NeurIPS 2025 Papers

Standard training metrics like loss fail to explain the emergence of complex capabilities in large language models. We take a spectral approach to investigate the geometry of learned representations across pretraining and post-training, measuring effective rank (RankMe) and eigenspectrum decay (αReQ). With OLMo (1B-7B) and Pythia (160M-12B) models, we uncover a consistent non-monotonic sequence of three geometric phases during autoregressive pretraining. The initial “warmup” phase exhibits rapid representational collapse. This is followed by an “entropy-seeking” phase, where the manifold’s dimensionality expands substantially, coinciding with peak n-gram memorization. Subsequently, a “compression-seeking” phase imposes anisotropic consolidation, selectively preserving variance along dominant eigendirections while contracting others, a transition marked with significant improvement in downstream task performance. We show these phases can emerge from a fundamental interplay of cross-entropy optimization under skewed token frequencies and representational bottlenecks (d ≪ |V|). Post-training further transforms geometry: SFT and DPO drive “entropy-seeking” dynamics to integrate specific instructional or preferential data, improving in-distribution performance while degrading out-of-distribution robustness. Conversely, RLVR induces “compression-seeking” , enhancing reward alignment but reducing generation diversity.

Despite steady progress in layout-to-image generation, current methods still struggle with layouts containing significant overlap between bounding boxes. We identify two primary challenges: (1) large overlapping regions and (2) overlapping instances with minimal semantic distinction. Through both qualitative examples and quantitative analysis, we demonstrate how these factors degrade generation quality. To systematically assess this issue, we introduce OverLayScore, a novel metric that quantifies the complexity of overlapping bounding boxes. Our analysis reveals that existing benchmarks are biased toward simpler cases with low OverLayScore values, limiting their effectiveness in evaluating models under more challenging conditions. To reduce this gap, we present OverLayBench, a new benchmark featuring balanced OverLayScore distributions and high-quality annotations. As an initial step toward improved performance on complex overlaps, we also propose CreatiLayout-AM, a model trained on a curated amodal mask dataset. Together, our contributions establish a foundation for more robust layout-to-image generation under realistic and challenging scenarios.

Novel view synthesis from monocular videos of dynamic scenes with unknown camera poses remains a fundamental challenge in computer vision and graphics. While recent advances in 3D representations such as Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS) have shown promising results for static scenes, they struggle with dynamic content and typically rely on pre-computed camera poses. We present 4D3R, a pose-free dynamic neural rendering framework that decouples static and dynamic components through a two-stage approach. Our method first leverages 3D foundational models for initial pose and geometry estimation, followed by motion-aware refinement. 4D3R introduces two key technical innovations: (1) a motion-aware bundle adjustment (MA-BA) module that combines transformer-based learned priors with SAM2 for robust dynamic object segmentation, enabling more accurate camera pose refinement; and (2) an efficient Motion-Aware Gaussian Splatting (MA-GS) representation that uses control points with a deformation field MLP and linear blend skinning to model dynamic motion, significantly reducing computational cost while maintaining high-quality reconstruction. Extensive experiments on real-world dynamic datasets demonstrate that our approach achieves up to 1.8dB PSNR improvement over state-of-the-art methods, particularly in challenging scenarios with large dynamic objects, while reducing computational requirements by 5× compared to previous dynamic scene representations.

