NeurIPS 2025 论文列表

In this paper, we consider a block coordinate descent (BCD) algorithm for training deep neural networks and provide a new global convergence guarantee under strictly monotonically increasing activation functions. While existing works demonstrate convergence to stationary points for BCD in neural networks, our contribution is the first to prove convergence to global minima, ensuring arbitrarily small loss. We show that the loss with respect to the output layer decreases exponentially while the loss with respect to the hidden layers remains well-controlled. Additionally, we derive generalization bounds using the Rademacher complexity framework, demonstrating that BCD not only achieves strong optimization guarantees but also provides favorable generalization performance. Moreover, we propose a modified BCD algorithm with skip connections and non-negative projection, extending our convergence guarantees to ReLU activation, which are not strictly monotonic. Empirical experiments confirm our theoretical findings, showing that the BCD algorithm achieves a small loss for strictly monotonic and ReLU activations.

Recent advances in generative artificial intelligence (GenAI) models have enabled the generation of personalized content that adapts to up-to-date user context. While personalized decision systems are often modeled using bandit formulations, the integration of GenAI introduces new structure into otherwise classical sequential learning problems. In GenAI-powered interventions, the agent selects a query, but the environment experiences a stochastic response drawn from the generative model. Standard bandit methods do not explicitly account for this structure, where actions influence rewards only through stochastic, observed treatments. We introduce generator-mediated bandit-Thompson sampling (GAMBITTS), a bandit approach designed for this action/treatment split, using mobile health interventions with large language model-generated text as a motivating case study. GAMBITTS explicitly models both the treatment and reward generation processes, using information in the delivered treatment to accelerate policy learning relative to standard methods. We establish regret bounds for GAMBITTS by decomposing sources of uncertainty in treatment and reward, identifying conditions where it achieves stronger guarantees than standard bandit approaches. In simulation studies, GAMBITTS consistently outperforms conventional algorithms by leveraging observed treatments to more accurately estimate expected rewards.

We consider a common case of the combinatorial semi-bandit problem, the $m$-set semi-bandit, where the learner exactly selects $m$ arms from the total $d$ arms. In the adversarial setting, the best regret bound, known to be $\mathcal{O}(\sqrt{nmd})$ for time horizon $n$, is achieved by the well-known Follow-the-Regularized-Leader (FTRL) policy. However, this requires to explicitly compute the arm-selection probabilities via optimizing problems at each time step and sample according to them. This problem can be avoided by the Follow-the-Perturbed-Leader (FTPL) policy, which simply pulls the $m$ arms that rank among the $m$ smallest (estimated) loss with random perturbation. In this paper, we show that FTPL with a Fr\'echet perturbation also enjoys the near optimal regret bound $\mathcal{O}(\sqrt{nm}(\sqrt{d\log(d)}+m^{5/6}))$ in the adversarial setting and approaches best-of-both-world regret bounds, i.e., achieves a logarithmic regret for the stochastic setting. Moreover, our lower bounds show that the extra factors are unavoidable with our approach; any improvement would require a fundamentally different and more challenging method.

We study the problem of designing procurement auctions for the strategic uncapacitated facility location problem: a company needs to procure a set of facility locations in order to serve its customers and each facility location is owned by a strategic agent. Each owner has a private cost for providing access to their facility (e.g., renting it or selling it to the company) and needs to be compensated accordingly. The goal is to design truthful auctions that decide which facilities the company should procure and how much to pay the corresponding owners, aiming to minimize the total cost, i.e., the monetary cost paid to the owners and the connection cost suffered by the customers (their distance to the nearest facility). We evaluate the performance of these auctions using the \emph{frugality ratio}. We first analyze the performance of the classic VCG auction in this context and prove that its frugality ratio is exactly $3$. We then leverage the learning-augmented framework and design auctions that are augmented with predictions regarding the owners' private costs. Specifically, we propose a family of learning-augmented auctions that achieve significant payment reductions when the predictions are accurate, leading to much better frugality ratios. At the same time, we demonstrate that these auctions remain robust even if the predictions are arbitrarily inaccurate, and maintain reasonable frugality ratios even under adversarially chosen predictions. We finally provide a family of ``error-tolerant'' auctions that maintain improved frugality ratios even if the predictions are only approximately accurate, and we provide upper bounds on their frugality ratio as a function of the prediction error.

