NeurIPS 2025 Papers

We examine the problem of efficiently learning coarse correlated equilibria (CCE) in polyhedral games, that is, normal-form games with an exponentially large number of actions per player and an underlying combinatorial structure—such as the classic Colonel Blotto game or congestion games. Achieving computational efficiency in this setting requires learning algorithms whose regret and per-iteration complexity scale at most polylogarithmically with the size of the players’ action sets. This challenge has recently been addressed in the full-information setting, primarily through the use of kernelization; however, in the more realistic partial information setting, the situation is much more challenging, and existing approaches result in suboptimal and impractical runtime complexity to learn CCE. We address this gap via a novel kernelization-based framework for payoff-based learning in polyhedral games, which we then apply to certain key classes of polyhedral games—namely Colonel Blotto, graphic matroid and network congestion games. In so doing, we obtain a range of computationally efficient payoff-based learning algorithms which significantly improve upon prior work in terms of the runtime for learning CCE.

End-to-end autonomous driving methods aim to directly map raw sensor inputs to future driving actions such as planned trajectories, bypassing traditional modular pipelines. While these approaches have shown promise, they often operate under a one-shot paradigm that relies heavily on the current scene context, potentially underestimating the importance of scene dynamics and their temporal evolution. This limitation restricts the model’s ability to make informed and adaptive decisions in complex driving scenarios. We propose a new perspective: the future trajectory of an autonomous vehicle is closely intertwined with the evolving dynamics of its environment, and conversely, the vehicle’s own future states can influence how the surrounding scene unfolds. Motivated by this bidirectional relationship, we introduce **SeerDrive**, a novel end-to-end framework that jointly models future scene evolution and trajectory planning in a closed-loop manner. Our method first predicts future bird’s-eye view (BEV) representations to anticipate the dynamics of the surrounding scene, then leverages this foresight to generate future-context-aware trajectories. Two key components enable this: (1) future-aware planning, which injects predicted BEV features into the trajectory planner, and (2) iterative scene modeling and vehicle planning, which refines both future scene prediction and trajectory generation through collaborative optimization. Extensive experiments on the NAVSIM and nuScenes benchmarks show that SeerDrive significantly outperforms existing state-of-the-art methods.

Conventional score-based diffusion models (DMs) may struggle with anisotropic Gaussian diffusion processes due to the required inversion of covariance matrices in the denoising score matching training objective \cite{vincent_connection_2011}. We propose Whitened Score (WS) diffusion models, a novel framework based on stochastic differential equations that learns the Whitened Score function instead of the standard score. This approach circumvents covariance inversion, extending score-based DMs by enabling stable training of DMs on arbitrary Gaussian forward noising processes. WS DMs establish equivalence with flow matching for arbitrary Gaussian noise, allow for tailored spectral inductive biases, and provide strong Bayesian priors for imaging inverse problems with structured noise. We experiment with a variety of computational imaging tasks using the CIFAR, CelebA ($64\times64$), and CelebA-HQ ($256\times256$) datasets and demonstrate that WS diffusion priors trained on anisotropic Gaussian noising processes consistently outperform conventional diffusion priors based on isotropic Gaussian noise.

We present the first provable method for identifying symmetric linear dynamical systems (LDS) with accuracy guarantees that are independent of the system’s state dimension or effective memory. Our approach builds upon recent work that represents symmetric LDSs as convolutions learnable via fixed spectral transformations. We show how to invert this representation—recovering an LDS model from its spectral transform—yielding an end-to-end convex optimization procedure. This distillation preserves predictive accuracy while enabling constant-time and constant-space inference per token, independent of sequence length. We evaluate our method, SpectraLDS, as a component in sequence prediction architectures and demonstrate that accuracy is preserved while inference efficiency is improved on tasks such as language modeling.

This paper presents a computational model for universal video temporal grounding, which accurately localizes temporal moments in videos based on natural language queries (e.g., questions or descriptions). Unlike existing methods that are often limited to specific video domains or durations, we propose **UniTime**, a robust and universal video grounding model leveraging the strong vision-language understanding capabilities of generative Multi-modal Large Language Models (MLLMs). Our model effectively handles videos of diverse views, genres, and lengths while comprehending complex language queries. The key contributions include: (i) We consider steering strong MLLMs for temporal grounding in videos. To enable precise timestamp outputs, we incorporate temporal information by interleaving timestamp tokens with video tokens. (ii) By training the model to handle videos with different input granularities through adaptive frame scaling, our approach achieves robust temporal grounding for both short and long videos. (iii) Comprehensive experiments show that UniTime outperforms state-of-the-art approaches in both zero-shot and dataset-specific finetuned settings across five public temporal grounding benchmarks. (iv) When employed as a preliminary moment retriever for long-form video question-answering (VideoQA), UniTime significantly improves VideoQA accuracy, highlighting its value for complex video understanding tasks.

