NeurIPS 2025 Papers

Thompson Sampling is a principled method for balancing exploration and exploitation, but its real-world adoption faces computational challenges in large-scale or non-conjugate settings. While ensemble-based approaches offer partial remedies, they typically require prohibitively large ensemble sizes. We propose Ensemble++, a scalable exploration framework using a novel shared-factor ensemble architecture with random linear combinations. For linear bandits, we provide theoretical guarantees showing that Ensemble++ achieves regret comparable to exact Thompson Sampling with only $\Theta(d \log T)$ ensemble sizes--significantly outperforming prior methods. Crucially, this efficiency holds across both compact and finite action sets with either time-invariant or time-varying contexts without configuration changes. We extend this theoretical foundation to nonlinear rewards by replacing fixed features with learnable neural representations while preserving the same incremental update principle, effectively bridging theory and practice for real-world tasks. Comprehensive experiments across linear, quadratic, neural, and GPT-based contextual bandits validate our theoretical findings and demonstrate Ensemble++'s superior regret-computation tradeoff versus state-of-the-art methods.

Constrained decoding enables Language Models (LMs) to produce samples that provably satisfy hard constraints. However, existing constrained-decoding approaches often distort the underlying model distribution, a limitation that is especially problematic in applications like program fuzzing, where one wants to generate diverse and valid program inputs for testing purposes. We propose a new constrained sampling framework based on Markov Chain Monte Carlo (MCMC) that simultaneously satisfies three core desiderata: constraint satisfying (every sample satisfies the constraint), monotonically converging (the sampling process converges to the true conditional distribution), and efficient (high-quality samples emerge in few steps). Our method constructs a proposal distribution over valid outputs and applies a Metropolis-Hastings acceptance criterion based on the LM’s likelihood, ensuring principled and efficient exploration of the constrained space. Empirically, our sampler outperforms existing methods on both synthetic benchmarks and real-world program fuzzing tasks.

Continual learning requires the model to continually capture novel information without forgetting prior knowledge. Nonetheless, existing studies predominantly address the catastrophic forgetting, often neglecting enhancements in model robustness. Consequently, these methodologies fall short in real-time applications, such as autonomous driving, where data samples frequently exhibit noise due to environmental and lighting variations, thereby impairing model efficacy and causing safety issues. In this paper, we address robustness in continual learning systems by introducing an innovative approach, the Dynamic Siamese Expansion Framework (DSEF) that employs a Siamese backbone architecture, comprising static and dynamic components, to facilitate the learning of both global and local representations over time. Specifically, the proposed framework dynamically generates a lightweight expert for each novel task, leveraging the Siamese backbone to enable rapid adaptation. A novel Robust Dynamic Representation Optimization (RDRO) approach is proposed to incrementally update the dynamic backbone by maintaining all previously acquired representations and prediction patterns of historical experts, thereby fostering new task learning without inducing detrimental knowledge transfer. Additionally, we propose a novel Robust Feature Fusion (RFF) approach to incrementally amalgamate robust representations from all historical experts into the expert construction process. A novel mutual information-based technique is employed to derive adaptive weights for feature fusion by assessing the knowledge relevance between historical experts and the new task, thus maximizing positive knowledge transfer effects. A comprehensive experimental evaluation, benchmarking our approach against established baselines, demonstrates that our method achieves state-of-the-art performance even under adversarial attacks.

Adaptation is the cornerstone of effective collaboration among heterogeneous team members. In human-agent teams, artificial agents need to adapt to their human partners in real time, as individuals often have unique preferences and policies that may change dynamically throughout interactions. This becomes particularly challenging in tasks with time pressure and complex strategic spaces, where identifying partner behaviors and selecting suitable responses is difficult. In this work, we introduce a strategy-conditioned cooperator framework that learns to represent, categorize, and adapt to a broad range of potential partner strategies in real-time. Our approach encodes strategies with a variational autoencoder to learn a latent strategy space from agent trajectory data, identifies distinct strategy types through clustering, and trains a cooperator agent conditioned on these clusters by generating partners of each strategy type. For online adaptation to novel partners, we leverage a fixed-share regret minimization algorithm that dynamically infers and adjusts the partner's strategy estimation during interaction. We evaluate our method in a modified version of the Overcooked domain, a complex collaborative cooking environment that requires effective coordination among two players with a diverse potential strategy space. Through these experiments and an online user study, we demonstrate that our proposed agent achieves state of the art performance compared to existing baselines when paired with novel human, and agent teammates.

