance. In this paper, we go beyond attention or similarity by proposing a novel visual token pruning method named **CDPruner**, which maximizes the conditional diversity of retained tokens. We first define the conditional similarity between visual tokens conditioned on the instruction, and then reformulate the token pruning problem with determinantal point process (DPP) to maximize the conditional diversity of the selected subset. The proposed CDPruner is training-free and model-agnostic, allowing easy application to various MLLMs. Extensive experiments across diverse MLLMs show that CDPruner establishes new state-of-the-art on various vision-language benchmarks. By maximizing conditional diversity through DPP, the selected subset better represents the input images while closely adhering to user instructions, thereby preserving strong performance even with high reduction ratios. When applied to LLaVA, CDPruner reduces FLOPs by **95\%** and CUDA latency by **78\%**, while maintaining **94\%** of the original accuracy. Our code is available at https://github.com/Theia-4869/CDPruner.

Fine-grained video action recognition can be formulated as a video–text matching problem. Previous approaches primarily rely on global video semantics to consolidate video embeddings, often leading to misaligned video–text pairs due to inaccurate atomic-level action understanding. This inaccuracy arises due to i) videos with distinct global semantics may share similar atomic actions or visual appearances, and ii) atomic actions can be momentary, gradual, or not directly aligned with overarching video semantics. Inspired by storyboarding, where a script is segmented into individual shots, we propose a multi-granularity framework, SFAR. SFAR generates fine-grained descriptions of common atomic actions for each global semantic using a large language model. Unlike existing works that refine global semantics with auxiliary video frames, SFAR introduces a filtering metric to ensure correspondence between the descriptions and the global semantics, eliminating the need for direct video involvement and thereby enabling more nuanced recognition of subtle actions. By leveraging both global semantics and fine-grained descriptions, our SFAR effectively identifies prominent frames within videos, thereby improving the accuracy of embedding aggregation. Extensive experiments on various video action recognition datasets demonstrate the competitive performance of our SFAR in supervised, few-shot, and zero-shot settings.

Designing enzyme backbones with substrate-specific functionality is a critical challenge in computational protein engineering. Current generative models excel in protein design but face limitations in binding data, substrate-specific control, and flexibility for de novo enzyme backbone generation. To address this, we introduce **EnzyBind**, a dataset with 11,100 experimentally validated enzyme-substrate pairs specifically curated from PDBbind. Building on this, we propose **EnzyControl**, a method that enables functional and substrate-specific control in enzyme backbone generation. Our approach generates enzyme backbones conditioned on MSA-annotated catalytic sites and their corresponding substrates, which are automatically extracted from curated enzyme-substrate data. At the core of EnzyControl is **EnzyAdapter**, a lightweight, modular component integrated into a pretrained motif-scaffolding model, allowing it to become substrate-aware. A two-stage training paradigm further refines the model's ability to generate accurate and functional enzyme structures. Experiments show that our EnzyControl achieves the best performance across structural and functional metrics on EnzyBind and EnzyBench benchmarks, with particularly notable improvements of 13% in designability and 13% in catalytic efficiency compared to the baseline models. The code is released at https://github.com/Vecteur-libre/EnzyControl.

In this work, we address dynamic view synthesis from monocular videos as an inverse problem in a training-free setting. By redesigning the noise initialization phase of a pre-trained video diffusion model, we enable high-fidelity dynamic view synthesis without any weight updates or auxiliary modules. We begin by identifying a fundamental obstacle to deterministic inversion arising from zero-terminal signal-to-noise ratio (SNR) schedules and resolve it by introducing a novel noise representation, termed K-order Recursive Noise Representation. We derive a closed form expression for this representation, enabling precise and efficient alignment between the VAE-encoded and the DDIM inverted latents. To synthesize newly visible regions resulting from camera motion, we introduce Stochastic Latent Modulation, which performs visibility aware sampling over the latent space to complete occluded regions. Comprehensive experiments demonstrate that dynamic view synthesis can be effectively performed through structured latent manipulation in the noise initialization phase.

