NeurIPS 2025 论文列表

Multi-Task Learning (MTL) in Neural Combinatorial Optimization (NCO) is a promising approach for training a unified model capable of solving multiple Vehicle Routing Problem (VRP) variants. However, existing Reinforcement Learning (RL)-based multi-task methods can only train light decoder models on small-scale problems, exhibiting limited generalization ability when solving large-scale problems. To overcome this limitation, this work introduces a novel multi-task learning method driven by knowledge distillation (MTL-KD), which enables efficient training of heavy decoder models with strong generalization ability. The proposed MTL-KD method transfers policy knowledge from multiple distinct RL-based single-task models to a single heavy decoder model, facilitating label-free training and effectively improving the model's generalization ability across diverse tasks. In addition, we introduce a flexible inference strategy termed Random Reordering Re-Construction (R3C), which is specifically adapted for diverse VRP tasks and further boosts the performance of the multi-task model. Experimental results on 6 seen and 10 unseen VRP variants with up to 1,000 nodes indicate that our proposed method consistently achieves superior performance on both uniform and real-world benchmarks, demonstrating robust generalization abilities. The code is available at [https://github.com/CIAM-Group/MTLKD](https://github.com/CIAM-Group/MTLKD).

Egocentric video-language pretraining has significantly advanced video representation learning. Humans perceive and interact with a fully 3D world, developing spatial awareness that extends beyond text-based understanding. However, most previous works learn from 1D text or 2D visual cues, such as bounding boxes, which inherently lack 3D understanding. To bridge this gap, we introduce EgoDTM, an Egocentric Depth- and Text-aware \textbf{M}odel, jointly trained through large-scale 3D-aware video pretraining and video-text contrastive learning. EgoDTM incorporates a lightweight 3D-aware decoder to efficiently learn 3D-awareness from pseudo depth maps generated by depth estimation models. To further facilitate 3D-aware video pretraining, we enrich the original brief captions with hand-object visual cues by organically combining several foundation models. Extensive experiments demonstrate EgoDTM's superior performance across diverse downstream tasks, highlighting its superior 3D-aware visual understanding. Code: \url{https://anonymous.4open.science/r/EgoDTM}.

Graph neural networks (GNNs) have achieved remarkable success in various domains but typically rely on centralized, static graphs, which limits their applicability in distributed, evolving environments. To address this limitation, we define the task of Federated Continual Graph Learning (FCGL), a paradigm for incremental learning on dynamic graphs distributed across decentralized clients. Existing methods, however, neither preserve graph topology during task transitions nor mitigate parameter conflicts in server‐side aggregation. To overcome these challenges, we introduce **MOTION**, a generalizable FCGL framework that integrates two complementary modules: the Graph Topology‐preserving Multi‐Sculpt Coarsening (G‐TMSC) module, which maintains the structural integrity of past graphs through a multi‐expert, similarity‐guided fusion process, and the Graph‐Aware Evolving Parameter Adaptive Engine (G‐EPAE) module, which refines global model updates by leveraging a topology‐sensitive compatibility matrix. Extensive experiments on real‐world datasets show that our approach improves average accuracy (AA) by an average of 30\% $\uparrow$ over the FedAvg baseline across five datasets while maintaining a negative $\downarrow$ average forgetting (AF) rate, significantly enhancing generalization and robustness under FCGL settings. The code is available for anonymous access at https://anonymous.4open.science/r/MOTION.

Plant traits such as leaf carbon content and leaf mass are essential variables in the study of biodiversity and climate change. However, conventional field sampling cannot feasibly cover trait variation at ecologically meaningful spatial scales. Machine learning represents a valuable solution for plant trait prediction across ecosystems, leveraging hyperspectral data from remote sensing. Nevertheless, trait prediction from hyperspectral data is challenged by label scarcity and substantial domain shifts (\eg across sensors, ecological distributions), requiring robust cross-domain methods. Here, we present GreenHyperSpectra, a pretraining dataset encompassing real-world cross-sensor and cross-ecosystem samples designed to benchmark trait prediction with semi- and self-supervised methods. We adopt an evaluation framework encompassing in-distribution and out-of-distribution scenarios. We successfully leverage GreenHyperSpectra to pretrain label-efficient multi-output regression models that outperform the state-of-the-art supervised baseline. Our empirical analyses demonstrate substantial improvements in learning spectral representations for trait prediction, establishing a comprehensive methodological framework to catalyze research at the intersection of representation learning and plant functional traits assessment. We also share the dataset\footnotemark[1], code and pretrained model objects for this study \href{https://github.com/echerif18/HyspectraSSL}{here}. \footnotetext[1]{GreenHyperSpectra dataset: \href{https://huggingface.co/datasets/Avatarr05/GreenHyperSpectra}{https://huggingface.co/datasets/Avatarr05/GreenHyperSpectra}}