Graphical user interface (GUI) grounding, the ability to map natural language instructions to specific actions on graphical user interfaces, remains a critical bottleneck in computer use agent development. Current benchmarks oversimplify grounding tasks as short referring expressions, failing to capture the complexity of real-world interactions that require software commonsense, layout understanding, and fine-grained manipulation capabilities. To address these limitations, we introduce OSWorld-G, a comprehensive benchmark comprising 564 finely annotated samples across diverse task types including text matching, element recognition, layout understanding, and precise manipulation. Additionally, we synthesize and release the largest computer use grounding dataset Jedi, which contains 4 million examples through multi-perspective decoupling of tasks. Our multi-scale models trained on Jedi demonstrate its effectiveness by outperforming existing approaches on ScreenSpot-v2, ScreenSpot-Pro, and our OSWorld-G. Furthermore, we demonstrate that improved grounding with Jedi directly enhances agentic capabilities of general foundation models on complex computer tasks with state-of-the-art performance, improving from 23% to 51% on OSWorld. Through detailed ablation studies, we identify key factors contributing to grounding performance and verify that combining specialized data for different interface elements enables compositional generalization to novel interfaces. All benchmark, data, checkpoints, and code are open-sourced and available at https://osworld-grounding.github.io.

Robot sports, characterized by well-defined objectives, explicit rules, and dynamic interactions, present ideal scenarios for demonstrating embodied intelligence. In this paper, we present VolleyBots, a novel robot sports testbed where multiple drones cooperate and compete in the sport of volleyball under physical dynamics. VolleyBots integrates three features within a unified platform: competitive and cooperative gameplay, turn-based interaction structure, and agile 3D maneuvering. These intertwined features yield a complex problem combining motion control and strategic play, with no available expert demonstrations. We provide a comprehensive suite of tasks ranging from single-drone drills to multi-drone cooperative and competitive tasks, accompanied by baseline evaluations of representative reinforcement learning (RL), multi-agent reinforcement learning (MARL) and game-theoretic algorithms. Simulation results show that on-policy RL methods outperform off-policy methods in single-agent tasks, but both approaches struggle in complex tasks that combine motion control and strategic play. We additionally design a hierarchical policy which achieves 69.5% win rate against the strongest baseline in the 3 vs 3 task, demonstrating its potential for tackling the complex interplay between low-level control and high-level strategy. To highlight VolleyBots’ sim-to-real potential, we further demonstrate the zero-shot deployment of a policy trained entirely in simulation on real-world drones.

Heterogeneous temporal graphs (HTGs) are ubiquitous data structures in the real world. Recently, to enhance representation learning on HTGs, numerous attention-based neural networks have been proposed. Despite these successes, existing methods rely on a decoupled temporal and spatial learning paradigm, which weakens interactions of spatio-temporal information and leads to a high model complexity. To bridge this gap, we propose a novel learning paradigm for HTGs called Simple and Efficient Heterogeneous Temporal Graph Neural Network (SE-HTGNN). Specifically, we innovatively integrate temporal modeling into spatial learning via a novel dynamic attention mechanism, which substantially reduces model complexity while enhancing discriminative representation learning on HTGs. Additionally, to comprehensively and adaptively understand HTGs, we leverage large language models to prompt SE-HTGNN, enabling the model to capture the implicit properties of node types as prior knowledge. Extensive experiments demonstrate that SE-HTGNN achieves up to 10× speed-up over the state-of-the-art and latest baseline while maintaining the best forecasting accuracy.

We present a unified framework for automatic multitrack music arrangement that enables a single pre-trained symbolic music model to handle diverse arrangement scenarios, including reinterpretation, simplification, and additive generation. At its core is a segment-level reconstruction objective operating on token-level disentangled content and style, allowing for flexible any-to-any instrumentation transformations at inference time. To support track-wise modeling, we introduce REMI-z, a structured tokenization scheme for multitrack symbolic music that enhances modeling efficiency and effectiveness for both arrangement tasks and unconditional generation. Our method outperforms task-specific state-of-the-art models on representative tasks in different arrangement scenarios---band arrangement, piano reduction, and drum arrangement, in both objective metrics and perceptual evaluations. Taken together, our framework demonstrates strong generality and suggests broader applicability in symbolic music-to-music transformation.