Multimodal Large Language Models (MLLMs) have demonstrated excellent performance in video understanding but suffer from degraded effectiveness when processing long videos due to fixed-length contexts and weaknesses in modeling long-term dependencies. Retrieval-Augmented Generation (RAG) technology can mitigate these limitations through dynamic knowledge expansion, but existing RAG schemes for video understanding employ fixed retrieval paradigms that use uniform structures regardless of input query difficulty. This introduces redundant computational overhead and latency (*e.g.*, complex graph traversal operations) for simple queries (*e.g.*, frame-level object recognition) while potentially causing critical information loss due to insufficient retrieval granularity for multi-hop reasoning. Such single-step retrieval mechanisms severely constrain the model's balance between resource efficiency and cognitive depth. To address this, we first propose a novel AdaVideoRAG framework for long-video understanding, which uses a lightweight intent classifier to dynamically and adaptively allocate appropriate retrieval schemes, ranging from the simplest to the most sophisticated, for different video understanding tasks based on query complexity. We introduce an Omni-Knowledge Indexing module to extract valuable information from multi-modal signals for context modeling and build corresponding databases, *i.e.*, a text base from clip captions, ASR, and OCR; a visual base; and a graph for deep semantic understanding. This enables hierarchical knowledge access, integration, and generation from naive retrieval to graph retrieval, achieving an optimal balance between resource consumption and video understanding capabilities. Finally, we construct the HiVU benchmark for deep understanding evaluation. Extensive experiments show that our framework enhances the overall efficiency and accuracy of Video-QA for long videos and can be seamlessly integrated with existing MLLMs via lightweight API calls, establishing a new paradigm for adaptive retrieval augmentation in video analysis.

We study the generalization performance of unregularized gradient methods for separable linear classification. While previous work mostly deal with the binary case, we focus on the multiclass setting with $k$ classes and establish novel population risk bounds for Gradient Descent for loss functions that decay to zero. In this setting, we show risk bounds that reveal that convergence rates are crucially influenced by the geometry of the loss template, as formalized by Wang and Scott (2024), rather than of the loss function itself. Particularly, we establish risk upper bounds that holds for any decay rate of the loss whose template is smooth with respect to the $p$-norm. In the case of exponentially decaying losses, our results indicates a contrast between the $p=\infty$ case, where the risk exhibits a logarithmic dependence on $k$, and $p=2$ where the risk scales linearly with $k$. To establish this separation formally, we also prove a lower bound in the latter scenario, demonstrating that the polynomial dependence on $k$ is unavoidable. Central to our analysis is a novel bound on the Rademacher complexity of low-noise vector-valued linear predictors with a loss template smooth w.r.t. general $p$-norms.

We study the problem of estimating the mean reward of the best arm in a multi-armed bandit (MAB) setting. Specifically, given a target precision $\varepsilon$ and confidence level $1-\delta$, the goal is to return an $\varepsilon$-accurate estimate of the largest mean reward with probability at least $1-\delta$, while minimizing the number of samples. We first establish an instance-dependent lower bound on the sample complexity, which requires handling the infinitely many possible candidates of the estimated best mean. This lower bound is expressed in a non-convex optimization problem, which becomes the main difficulty of this problem, preventing the direct application of standard techniques such as Track-and-Stop to provably achieve optimality. To overcome this difficulty, we introduce several new algorithmic and analytical techniques and propose an algorithm that achieves the asymptotic lower bound with matching constants in the leading term. Our method combines a confidence ellipsoid-based stopping condition with a two-phase sampling strategy tailored to manage non-convexity proposed algorithm is simple, nearly free of hyperparameters, and achieves the instance-dependent, asymptotically optimal sample complexity. Experimental results support our theoretical guarantees and demonstrate the practical effectiveness of our method.

Algorithms for learning decision trees often include heuristic local-search operations such as (1) adjusting the threshold of a cut or (2) also exchanging the feature of that cut. We study minimizing the number of classification errors by performing a fixed number of a single type of these operations. Although we discover that the corresponding problems are NP-complete in general, we provide a comprehensive parameterized-complexity analysis with the aim of determining those properties of the problems that explain the hardness and those that make the problems tractable. For instance, we show that the problems remain hard for a small number $d$ of features or small domain size $D$ but the combination of both yields fixed-parameter tractability. That is, the problems are solvable in $(D + 1)^{2d} \cdot |\mathcal{I}|^{O(1)}$ time, where $|\mathcal{I}|$ is the size of the input. We also provide a proof-of-concept implementation of this algorithm and report on empirical results.