Transformers have demonstrated remarkable capabilities in multi-step reasoning tasks. However, understandings of the underlying mechanisms by which they acquire these abilities through training remain limited, particularly from a theoretical standpoint. This work investigates how transformers learn to solve symbolic multi-step reasoning problems through chain-of-thought processes, focusing on path-finding in trees. We analyze two intertwined tasks: a backward reasoning task, where the model outputs a path from a goal node to the root, and a more complex forward reasoning task, where the model implements two-stage reasoning by first identifying the goal-to-root path and then reversing it to produce the root-to-goal path. Our theoretical analysis, grounded in the dynamics of gradient descent, shows that trained one-layer transformers can provably solve both tasks with generalization guarantees to unseen trees. In particular, our multi-phase training dynamics for forward reasoning elucidate how different attention heads learn to specialize and coordinate autonomously to solve the two subtasks in a single autoregressive path. These results provide a mechanistic explanation of how trained transformers can implement sequential algorithmic procedures. Moreover, they offer insights into the emergence of reasoning abilities, suggesting that when tasks are structured to take intermediate chain-of-thought steps, even shallow multi-head transformers can effectively solve problems that would otherwise require deeper architectures.

This paper addresses the problem of multi-risk measure agnostic multi-armed bandits in heavy-tailed reward settings. We propose a framework that leverages novel deviation inequalities for the $1$-Wasserstein distance to construct confidence intervals for Lipschitz risk measures. The distributional LCB (DistLCB) algorithm is introduced, which achieves asymptotic optimality by deriving the first lower bounds for risk measure aware bandits with explicit sub-optimality gap dependencies. The DistLCB is further extended to multi-risk objectives, which enables Pareto-optimal solutions that consider multiple aspects of reward distributions. Additionally, we provide a regret analysis that includes both gap-dependent and gap-independent bounds for multi-risk settings. Experiments validate the effectiveness of the proposed methods in synthetic and real-world applications.

The introduction of generative models has significantly advanced image super-resolution (SR) in handling real-world degradations. However, they often incur fidelity-related issues, particularly distorting textual structures. In this paper, we introduce a novel diffusion-based SR framework, namely TADiSR, which integrates text-aware attention and joint segmentation decoders to recover not only natural details but also the structural fidelity of text regions in degraded real-world images. Moreover, we propose a complete pipeline for synthesizing high-quality images with fine-grained full-image text masks, combining realistic foreground text regions with detailed background content. Extensive experiments demonstrate that our approach substantially enhances text legibility in super-resolved images, achieving state-of-the-art performance across multiple evaluation metrics and exhibiting strong generalization to real-world scenarios. Our code is available at [here](https://github.com/mingcv/TADiSR).

Selective classifiers improve model reliability by abstaining on inputs the model deems uncertain. However, few practical approaches achieve the gold-standard performance of a perfect-ordering oracle that accepts examples exactly in order of correctness. Our work formalizes this shortfall as the selective-classification gap and present the first finite-sample decomposition of this gap to five distinct sources of looseness: Bayes noise, approximation error, ranking error, statistical noise, and implementation- or shift-induced slack. Our analysis reveals that monotone post-hoc calibration—often believed to strengthen selective classifiers—has limited impact on closing this gap, since it rarely alters the model’s underlying score ranking. Bridging the gap therefore requires scoring mechanisms that can effectively reorder predictions rather than merely rescale them. We validate our decomposition on synthetic two-moons data and on real-world vision and language benchmarks, isolating each error component through controlled experiments. Our results show that (i) Bayes noise and limited model capacity can account for substantial gaps, (ii) only non-monotone or feature-aware calibrators consistently reduce the ranking term, and (iii) distribution shift introduces a separate slack that demands distributionally robust training. Together, our decomposition yields a quantitative error budget as well as actionable design guidelines that practitioners can use to build selective classifiers which approximate ideal oracle behavior more closely.

Multi-objective optimization problems (MOPs) are prevalent in numerous real-world applications. Recently, Pareto Set Learning (PSL) has emerged as a powerful paradigm for solving MOPs. PSL can produce a neural network for modeling the set of all Pareto optimal solutions. However, applying PSL to black-box objectives, particularly those exhibiting non-separability, high dimensionality, and/or other complex properties, remains very challenging. To address this issue, we propose leveraging evolution strategies (ESs), a class of specialized black-box optimization algorithms, within the PSL paradigm. Traditional ESs capture the complex dimensional dependencies less efficiently, which can significantly hinder their performance in PSL. To tackle this issue, we suggest encapsulating the dependencies within a neural network, which is then trained using a novel gradient estimation method. The proposed method, termed Neural-ES, is evaluated using a bespoke benchmark suite for black-box PSL. Experimental comparisons with other methods demonstrate the efficiency of Neural-ES, underscoring its ability to learn the Pareto sets of challenging black-box MOPs.