In this paper, we propose a novel learning paradigm, termed *Chain-of-Model* (CoM), which incorporates the causal relationship into the hidden states of each layer as a chain style. thereby introducing great scaling efficiency in model training and inference flexibility in deployment.We introduce the concept of *Chain-of-Representation* (CoR), which formulates the hidden states at each layer as a combination of multiple sub-representations (i.e., chains). In each layer, each chain from the output representations can only view all of its preceding chains in the input representations. Consequently, the model built upon CoM framework can progressively scale up the model size by increasing the chains based on the previous models (i.e., chains), and offer multiple sub-models at varying sizes for elastic inference by using different chain numbers. Based on this principle, we devise *Chain-of-Language-Model* (CoLM), which incorporates the idea of CoM into each layer of Transformer architecture. Based on CoLM, we further introduce CoLM-Air by introducing a *KV sharing* mechanism, that computes all keys and values within the first chain and then shares across all chains. This design demonstrates additional extensibility, such as enabling seamless LM switching, prefilling acceleration and so on. Experimental results demonstrate our CoLM family can achieve comparable performance to the standard Transformer, while simultaneously enabling greater flexiblity, such as progressive scaling to improve training efficiency and offer multiple varying model sizes for elastic inference, paving a a new way toward building language models.

Data-driven algorithm selection is a powerful approach for choosing effective heuristics for computational problems. It operates by evaluating a set of candidate algorithms on a collection of representative training instances and selecting the one with the best empirical performance. However, running each algorithm on every training instance is computationally expensive, making scalability a central challenge. In practice, a common workaround is to evaluate algorithms on smaller proxy instances derived from the original inputs. However, this practice has remained largely ad hoc and lacked theoretical grounding. We provide the first theoretical foundations for this practice by formalizing the notion of size generalization: predicting an algorithm's performance on a large instance by evaluating it on a smaller, representative instance, subsampled from the original instance. We provide size generalization guarantees for three widely used clustering algorithms (single-linkage, k-means++, and Gonzalez's k-centers heuristic) and two canonical max-cut algorithms (Goemans-Williamson and Greedy). We characterize the subsample size sufficient to ensure that performance on the subsample reflects performance on the full instance, and our experiments support these findings.

Modern autonomous vehicle perception systems often struggle with occlusions and limited perception range. Previous studies have demonstrated the effectiveness of cooperative perception in extending the perception range and overcoming occlusions, thereby enhancing the safety of autonomous driving. In recent years, a series of cooperative perception datasets have emerged; however, these datasets primarily focus on cameras and LiDAR, neglecting 4D Radar—a sensor used in single-vehicle autonomous driving to provide robust perception in adverse weather conditions. In this paper, to bridge the gap created by the absence of 4D Radar datasets in cooperative perception, we present V2X-Radar, the first large-scale, real-world multi-modal dataset featuring 4D Radar. V2X-Radar dataset is collected using a connected vehicle platform and an intelligent roadside unit equipped with 4D Radar, LiDAR, and multi-view cameras. The collected data encompasses sunny and rainy weather conditions, spanning daytime, dusk, and nighttime, as well as various typical challenging scenarios. The dataset consists of 20K LiDAR frames, 40K camera images, and 20K 4D Radar data, including 350K annotated boxes across five categories. To support various research domains, we have established V2X-Radar-C for cooperative perception, V2X-Radar-I for roadside perception, and V2X-Radar-V for single-vehicle perception. Furthermore, we provide comprehensive benchmarks across these three sub-datasets.

Temporal non-stationarity, the phenomenon that time series distributions change over time, poses fundamental challenges to reliable time series forecasting. Intuitively, the complex time series can be decomposed into two factors, i.e., time-invariant and time-varying components, which indicate static and dynamic patterns, respectively. Nonetheless, existing methods often conflate the time-varying and time-invariant components, and jointly learn the combined long-term patterns and short-term fluctuations, leading to suboptimal performance facing distribution shifts. To address this issue, we initiatively propose a lightweight static-dynamic decomposition framework, TimeEmb, for time series forecasting. TimeEmb innovatively separates time series into two complementary components: (1) time-invariant component, captured by a novel global embedding module that learns persistent representations across time series, and (2) time-varying component, processed by an efficient frequency-domain filtering mechanism inspired by full-spectrum analysis in signal processing. Experiments on real-world datasets demonstrate that TimeEmb outperforms state-of-the-art baselines and requires fewer computational resources. We conduct comprehensive quantitative and qualitative analyses to verify the efficacy of static-dynamic disentanglement. This lightweight framework can also improve existing time-series forecasting methods with simple integration. To ease reproducibility, our code is available at https://github.com/showmeon/TimeEmb.