We propose KnotGym, an interactive environment for complex, spatial reasoning and manipulation. KnotGym includes goal-oriented rope manipulation tasks with varying levels of complexity, all requiring acting from pure image observations. Tasks are defined along a clear and quantifiable axis of complexity based on the number of knot crossings, creating a natural generalization test. KnotGym has a simple observation space, allowing for scalable development, yet it highlights core challenges in integrating acute perception, spatial reasoning, and grounded manipulation. We evaluate methods of different classes, including model-based RL, model-predictive control, and chain-of-thought reasoning, and illustrate the challenges KnotGym presents.

Forest ecosystems play a critical role in the Earth system as major carbon sinks that are essential for carbon neutralization and climate change mitigation. However, the Earth has undergone significant deforestation and forest degradation, and the remaining forested areas are also facing increasing pressures from socioeconomic factors and climate change, potentially pushing them towards tipping points. Responding to the grand challenge, a theory-based Ecosystem Demography (ED) model has been continuously developed over the past two decades and serves as a key component in major initiatives, including the Global Carbon Budget, NASA Carbon Monitoring System, and US Greenhouse Gas Center. Despite its growing importance in combating climate change and shaping carbon policies, ED's expensive computation significantly limits its ability to estimate carbon dynamics at the global scale with high spatial resolution. Recently, machine learning (ML) models have shown promising potential in approximating theory-based models with interesting success in various domains including weather forecasting, thanks to the open-source benchmark datasets made available. However, there are currently no publicly available ML-ready datasets for global carbon dynamics forecasting in forest ecosystems. The limited data availability hinders the development of corresponding ML emulators. Furthermore, the inputs needed for running ED are highly complex with over a hundred variables from various remote sensing products. To bridge the gap, we develop a new ML-ready benchmark dataset, \textit{CarbonGlobe}, for carbon dynamics forecasting, featuring that: (1) the data has a global-scale coverage at 0.5$^\circ$ resolution; (2) the temporal range spans 40 years; (3) the inputs integrate extensive multi-source data from different sensing products, with calibrated outputs from ED; (4) the data is formatted in ML-ready forms and split into different evaluation scenarios based on climate conditions, etc.; (5) a set of problem-driven metrics is designed to develop benchmarks using various ML models to best align with the needs of downstream applications. Our dataset and code are publicly available on Kaggle and GitHub: https://www.kaggle.com/datasets/zhihaow/carbonglobe and https://github.com/zhwang0/carbon-globe.

Distribution shifts between training and test data undermine the reliability of deep neural networks, challenging real-world applications across domains and subpopulations. While distributionally robust optimization (DRO) methods like GroupDRO aim to improve robustness by optimizing worst-case performance over predefined groups, their use of a single global classifier can be restrictive when facing substantial inter-environment variability. We propose Multi-Expert Distributionally Robust Optimization (MEDRO), a novel extension of GroupDRO designed to address such complex shifts. MEDRO employs a shared feature extractor with $m$ environment-specific expert classifier heads, and introduces a min-max objective over all $m^{2}$ expert-environment pairings, explicitly modeling cross-environment risks. This expanded uncertainty set captures fine-grained distributional variations that a single classifier might overlook. Empirical evaluations on a range of standard distribution shift benchmarks demonstrate that MEDRO often achieves robust predictive performance compared to existing methods. Furthermore, MEDRO offers practical inference strategies, such as ensembling or gating mechanisms, for typical scenarios where environment labels are unavailable at test time. Our findings suggest MEDRO as a promising step toward resilient and generalizable machine learning under real-world distribution shifts.