Bayesian Optimization (BO) is a powerful tool for optimizing expensive black-box objective functions. While extensive research has been conducted on the single-objective optimization problem, the multi-objective optimization problem remains challenging. In this paper, we propose MOBO-OSD, a multi-objective Bayesian Optimization algorithm designed to generate a diverse set of Pareto optimal solutions by solving multiple constrained optimization problems, referred to as MOBO-OSD subproblems, along orthogonal search directions (OSDs) defined with respect to an approximated convex hull of individual objective minima. By employing a well-distributed set of OSDs, MOBO-OSD ensures broad coverage of the objective space, enhancing both solution diversity and hypervolume performance. To further improve the density of the set of the Pareto optimal candidate solutions without requiring an excessive number of subproblems, we leverage a Pareto Front Estimation technique to generate additional solutions in the neighborhood of existing solutions. Additionally, MOBO-OSD supports batch optimization, enabling parallel function evaluations to accelerate the optimization process when resources are available. Through extensive experiments and analysis on a variety of synthetic and real-world benchmark functions with two to six objectives, we demonstrate that MOBO-OSD consistently outperform the state-of-the-art algorithms.

Handwritten Mathematical Expression Recognition (HMER) remains a persistent challenge in Optical Character Recognition (OCR) due to the inherent freedom of symbol layouts and variability in handwriting styles. Prior methods have faced performance bottlenecks by proposing isolated architectural modifications, making them difficult to integrate coherently into a unified framework. Meanwhile, recent advances in pretrained vision-language models (VLMs) have demonstrated strong cross-task generalization, offering a promising foundation for developing unified solutions. In this paper, we introduce Uni-MuMER, which fully fine-tunes a VLM for the HMER task without modifying its architecture, effectively injecting domain-specific knowledge into a generalist framework. Our method integrates three data-driven tasks: Tree-Aware Chain-of-Thought (Tree-CoT) for structured spatial reasoning, Error-Driven Learning (EDL) for reducing confusion among visually similar characters, and Symbol Counting (SC) for improving recognition consistency in long expressions. Experiments on the CROHME and HME100K datasets show that Uni-MuMER achieves super state-of-the-art performance, outperforming the best lightweight specialized model SSAN by 16.31\% and the top-performing VLM Gemini2.5-flash by 24.42\% under zero-shot setting. Our datasets, models, and code are open-sourced at: https://github.com/BFlameSwift/Uni-MuMER

The rapid development of LLMs has raised concerns about their potential misuse, leading to various watermarking schemes that typically offer high detectability. However, existing watermarking techniques often face trade-off between watermark detectability and generated text quality. In this paper, we introduce Learning to Watermark (LTW), a novel selective watermarking framework that leverages multi-objective optimization to effectively balance these competing goals. LTW features a lightweight network that adaptively decides when to apply the watermark by analyzing sentence embeddings, token entropy, and current watermarking ratio. Training of the network involves two specifically constructed loss functions that guide the model toward Pareto-optimal solutions, thereby harmonizing watermark detectability and text quality. By integrating LTW with two baseline watermarking methods, our experimental evaluations demonstrate that LTW significantly enhances text quality without compromising detectability. Our selective watermarking approach offers a new perspective for designing watermarks for LLMs and a way to preserve high text quality for watermarks. The code is publicly available at: https://github.com/fattyray/learning-to-watermark

Offline multi-objective optimization aims to identify Pareto-optimal solutions given a dataset of designs and their objective values. In this work, we propose a preference-guided diffusion model that generates Pareto-optimal designs by leveraging a classifier-based guidance mechanism. Our guidance classifier is a preference model trained to predict the probability that one design dominates another, directing the diffusion model toward optimal regions of the design space. Crucially, this preference model generalizes beyond the training distribution, enabling the discovery of Pareto-optimal solutions outside the observed dataset. We introduce a novel diversity-aware preference guidance, augmenting Pareto dominance preference with diversity criteria. This ensures that generated solutions are optimal and well-distributed across the objective space, a capability absent in prior generative methods for offline multi-objective optimization. We evaluate our approach on various continuous offline multi-objective optimization tasks and find that it consistently outperforms other inverse/generative approaches while remaining competitive with forward/ surrogate-based optimization methods. Our results highlight the effectiveness of classifier-guided diffusion models in generating diverse and high-quality solutions that approximate the Pareto front well.