When simulating partial differential equations, hybrid solvers combine coarse numerical solvers with learned correctors. They promise accelerated simulations while adhering to physical constraints. However, as shown in our theoretical framework, directly applying learned corrections to solver outputs leads to significant autoregressive errors, which originate from amplified perturbations that accumulate during long-term rollouts, especially in chaotic regimes. To overcome this, we propose the Indirect Neural Corrector ($\mathrm{INC}$), which integrates learned corrections into the governing equations rather than applying direct state updates. Our key insight is that $\mathrm{INC}$ reduces the error amplification on the order of $\Delta t^{-1} + L$, where $\Delta t$ is the timestep and $L$ the Lipschitz constant. At the same time, our framework poses no architectural requirements and integrates seamlessly with arbitrary neural networks and solvers. We test $\mathrm{INC}$ in extensive benchmarks, covering numerous differentiable solvers, neural backbones, and test cases ranging from a 1D chaotic system to 3D turbulence. INC improves the long-term trajectory performance ($R^2$) by up to 158.7\%, stabilizes blowups under aggressive coarsening, and for complex 3D turbulence cases yields speed-ups of several orders of magnitude. INC thus enables stable, efficient PDE emulation with formal error reduction, paving the way for faster scientific and engineering simulations with reliable physics guarantees.

Pre-trained stable diffusion models (SD) have shown great advances in visual correspondence. In this paper, we investigate the capabilities of Diffusion Transformers (DiTs) for accurate dense correspondence. Distinct from SD, DiTs exhibit a critical phenomenon in which very few feature activations exhibit significantly larger values than others, known as massive activations, leading to uninformative representations and significant performance degradation for DiTs. The massive activations consistently concentrate at very few fixed dimensions across all image patch tokens, holding little local information. We analyze these dimension-concentrated massive activations and uncover that their concentration is inherently linked to the Adaptive Layer Normalization (AdaLN) in DiTs. Building on these findings, we propose the Diffusion Transformer Feature (DiTF), a training-free AdaLN-based framework that extracts semantically discriminative features from DiTs. Specifically, DiTF leverages AdaLN to adaptively localize and normalize massive activations through channel-wise modulation. Furthermore, a channel discard strategy is introduced to mitigate the adverse effects of massive activations. Experimental results demonstrate that our DiTF outperforms both DINO and SD-based models and establishes a new state-of-the-art performance for DiTs in different visual correspondence tasks (e.g., with +9.4\% on Spair-71k and +4.4\% on AP-10K-C.S.).

Conventional research on large language models (LLMs) has primarily focused on refining output distributions, while paying less attention to the decoding process that transforms these distributions into final responses. Recent advances, such as scaling the computation of inference time with reward models, have underscored the importance of decoding, but these methods often suffer from high computational costs and limited applicability. In this paper, we revisit LLM generation through the lens of recommender systems, conceptualizing the decoding process as analogous to the ranking stage in recommendation pipelines. From this perspective, we observe that both traditional decoding methods and reward models exhibit clear limitations such as redundancy. Motivated by this insight, we propose Language Ranker, a novel framework that introduces a lightweight module to rerank candidate responses using features extracted by the base model. Experiments across a wide range of tasks show that Language Ranker achieves performance comparable to large-scale reward models, while requiring only <0.5M additional parameters, significantly reducing the computational overhead during both training and inference stages. This highlights the efficiency and effectiveness of our method, showcasing its potential to fully unlock the capabilities of LLMs.