When a vision model performs image recognition, which visual attributes drive its predictions? Detecting unintended reliance on specific visual features is critical for ensuring model robustness, preventing overfitting, and avoiding spurious correlations. We introduce an automated framework for detecting such dependencies in trained vision models. At the core of our method is a self-reflective agent that systematically generates and tests hypotheses about visual attributes that a model may rely on. This process is iterative: the agent refines its hypotheses based on experimental outcomes and uses a self-evaluation protocol to assess whether its findings accurately explain model behavior. When inconsistencies arise, the agent self-reflects over its findings and triggers a new cycle of experimentation. We evaluate our approach on a novel benchmark of 130 models designed to exhibit diverse visual attribute dependencies across 18 categories. Our results show that the agent's performance consistently improves with self-reflection, with a significant performance increase over non-reflective baselines. We further demonstrate that the agent identifies real-world visual attribute dependencies in state-of-the-art models, including CLIP's vision encoder and the YOLOv8 object detector.

Drone Visual Active Tracking aims to autonomously follow a target object by controlling the motion system based on visual observations, providing a more practical solution for effective tracking in dynamic environments. However, accurate Drone Visual Active Tracking using reinforcement learning remains challenging due to the absence of a unified benchmark and the complexity of open-world environments with frequent interference. To address these issues, we pioneer a systematic solution. First, we propose DAT, the first open-world drone active air-to-ground tracking benchmark. It encompasses 24 city-scale scenes, featuring targets with human-like behaviors and high-fidelity dynamics simulation. DAT also provides a digital twin tool for unlimited scene generation. Additionally, we propose a novel reinforcement learning method called GC-VAT, which aims to improve the performance of drone tracking targets in complex scenarios. Specifically, we design a Goal-Centered Reward to provide precise feedback across viewpoints to the agent, enabling it to expand perception and movement range through unrestricted perspectives. Inspired by curriculum learning, we introduce a Curriculum-Based Training strategy that progressively enhances the tracking performance in complex environments. Besides, experiments on simulator and real-world images demonstrate the superior performance of GC-VAT, achieving a Tracking Success Rate of approximately 72% on the simulator. The benchmark and code are available at https://github.com/SHWplus/DAT_Benchmark.

Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and propose a multi-expert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performance on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees. The code is available at [https://github.com/CIAM-Group/Rethinking\_Constraint\_Tightness](https://github.com/CIAM-Group/Rethinking\_Constraint\_Tightness).

Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data. Most SSL approaches rely on strong, well-established, handcrafted data augmentations to generate diverse views for representation learning. However, designing such augmentations requires domain-specific knowledge and implicitly imposes representational invariances on the model, which can limit generalization. In this work, we propose an unsupervised representation learning method that replaces augmentations by generating views using orthonormal bases and overcomplete frames. We show that embeddings learned from orthonormal and overcomplete spaces reside on distinct manifolds, shaped by the geometric biases introduced by representing samples in different spaces. By jointly leveraging the complementary geometry of these distinct manifolds, our approach achieves superior performance without artificially increasing data diversity through strong augmentations. We demonstrate the effectiveness of our method on nine datasets across five temporal sequence tasks, where signal-specific characteristics make data augmentations particularly challenging. Without relying on augmentation-induced diversity, our method achieves performance gains of up to 15--20\% over existing self-supervised approaches. Source code: \url{https://github.com/eth-siplab/Learning-with-FrameProjections}

In dance performances, choreographers define the visual expression of movement, while cinematographers shape its final presentation through camera work. Consequently, the synthesis of camera movements informed by both music and dance has garnered increasing research interest. While recent advancements have led to notable progress in this area, existing methods predominantly operate in an offline manner—that is, they require access to the entire dance sequence before generating corresponding camera motions. This constraint renders them impractical for real-time applications, particularly in live stage performances, where immediate responsiveness is essential. To address this limitation, we introduce a more practical yet challenging task: online camera movement synthesis, in which camera trajectories must be generated using only the current and preceding segments of dance and music. In this paper, we propose TemMEGA (Temporal Masked Generative Modeling), a unified framework capable of handling both online and offline camera movement generation. TemMEGA consists of three key components. First, a discrete camera tokenizer encodes camera motions as discrete tokens via a discrete quantization scheme. Second, a consecutive memory encoder captures historical context by jointly modeling long- and short-term temporal dependencies across dance and music sequences. Finally, a temporal conditional masked transformer is employed to predict future camera motions by leveraging masked token prediction. Extensive experimental evaluations demonstrate the effectiveness of our TemMEGA, highlighting its superiority in both online and offline camera movement synthesis.