Large Language Models (LLMs) have demonstrated advanced capabilities in real-world agentic applications. Growing research efforts aim to develop LLM-based agents to address practical demands, introducing a new challenge: agentic scenarios often involve lengthy instructions with complex constraints, such as extended system prompts and detailed tool specifications. While adherence to such instructions is crucial for agentic applications, whether LLMs can reliably follow them remains underexplored. In this paper, we introduce AgentIF, the first benchmark for systematically evaluating LLM instruction following ability in agentic scenarios. AgentIF features three key characteristics: (1) Realistic, constructed from $50$ real-world agentic applications. (2) Long, averaging $1,723$ words with a maximum of $15,630$ words. (3) Complex, averaging $11.9$ constraints per instruction, covering diverse constraint types, such as tool specifications and condition constraints. To construct AgentIF, we collect $707$ human-annotated instructions across $50$ agentic tasks from industrial application agents and open-source agentic systems. For each instruction, we annotate the associated constraints and corresponding evaluation metrics, including code-based evaluation, LLM-based evaluation, and hybrid code-LLM evaluation. We use AgentIF to systematically evaluate existing advanced LLMs. We observe that current models generally perform poorly, especially in handling complex constraint structures and tool specifications. We further conduct error analysis and analytical experiments on instruction length and meta constraints, providing some findings about the failure modes of existing LLMs. We have released the code and data to facilitate future research.

Out-of-distribution (OOD) detection is critical for ensuring the reliability of deep learning models in open-world applications. While post-hoc methods are favored for their efficiency and ease of deployment, existing approaches often underexploit the rich information embedded in the model’s logits space. In this paper, we propose LogitGap, a novel post-hoc OOD detection method that explicitly exploits the relationship between the maximum logit and the remaining logits to enhance the separability between in-distribution (ID) and OOD samples. To further improve its effectiveness, we refine LogitGap by focusing on a more compact and informative subset of the logit space. Specifically, we introduce a training-free strategy that automatically identifies the most informative logits for scoring. We provide both theoretical analysis and empirical evidence to validate the effectiveness of our approach. Extensive experiments on both vision-language and vision-only models demonstrate that LogitGap consistently achieves state-of-the-art performance across diverse OOD detection scenarios and benchmarks.

The problem of contextual dueling bandits is central to reinforcement learning with human feedback (RLHF), a widely used approach in AI alignment for incorporating human preferences into learning systems. Despite its importance, existing methods are constrained either by strong preference modeling assumptions or by applicability only to finite action spaces. Moreover, prior algorithms typically rely on online optimization oracles, which are computationally infeasible for complex function classes, limiting their practical effectiveness. In this work, we present the first fundamental theoretical study of general contextual dueling bandits over continuous action spaces. Our key contribution is a novel algorithm based on a regularized min-max optimization framework that achieves a regret bound of $\tilde{O}(\sqrt{dT})$—the first such guarantee for this general setting. By leveraging offline oracles instead of online ones, our method further improves computational efficiency. Empirical evaluations validate our theoretical findings, with our approach significantly outperforming existing baselines in terms of regret.

The unusual properties of in-context learning (ICL) have prompted investigations into the internal mechanisms of large language models. Prior work typically focuses on either special attention heads or task vectors at specific layers, but lacks a unified framework linking these components to the evolution of hidden states across layers that ultimately produce the model’s output. In this paper, we propose such a framework for ICL in classification tasks by analyzing two geometric factors that govern performance: the separability and alignment of query hidden states. A fine-grained analysis of layer-wise dynamics reveals a striking two-stage mechanism—separability emerges in early layers, while alignment develops in later layers. Ablation studies further show that Previous Token Heads drive separability, while Induction Heads and task vectors enhance alignment. Our findings thus bridge the gap between attention heads and task vectors, offering a unified account of ICL’s underlying mechanisms.

Initialization plays a critical role in Deep Neural Network training, directly influencing convergence, stability, and generalization. Common approaches such as Glorot and He initializations rely on randomness, which can produce uneven weight distributions across layer connections. In this paper, we introduce the Sinusoidal initialization, a novel deterministic method that employs sinusoidal functions to construct structured weight matrices expressly to improve the spread and balance of weights throughout the network while simultaneously fostering a more uniform, well‑conditioned distribution of neuron activation states from the very first forward pass. Because Sinusoidal initialization begins with weights and activations that are already evenly and efficiently utilized, it delivers consistently faster convergence, greater training stability, and higher final accuracy across a wide range of models, including convolutional neural networks, vision transformers, and large language models. On average, our experiments show an increase of 4.8 % in final validation accuracy and 20.9 % in convergence speed. By replacing randomness with structure, this initialization provides a stronger and more reliable foundation for Deep Learning systems.