Designing effective black‑box optimizers is hampered by limited problem-specific knowledge and manual control that spans months for almost every detail. In this paper, we present DesignX, the first automated algorithm design framework that generates an effective optimizer specific to a given black-box optimization problem within seconds. Rooted in the first principles, we identify two key sub-tasks: 1) algorithm structure generation and 2) hyperparameter control. To enable systematic construction, a comprehensive modular algorithmic space is first built, embracing hundreds of algorithm components collected from decades of research. We then introduce a dual-agent reinforcement learning system that collaborates on structural and parametric design through a novel cooperative training objective, enabling large-scale meta-training across 10k diverse instances. Remarkably, through days of autonomous learning, the DesignX-generated optimizers continuously surpass human-crafted optimizers by orders of magnitude, either on synthetic testbed or on realistic optimization scenarios such as Protein-docking, AutoML and UAV path planning. Further in-depth analysis reveals DesignX's capability to discover non-trivial algorithm patterns beyond expert intuition, which, conversely, provides valuable design insights for the optimization community. We provide DesignX's Python project at~\url{https://github.com/MetaEvo/DesignX}.

Large Language Models (LLMs) have achieved remarkable success across many applications, with Mixture of Experts (MoE) models demonstrating great potential. Compared to traditional dense models, MoEs achieve better performance with less computation. Speculative decoding (SD) is a widely used technique to accelerate LLM inference without accuracy loss, but it has been considered efficient only for dense models. In this work, we first demonstrate that, under medium batch sizes, MoE surprisingly benefits more from SD than dense models. Furthermore, as MoE becomes sparser -- the prevailing trend in MoE designs -- the batch size range where SD acceleration is expected to be effective becomes broader. To quantitatively understand tradeoffs involved in SD, we develop a reliable modeling based on theoretical analyses. While current SD research primarily focuses on improving acceptance rates of algorithms, changes in workload and model architecture can still lead to degraded SD acceleration even with high acceptance rates. To address this limitation, we introduce a new metric 'target efficiency' that characterizes these effects, thus helping researchers identify system bottlenecks and understand SD acceleration more comprehensively. For scenarios like private serving, this work unveils a new perspective to speed up MoE inference, where existing solutions struggle. Experiments on different GPUs show up to 2.29x speedup for Qwen2-57B-A14B at medium batch sizes and validate our theoretical predictions.

Recent Large Vision Language Models (LVLMs) demonstrate promising capabilities in unifying visual understanding and generative modeling, enabling both accurate content understanding and flexible editing. However, current approaches treat \textbf{\textit{"what to see"}} and \textbf{\textit{"how to edit"}} separately: they either perform isolated object segmentation or utilize segmentation masks merely as conditional prompts for local edit generation tasks, often relying on multiple disjointed models. To bridge these gaps, we introduce FOCUS, a unified LVLM that integrates segmentation-aware perception and controllable object-centric generation within an end-to-end framework. FOCUS employs a dual-branch visual encoder to simultaneously capture global semantic context and fine-grained spatial details. In addition, we leverage a MoVQGAN-based visual tokenizer to produce discrete visual tokens that enhance generation quality. To enable accurate and controllable image editing, we propose a progressive multi-stage training pipeline, where segmentation masks are jointly optimized and used as spatial condition prompts to guide the diffusion decoder. This strategy aligns visual encoding, segmentation, and generation modules, effectively bridging segmentation-aware perception with fine-grained visual synthesis. Extensive experiments across three core tasks, including multimodal understanding, referring segmentation accuracy, and controllable image generation, demonstrate that FOCUS achieves strong performance by jointly optimizing visual perception and generative capabilities.

Reinforcement learning has achieved significant milestones, but sample efficiency remains a bottleneck for real-world applications. Recently, CrossQ has demonstrated state-of-the-art sample efficiency with a low update-to-data (UTD) ratio of 1. In this work, we explore CrossQ's scaling behavior with higher UTD ratios. We identify challenges in the training dynamics, which are emphasized by higher UTD ratios. To address these, we integrate weight normalization into the CrossQ framework, a solution that stabilizes training, has been shown to prevent potential loss of plasticity, and keeps the effective learning rate constant. Our proposed approach reliably scales with increasing UTD ratios, achieving competitive performance across 25 challenging continuous control tasks on the DeepMind Control Suite and Myosuite benchmarks, notably the complex dog and humanoid environments. This work eliminates the need for drastic interventions, such as network resets, and offers a simple yet robust pathway for improving sample efficiency and scalability in model-free reinforcement learning.