Searching over semi-structured data with natural language (NL) queries has attracted sustained attention, enabling broader audiences to access information easily. As more applications, such as LLM agents and RAG systems, emerge to search and interact with semi-structured data, two major challenges have become evident: (1) the increasing diversity of domains and schema variations, making domain-customized solutions prohibitively costly; (2) the growing complexity of NL queries, which combine both exact field matching conditions and fuzzy semantic requirements, often involving multiple fields and implicit reasoning. These challenges make formal language querying or keyword-based search insufficient. In this work, we explore neural retrievers as a unified non-formal querying solution by directly index semi-structured collections and understand NL queries. We employ LLM-based automatic evaluation and build a large-scale semi-structured retrieval benchmark (SSRB) using LLM generation and filtering, containing 14M semi-structured objects from 99 different schemas across 6 domains, along with 8,485 test queries that combine both exact and fuzzy matching conditions. Our systematic evaluation of popular retrievers shows that current state-of-the-art models could achieve acceptable performance, yet they still lack precise understanding of matching constraints. While by in-domain training of dense retrievers, the performance can be significantly improved. We believe that our SSRB could serve as a valuable resource for future research in this area, and we hope to inspire further exploration of semi-structured retrieval with complex queries.

The increasing reliance on large-scale datasets in machine learning poses significant privacy and ethical challenges, particularly in sensitive domains such as face recognition. Synthetic data generation offers a promising alternative; however, most existing methods depend heavily on external datasets or pre-trained models, increasing complexity and resource demands. In this paper, we introduce **AugGen**, a self-contained synthetic augmentation technique. AugGen strategically samples from a class-conditional generative model trained exclusively on the target FR dataset, eliminating the need for external resources. Evaluated across 8 FR benchmarks, including IJB-C and IJB-B, our method achieves **1–12% performance improvements**, outperforming models trained solely on real data and surpassing state-of-the-art synthetic data generation approaches, while using less real data. Notably, these gains often exceed those from architectural modifications, underscoring the value of synthetic augmentation in data-limited scenarios. Our findings demonstrate that carefully integrated synthetic data can both mitigate privacy constraints and substantially enhance discriminative performance in face recognition. Code and datasets will be made publicly available upon publication.

We develop the first parameter-free algorithms for the Stochastically Extended Adversarial (SEA) model, a framework that bridges adversarial and stochastic online convex optimization. Existing approaches for the SEA model require prior knowledge of problem-specific parameters, such as the diameter of the domain $D$ and the Lipschitz constant of the loss functions $G$, which limits their practical applicability. Addressing this, we develop parameter-free methods by leveraging the Optimistic Online Newton Step (OONS) algorithm to eliminate the need for these parameters. We first establish a comparator-adaptive algorithm for the scenario with unknown domain diameter but known Lipschitz constant, achieving an expected regret bound of $\tilde{O}\big(\Vert u\Vert_2^2 + \Vert u\Vert_2(\sqrt{\sigma^2_{1:T}} + \sqrt{\Sigma^2_{1:T}})\big)$, where $u$ is the comparator vector and $\sigma^2_{1:T}$ and $\Sigma^2_{1:T}$ represent the cumulative stochastic variance and cumulative adversarial variation, respectively. We then extend this to the more general setting where both $D$ and $G$ are unknown, attaining the comparator- and Lipschitz-adaptive algorithm. Notably, the regret bound exhibits the same dependence on $\sigma^2_{1:T}$ and $\Sigma^2_{1:T}$, demonstrating the efficacy of our proposed methods even when both parameters are unknown in the SEA model.