Modeling and forecasting nonlinear dynamics under distribution shifts is essential for robust decision-making in real-world systems. In this work, we propose **MetaKoopman**, a Bayesian meta-learning framework for modeling nonlinear dynamics through linear latent representations. MetaKoopman learns a Matrix Normal-Inverse Wishart (*MNIW*) prior over the Koopman operator, enabling closed-form Bayesian updates conditioned on recent trajectory segments. Moreover, it provides a closed-form posterior predictive distribution over future state trajectories, capturing both epistemic and aleatoric uncertainty in the learned dynamics. We evaluate MetaKoopman on a full-scale autonomous truck and trailer system across a wide range of adverse winter scenarios—including snow, ice, and mixed-friction conditions—as well as in simulated control tasks with diverse distribution shifts. MetaKoopman consistently outperforms prior approaches in multi-step prediction accuracy, uncertainty calibration and robustness to distributional shifts. Field experiments further demonstrate its effectiveness in dynamically feasible motion planning, particularly during evasive maneuvers and operation at the limits of traction. Project website: [https://mahmoud-selim.github.io/MetaKoopman/](https://mahmoud-selim.github.io/MetaKoopman/)

We introduce Aeolus, a large-scale Multi-modal Flight Delay Dataset designed to advance research on flight delay prediction and support the development of foundation models for tabular data. Existing datasets in this domain are typically limited to flat tabular structures and fail to capture the spatiotemporal dynamics inherent in delay propagation. Aeolus addresses this limitation by providing three aligned modalities: (i) a tabular dataset with rich operational, meteorological, and airportlevel features for over 50 million flights; (ii) a flight chain module that models delay propagation along sequential flight legs, capturing upstream and downstream dependencies; and (iii) a flight network graph that encodes shared aircraft, crew, and airport resource connections, enabling cross-flight relational reasoning. The dataset is carefully constructed with temporal splits, comprehensive features, and strict leakage prevention to support realistic and reproducible machine learning evaluation. Aeolus supports a broad range of tasks, including regression, classification, temporal structure modeling, and graph learning, serving as a unified benchmark across tabular, sequential, and graph modalities. We release baseline experiments and preprocessing tools to facilitate adoption. Aeolus fills a key gap for both domain-specific modeling and general-purpose structured data research.Our source code and data can be accessed at https://github.com/Flnny/Delay-data

Tri-plane-like representations have been widely adopted in 3D-aware GANs for head image synthesis and other 3D object/scene modeling tasks due to their efficiency. However, querying features via Cartesian coordinate projection often leads to feature entanglement, which results in mirroring artifacts. A recent work, SphereHead, attempted to address this issue by introducing spherical tri-planes based on a spherical coordinate system. While it successfully mitigates feature entanglement, SphereHead suffers from uneven mapping between the square feature maps and the spherical planes, leading to inefficient feature map utilization during rendering and difficulties in generating fine image details.Moreover, both tri-plane and spherical tri-plane representations share a subtle yet persistent issue: feature penetration across convolutional channels can cause interference between planes, particularly when one plane dominates the others (see Fig. 1). These challenges collectively prevent tri-plane-based methods from reaching their full potential. In this paper, we systematically analyze these problems for the first time and propose innovative solutions to address them. Specifically, we introduce a novel hybrid-plane (hy-plane for short) representation that combines the strengths of both planar and spherical planes while avoiding their respective drawbacks. We further enhance the spherical plane by replacing the conventional theta-phi warping with a novel near-equal-area warping strategy, which maximizes the effective utilization of the square feature map. In addition, our generator synthesizes a single-channel unified feature map instead of multiple feature maps in separate channels, thereby effectively eliminating feature penetration. With a series of technical improvements, our hy-plane representation enables our method, HyPlaneHead, to achieve state-of-the-art performance in full-head image synthesis.