Spatio-temporal video grounding (STVG) aims at localizing the spatio-temporal tube of a video, as specified by the input text query. In this paper, we utilize multimodal large language models (MLLMs) to explore a zero-shot solution in STVG. We reveal two key insights about MLLMs: (1) MLLMs tend to dynamically assign special tokens, referred to as \textit{grounding tokens}, for grounding the text query; and (2) MLLMs often suffer from suboptimal grounding due to the inability to fully integrate the cues in the text query (\textit{e.g.}, attributes, actions) for inference. Based on these insights, we propose a MLLM-based zero-shot framework for STVG, which includes novel decomposed spatio-temporal highlighting (DSTH) and temporal-augmented assembling (TAS) strategies to unleash the reasoning ability of MLLMs. The DSTH strategy first decouples the original query into attribute and action sub-queries for inquiring the existence of the target both spatially and temporally. It then uses a novel logit-guided re-attention (LRA) module to learn latent variables as spatial and temporal prompts, by regularizing token predictions for each sub-query. These prompts highlight attribute and action cues, respectively, directing the model's attention to reliable spatial and temporal related visual regions. In addition, as the spatial grounding by the attribute sub-query should be temporally consistent, we introduce the TAS strategy to assemble the predictions using the original video frames and the temporal-augmented frames as inputs to help improve temporal consistency. We evaluate our method on various MLLMs, and show that it outperforms SOTA methods on three common STVG benchmarks.

Diffusion-based generative processes, formulated as differential equation solving, frequently balance computational speed with sample quality. Our theoretical investigation of ODE- and SDE-based solvers reveals complementary weaknesses: ODE solvers accumulate irreducible gradient error along deterministic trajectories, while SDE methods suffer from amplified discretization errors when the step budget is limited. Building upon this insight, we introduce AdaSDE, a novel single-step SDE solver that aims to unify the efficiency of ODEs with the error resilience of SDEs. Specifically, we introduce a single per-step learnable coefficient, estimated via lightweight distillation, which dynamically regulates the error correction strength to accelerate diffusion sampling. Notably, our framework can be integrated with existing solvers to enhance their capabilities. Extensive experiments demonstrate state-of-the-art performance: at 5 NFE, AdaSDE achieves FID scores of $4.18$ on CIFAR-10, $8.05$ on FFHQ and $6.96$ on LSUN Bedroom. Codes are available https://github.com/WLU-wry02/AdaSDE.

Pretraining a policy on offline data followed by fine-tuning through online interactions, known as Offline-to-Online Reinforcement Learning (O2O RL), has emerged as a promising paradigm for real-world RL deployment. However, both offline datasets and online interactions in practical environments are often noisy or even maliciously corrupted, severely degrading the performance of O2O RL. Existing works primarily focus on mitigating the conservatism of offline policies via online exploration, while the robustness of O2O RL under data corruption, including states, actions, rewards, and dynamics, is still unexplored. In this work, we observe that data corruption induces heavy-tailed behavior in the policy, thereby substantially degrading the efficiency of online exploration. To address this issue, we incorporate Inverse Probability Weighted (IPW) into the online exploration policy to alleviate heavy-tailedness, and propose a novel, simple yet effective method termed $\textbf{RPEX}$: $\textbf{R}$obust $\textbf{P}$olicy $\textbf{EX}$pansion. Extensive experimental results on D4RL datasets demonstrate that RPEX achieves SOTA O2O performance across a wide range of data corruption scenarios.

We present the first finite-sample analysis of policy evaluation in robust average-reward Markov Decision Processes (MDPs). Prior work in this setting have established only asymptotic convergence guarantees, leaving open the question of sample complexity. In this work, we address this gap by showing that the robust Bellman operator is a contraction under a carefully constructed semi-norm, and developing a stochastic approximation framework with controlled bias. Our approach builds upon Multi-Level Monte Carlo (MLMC) techniques to estimate the robust Bellman operator efficiently. To overcome the infinite expected sample complexity inherent in standard MLMC, we introduce a truncation mechanism based on a geometric distribution, ensuring a finite expected sample complexity while maintaining a small bias that decays exponentially with the truncation level. Our method achieves the order-optimal sample complexity of $\tilde{\mathcal{O}}(\epsilon^{-2})$ for robust policy evaluation and robust average reward estimation, marking a significant advancement in robust reinforcement learning theory.