Diffusion models have emerged as a powerful paradigm for generative sequential recommendation, which typically generate next items to recommend guided by user interaction histories with a multi-step denoising process. However, the multi-step process relies on discrete approximations, introducing discretization error that creates a trade-off between computational efficiency and recommendation effectiveness. To address this trade-off, we propose TA-Rec, a two-stage framework that achieves one-step generation by smoothing the denoising function during pretraining while alleviating trajectory deviation by aligning with user preferences during fine-tuning. Specifically, to improve the efficiency without sacrificing the recommendation performance, TA-Rec pretrains the denoising model with Temporal Consistency Regularization (TCR), enforcing the consistency between the denoising results across adjacent steps. Thus, we can smooth the denoising function to map the noise as oracle items in one step with bounded error. To further enhance effectiveness, TA-Rec introduces Adaptive Preference Alignment (APA) that aligns the denoising process with user preference adaptively based on preference pair similarity and timesteps. Extensive experiments prove that TA-Rec’s two-stage objective effectively mitigates the discretization errors-induced trade-off, enhancing both efficiency and effectiveness of diffusion-based recommenders. Our code is available at https://github.com/maowenyu-11/TA-Rec.

Designing effective strategies for controlling epidemic spread by vaccination is an important question in epidemiology, especially in the early stages when vaccines are limited. This is a challenging question when the contact network is very heterogeneous, and strategies based on controlling network properties, such as the degree and spectral radius, have been shown to be effective. Implementation of such strategies requires detailed information on the contact structure, which might be sensitive in many applications. Our focus here is on choosing effective vaccination strategies when the edges are sensitive and differential privacy guarantees are needed. Our main contributions are $(\varepsilon,\delta)$-differentially private algorithms for designing vaccination strategies by reducing the maximum degree and spectral radius. Our key technique is a private algorithm for the multi-set multi-cover problem, which we use for controlling network properties. We evaluate privacy-utility tradeoffs of our algorithms on multiple synthetic and real-world networks, and show their effectiveness.

The rapid advancement of generative AI enables highly realistic synthetic video, posing significant challenges for content authentication and raising urgent concerns about misuse. Existing detection methods often struggle with generalization and capturing subtle temporal inconsistencies. We propose $ReStraV$ ($Re$presentation $Stra$ightening for $V$ideo), a novel approach to distinguish natural from AI-generated videos. Inspired by the ``perceptual straightening'' hypothesis—which suggests real-world video trajectories become more straight in neural representation domain—we analyze deviations from this expected geometric property. Using a pre-trained self-supervised vision transformer (DINOv2), we quantify the temporal curvature and stepwise distance in the model's representation domain. We aggregate statistical and signals descriptors of these measures for each video and train a classifier. Our analysis shows that AI-generated videos exhibit significantly different curvature and distance patterns compared to real videos. A lightweight classifier achieves state-of-the-art detection performance (e.g., $97.17$ % accuracy and $98.63$ % AUROC on the VidProM benchmark, substantially outperforming existing image- and video-based methods. ReStraV is computationally efficient, it is offering a low-cost and effective detection solution. This work provides new insights into using neural representation geometry for AI-generated video detection.

Recent foundational models for tabular data, such as TabPFN, excel at adapting to new tasks via in-context learning but remain constrained to a fixed, pre-defined number of target dimensions—often necessitating costly ensembling strategies. We trace this constraint to a deeper architectural shortcoming: these models lack target-equivariance, so that permuting target-dimension orderings alters their predictions. This deficiency gives rise to an irreducible “equivariance gap,” an error term that introduces instability in predictions. We eliminate this gap by designing a fully target-equivariant architecture—ensuring permutation invariance via equivariant encoders, decoders, and a bi-attention mechanism. Empirical evaluation on standard classification benchmarks shows that, on datasets with more classes than those seen during pre-training, our model matches or surpasses existing methods while incurring lower computational overhead.