State entropy regularization has empirically shown better exploration and sample complexity in reinforcement learning (RL). However, its theoretical guarantees have not been studied. In this paper, we show that state entropy regularization improves robustness to structured and spatially correlated perturbations. These types of variation are common in transfer learning but often overlooked by standard robust RL methods, which typically focus on small, uncorrelated changes. We provide a comprehensive characterization of these robustness properties, including formal guarantees under reward and transition uncertainty, as well as settings where the method performs poorly. Much of our analysis contrasts state entropy with the widely used policy entropy regularization, highlighting their different benefits. Finally, from a practical standpoint, we illustrate that compared with policy entropy, the robustness advantages of state entropy are more sensitive to the number of rollouts used for policy evaluation.

Analysis of noninvasive microvascular blood flow can improve the diagnosis, prognosis, and management of many medical conditions, including cardiovascular, peripheral vascular, and sickle cell disease. This paper introduces SAM2Flow, an interactive optical flow estimation model to analyze long Oblique Back-illumination Microscopy (OBM) videos of *in vivo* microvascular flow. Inspired by the Segment Anything Model (SAM2), SAM2Flow enables users to specify regions of interest through user prompts for focused flow estimation. SAM2Flow also incorporates a dual memory attention mechanism, comprising both motion and context memory, to achieve efficient and stable flow estimations over extended video sequences. According to our experiments, SAM2Flow achieves SOTA accuracy in foreground optical flow estimation on both microvascular flow and public datasets, with a fast inference speed of over $20$ fps on $512\times512$ inputs. Based on the temporally robust flow estimation, SAM2Flow demonstrated superior performance in downstream physiological applications compared to existing models. The code and dataset will be published with this paper.

Unlocking spatial reasoning in Multimodal Large Language Models (MLLMs) is crucial for enabling intelligent interaction with 3D environments. While prior efforts often rely on explicit 3D inputs or specialized model architectures, we ask: can MLLMs reason about 3D space using only structured 2D representations derived from perception? In this work, we introduce Struct2D, a perception-guided prompting framework that combines bird’s-eye-view (BEV) images with object marks and object-centric metadata, optionally incorporating egocentric keyframes when needed. Using Struct2D, we conduct an in-depth zero-shot analysis of closed-source MLLMs (e.g., GPT-o3) and find that they exhibit surprisingly strong spatial reasoning abilities when provided with projected 2D inputs, effectively handling tasks such as relative direction estimation and route planning. Motivated by these findings, we construct a large-scale instructional tuning dataset, \textbf{Struct2D-Set}, using an automated pipeline that generates fine-grained QA pairs grounded in 3D indoor scenes. We then fine-tune an open-source MLLM (Qwen2.5VL) using Struct2D-Set, relying on noisy 3D perception rather than ground-truth annotations. Despite this, the tuned model achieves strong performance across multiple spatial reasoning benchmarks, including 3D question answering, captioning, and object grounding, spanning eight diverse reasoning categories. Our approach demonstrates that structured 2D inputs can effectively bridge perception and language reasoning in MLLMs—without requiring explicit 3D representations as input. We will release both our code and dataset to support future research.

We present the B-spline Encoded Action Sequence Tokenizer (BEAST), a novel action tokenizer that encodes action sequences into compact discrete or continuous tokens using B-splines. In contrast to existing action tokenizers based on vector quantization or byte pair encoding, BEAST requires no separate tokenizer training and consistently produces tokens of uniform length, enabling fast action sequence generation via parallel decoding. Leveraging our B-spline formulation, BEAST inherently ensures generating smooth trajectories without discontinuities between adjacent segments. We extensively evaluate BEAST by integrating it with three distinct model architectures: a Variational Autoencoder (VAE) with continuous tokens, a decoder-only Transformer with discrete tokens, and Florence-2, a pretrained Vision-Language Model with an encoder-decoder architecture, demonstrating BEAST's compatibility and scalability with large pretrained models. We evaluate BEAST across three established benchmarks consisting of 166 simulated tasks and on three distinct robot settings with a total of 8 real-world tasks. Experimental results demonstrate that BEAST (i) significantly reduces both training and inference computational costs, and (ii) consistently generates smooth, high-frequency control signals suitable for continuous control tasks while (iii) reliably achieves competitive task success rates compared to state-of-the-art methods.