Continual Test-Time Adaptation (CTTA) aims to quickly fine-tune the model during the test phase so that it can adapt to multiple unknown downstream domain distributions without pre-acquiring downstream domain data. To this end, existing advanced CTTA methods mainly reduce the catastrophic forgetting of historical knowledge caused by irregular switching of downstream domain data by restoring the initial model or reusing historical models. However, these methods are usually accompanied by serious insufficient learning of new knowledge and interference from potentially harmful historical knowledge, resulting in severe performance degradation. To this end, we propose a class-aware domain Knowledge Fusion and Fission method for continual test-time adaptation, called KFF, which adaptively expands and merges class-aware domain knowledge in old and new domains according to the test-time data from different domains, where discriminative historical knowledge can be dynamically accumulated. Specifically, considering the huge domain gap within streaming data, a domain Knowledge FIssion (KFI) module is designed to adaptively separate new domain knowledge from a paired class-aware domain prompt pool, alleviating the impact of negative knowledge brought by old domains that are distinct from the current domain. Besides, to avoid the cumulative computation and storage overheads from continuously fissioning new knowledge, a domain Knowledge FUsion (KFU) module is further designed to merge the fissioned new knowledge into the existing knowledge pool with minimal cost, where a greedy knowledge dynamic merging strategy is designed to improve the compatibility of new and old knowledge while keeping the computational efficiency.

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings. Experiments benchmark our method against other Bayesian optimization baselines on functional optimization tasks involving partial differential equations of physical systems, demonstrating better sample efficiency and significant performance gains.

We study the problem of sequential decision-making in environments governed by evolving causal mechanisms. Prior work on structural causal bandits--formulations that integrate causal graphs into multi-armed bandit problems to guide intervention selection--has shown that leveraging the causal structure can reduce unnecessary interventions by identifying possibly-optimal minimal intervention sets (POMISs). However, such formulations fall short in dynamic settings where reward distributions may vary over time, as their static, hence myopic, nature focuses on immediate rewards and overlooks the long-term effects of interventions. In this work, we propose a non-stationary structural causal bandit framework that leverages temporal structural causal models to capture evolving dynamics over time. We characterize how interventions propagate over time by developing graphical tools and assumptions, which form the basis for identifying non-myopic intervention strategies. Within this framework, we devise POMIS$^+$, which captures the existence of variables that contribute to maximizing both immediate and long-term rewards. Our framework provides a principled way to reason about temporally-aware interventions by explicitly modeling information propagation across time. Empirical results validate the effectiveness of our approach, demonstrating improved performance over myopic baselines.

The FAIR Universe – HiggsML Uncertainty Challenge focused on measuring the physical properties of elementary particles with imperfect simulators. Participants were required to compute and report confidence intervals for a parameter of interest regarding the Higgs boson while accounting for various systematic (epistemic) uncertainties. The dataset is a tabular dataset of 28 features and 280 million instances. Each instance represents a simulated proton-proton collision as observed at CERN’s Large Hadron Collider in Geneva, Switzerland. The features of these simulations were chosen to capture key characteristics of different types of particles. These include primary attributes, such as the energy and three-dimensional momentum of the particles, as well as derived attributes, which are calculated from the primary ones using domain-specific knowledge. Additionally, a label feature designates each instance’s type of proton-proton collision, distinguishing the Higgs boson events of interest from three background sources. As outlined in this paper, the permanent dataset release allows long-term benchmarking of new techniques. The leading submissions, including Contrastive Normalising Flows and Density Ratios estimation through classification, are described. Our challenge has brought together the physics and machine learning communities to advance our understanding and methodologies in handling systematic uncertainties within AI techniques.