Egocentric human experience data presents a vast resource for scaling up end-to-end imitation learning for robotic manipulation. However, significant domain gaps in visual appearance, sensor modalities, and kinematics between human and robot impede knowledge transfer. This paper presents EgoBridge, a unified co-training framework that explicitly aligns the policy latent spaces between human and robot data using domain adaptation. Through a measure of discrepancy on the joint policy latent features and actions based on Optimal Transport (OT), we learn observation representations that not only align between the human and robot domain but also preserve the action-relevant information critical for policy learning. EgoBridge achieves a significant absolute policy success rate improvement by 44% over human-augmented cross-embodiment baselines in three real-world single-arm and bimanual manipulation tasks. EgoBridge also generalizes to new objects, scenes, and tasks seen only in human data, where baselines fail entirely. Videos and additional information can be found at https://ego-bridge.github.io/

Consistency Models (CMs) have shown promise for efficient one-step generation. However, most existing CMs rely on manually designed discretization schemes, which can cause repeated adjustments for different noise schedules and datasets. To address this, we propose a unified framework for the automatic and adaptive discretization of CMs, formulating it as an optimization problem with respect to the discretization step. Concretely, during the consistency training process, we propose using local consistency as the optimization objective to ensure trainability by avoiding excessive discretization, and taking global consistency as a constraint to ensure stability by controlling the denoising error in the training target. We establish the trade-off between local and global consistency with a Lagrange multiplier. Building on this framework, we achieve adaptive discretization for CMs using the Gauss-Newton method. We refer to our approach as ADCMs. Experiments demonstrate that ADCMs significantly improve the training efficiency of CMs, achieving superior generative performance with minimal training overhead on both CIFAR-10 and ImageNet. Moreover, ADCMs exhibit strong adaptability to more advanced DM variants. Code is available at \url{https://github.com/rainstonee/ADCM}.

This study raises and addresses the problem of time-delayed feedback in learning in games. Because learning in games assumes that multiple agents independently learn their strategies, a discrepancy in optimization often emerges among the agents. To overcome this discrepancy, the prediction of the future reward is incorporated into algorithms, typically known as Optimistic Follow-the-Regularized-Leader (OFTRL). However, the time delay in observing the past rewards hinders the prediction. Indeed, this study firstly proves that even a single-step delay worsens the performance of OFTRL from the aspects of social regret and convergence. This study proposes the weighted OFTRL (WOFTRL), where the prediction vector of the next reward in OFTRL is weighted $n$ times. We further capture an intuition that the optimistic weight cancels out this time delay. We prove that when the optimistic weight exceeds the time delay, our WOFTRL recovers the good performances that social regret is constant in general-sum normal-form games, and the strategies last-iterate converge to the Nash equilibrium in poly-matrix zero-sum games. The theoretical results are supported and strengthened by our experiments.

We introduce BayeSQP, a novel algorithm for general black-box optimization that merges the structure of sequential quadratic programming with concepts from Bayesian optimization. BayeSQP employs second-order Gaussian process surrogates for both the objective and constraints to jointly model the function values, gradients, and Hessian from only zero-order information. At each iteration, a local subproblem is constructed using the GP posterior estimates and solved to obtain a search direction. Crucially, the formulation of the subproblem explicitly incorporates uncertainty in both the function and derivative estimates, resulting in a tractable second-order cone program for high probability improvements under model uncertainty. A subsequent one-dimensional line search via constrained Thompson sampling selects the next evaluation point. Empirical results show that BayeSQP outperforms state-of-the-art methods in specific high-dimensional settings. Our algorithm offers a principled and flexible framework that bridges classical optimization techniques with modern approaches to black-box optimization.

Clinical reasoning in medicine is a hypothesis-driven process where physicians refine diagnoses from limited information through targeted history, physical examination, and diagnostic investigations. In contrast, current medical benchmarks for large language models (LLMs) primarily assess knowledge recall through single-turn questions, where complete clinical information is provided upfront. To address this gap, we introduce VivaBench, a multi-turn benchmark that evaluates sequential clinical reasoning in LLM agents. Our dataset consists of 1762 physician-curated clinical vignettes structured as interactive scenarios that simulate a $ \textit{viva voce}$ (oral) examination in medical training, requiring agents to actively probe for relevant findings, select appropriate investigations, and synthesize information across multiple steps to reach a diagnosis. While current LLMs demonstrate competence in diagnosing conditions from well-described clinical presentations, their performance degrades significantly when required to navigate iterative diagnostic reasoning under uncertainty in our evaluation. Our analysis identified several failure modes that mirror common cognitive errors in clinical practice, including: (1) fixation on initial hypotheses, (2) inappropriate investigation ordering, (3) premature diagnostic closure, and (4) failing to screen for critical conditions. These patterns reveal fundamental limitations in how current LLMs reason and make decisions under uncertainty. Through VivaBench, we provide a standardized benchmark for evaluating conversational medical AI systems for real-world clinical decision support. Beyond medical applications, we contribute to the larger corpus of research on agentic AI by demonstrating how sequential reasoning trajectories can diverge in complex decision-making environments.