Recent advances in deep learning have driven rapid progress in time series forecasting, yet many state-of-the-art models continue to struggle with robust performance in real-world applications, even when they achieve strong results on standard benchmark datasets. This persistent gap can be attributed to the black-box nature of deep learning architectures and the inherent limitations of current evaluation frameworks, which frequently lack the capacity to provide clear, quantitative insights into the specific strengths and weaknesses of different models, thereby complicating the selection of appropriate models for particular forecasting scenarios. To address these issues, we propose a synthetic data-driven evaluation paradigm, SynTSBench, that systematically assesses fundamental modeling capabilities of time series forecasting models through programmable feature configuration. Our framework isolates confounding factors and establishes an interpretable evaluation system with three core analytical dimensions: (1) temporal feature decomposition and capability mapping, which enables systematic evaluation of model capacities to learn specific pattern types; (2) robustness analysis under data irregularities, which quantifies noise tolerance thresholds and anomaly recovery capabilities; and (3) theoretical optimum benchmarking, which establishes performance boundaries for each pattern type—enabling direct comparison between model predictions and mathematical optima.Our experiments show that current deep learning models do not universally approach optimal baselines across all types of temporal features.

The expanding computational costs and limited resources underscore the critical need for budgeted-iteration training, which aims to achieve optimal learning within predetermined iteration budgets. While learning rate schedules fundamentally govern the performance of different networks and tasks, particularly in budgeted-iteration scenarios, their design remains largely heuristic, lacking theoretical foundations. In addition, the optimal learning rate schedule requires extensive trial-and-error selection, making the training process inefficient. In this work, we propose the Unified Budget-Aware (UBA) schedule, a theoretically grounded learning rate schedule that consistently outperforms commonly-used schedules among diverse architectures and tasks under different constrained training budgets. First, we bridge the gap by constructing a novel training budget-aware optimization framework, which explicitly accounts for the robustness to landscape curvature variations. From this framework, we derive the UBA schedule, controlled by a single hyper-parameter $\varphi$ that provides a trade-off between flexibility and simplicity, eliminating the need for per-network numerical optimization. Moreover, we establish a theoretical connection between $\varphi$ and the condition number, adding interpretation and justification to our approach. Besides, we prove the convergence for different values of $\varphi$. We offer practical guidelines for $\varphi$ selection via theoretical analysis and empirical results. Extensive experimental results show that UBA $\textit{consistently surpasses}$ the commonly-used schedules across diverse vision and language tasks, spanning network architectures (e.g., ResNet, OLMo) and scales, under different training-iteration budgets.

Despite remarkable progress in driving world models, their potential for autonomous systems remains largely untapped: the world models are mostly learned for world simulation and decoupled from trajectory planning. While recent efforts aim to unify world modeling and planning in a single framework, the synergistic facilitation mechanism of world modeling for planning still requires further exploration. In this work, we introduce a new driving paradigm named Policy World Model (PWM), which not only integrates world modeling and trajectory planning within a unified architecture, but is also able to benefit planning using the learned world knowledge through the proposed action-free future state forecasting scheme. Through collaborative state-action prediction, PWM can mimic the human-like anticipatory perception, yielding more reliable planning performance. To facilitate the efficiency of video forecasting, we further introduce a parallel token generation mechanism, equipped with a context-guided tokenizer and an adaptive dynamic focal loss. Despite utilizing only front camera input, our method matches or exceeds state-of-the-art approaches that rely on multi-view and multi-modal inputs. Code will be released at https://github.com/6550Zhao/Policy-World-Model.

Learning generalizable robotic manipulation policies remains a key challenge due to the scarcity of diverse real-world training data. While recent approaches have attempted to mitigate this through self-supervised representation learning, most either rely on 2D vision pretraining paradigms such as masked image modeling, which primarily focus on static semantics or scene geometry, or utilize large-scale video prediction models that emphasize 2D dynamics, thus failing to jointly learn the geometry, semantics, and dynamics required for effective manipulation. In this paper, we present DynaRend, a representation learning framework that learns 3D-aware and dynamics-informed triplane features via masked reconstruction and future prediction using differentiable volumetric rendering. By pretraining on multi-view RGB-D video data, DynaRend jointly captures spatial geometry, future dynamics, and task semantics in a unified triplane representation. The learned representations can be effectively transferred to downstream robotic manipulation tasks via action value map prediction. We evaluate DynaRend on two challenging benchmarks, RLBench and Colosseum, as well as in real-world robotic experiments, demonstrating substantial improvements in policy success rate, generalization to environmental perturbations, and real-world applicability across diverse manipulation tasks.