Large language model (LLM)-powered multi-agent systems (MAS) have demonstrated cognitive and execution capabilities that far exceed those of single LLM agents, yet their capacity for self-evolution remains hampered by underdeveloped memory architectures. Upon close inspection, we are alarmed to discover that prevailing MAS memory mechanisms (1) are overly simplistic, completely disregarding the nuanced inter-agent collaboration trajectories, and (2) lack cross-trial and agent-specific customization, in stark contrast to the expressive memory developed for single agents. To bridge this gap, we introduce G-Memory, a hierarchical, agentic memory system for MAS inspired by organizational memory theory, which manages the lengthy MAS interaction via a three-tier graph hierarchy: insight, query, and interaction graphs. Upon receiving a new user query, G-Memory performs bi-directional memory traversal to retrieve both \textit{high-level, generalizable insights} that enable the system to leverage cross-trial knowledge, and \textit{fine-grained, condensed interaction trajectories} that compactly encode prior collaboration experiences. Upon task execution, the entire hierarchy evolves by assimilating new collaborative trajectories, nurturing the progressive evolution of agent teams. Extensive experiments across five benchmarks, three LLM backbones, and three popular MAS frameworks demonstrate that G-Memory improves success rates in embodied action and accuracy in knowledge QA by up to $20.89\\%$ and $10.12\\%$, respectively, without any modifications to the original frameworks.

The emergence of large language models (LLMs) has opened new opportunities for AI-driven chemical problem solving. However, existing chemical LLMs are typically tailored to specific task formats or narrow domains, limiting their capacity to integrate knowledge and generalize across tasks. Model merging offers a promising route for efficiently combining specialized LLMs into a unified model without access to original training data, which is urgently needed in the chemical domain where in-house data and privacy preservation are critical. However, effective model merging in the chemical domain poses unique challenges: (1) significant disparities among chemical LLMs due to task-specific specialization, and (2) a highly imbalanced distribution of chemical LLMs in targeted downstream tasks, where some are over-benchmarked while others remain underexplored. These challenges intensify model inconsistencies such as parameter interference and accumulated fine-tuning noise, which collectively hinder effective model merging. To this end, we propose Curriculum Model Merging (CMM), a curriculum-based framework that progressively merges expert chemical LLMs in a moderate and continual manner. CMM aims to harmonize their inconsistencies while meantime preserve their domain-specific expertise. Comprehensive experiments on two benchmark datasets show that CMM effectively consolidates task-specific expertise and outperforms the state-of-the-art methods by 29.03\% in terms of overall average performance. Moreover, CMM facilitates chemical knowledge generalization across prediction and generative tasks without sacrificing robustness, exhibiting promising merging performance under both expert-abundant and expert-sparse scenarios.

360 video captures the complete surrounding scenes with the ultra-large field of view of 360x180. This makes 360 scene understanding tasks, *e.g.*, segmentation and tracking, crucial for appications, such as autonomous driving, robotics. With the recent emergence of foundation models, the community is, however, impeded by the lack of large-scale, labelled real-world datasets. This is caused by the inherent spherical properties, *e.g.*, severe distortion in polar regions, and content discontinuities, rendering the annotation costly yet complex. This paper introduces **Leader360V**, the **first** large-scale (10K+), labeled real-world 360 video datasets for instance segmentation and tracking. Our datasets enjoy high scene diversity, ranging from indoor and urban settings to natural and dynamic outdoor scenes. To automate annotation, we design an automatic labeling pipeline, which subtly coordinates pre-trained 2D segmentors and large language models (LLMs) to facilitate the labeling. The pipeline operates in three novel stages. Specifically, in the **Initial Annotation Phase**, we introduce a Semantic- and Distortion-aware Refinement (**SDR**) module, which combines object mask proposals from multiple 2D segmentors with LLM-verified semantic labels. These are then converted into mask prompts to guide SAM2 in generating distortion-aware masks for subsequent frames. In the **Auto-Refine Annotation Phase**, missing or incomplete regions are corrected either by applying the SDR again or resolving the discontinuities near the horizontal borders. The **Manual Revision Phase** finally incorporates LLMs and human annotators to further refine and validate the annotations. Extensive user studies and evaluations demonstrate the effectiveness of our labeling pipeline. Meanwhile, experiments confirm that Leader360V significantly enhances model performance for 360 video segmentation and tracking, paving the way for more scalable 360 scene understanding. We release our dataset and code at {https://leader360v.github.io/Leader360V\_HomePage/} for better understanding.

We study realizable continual linear regression under random task orderings, a common setting for developing continual learning theory. In this setup, the worst-case expected loss after $k$ learning iterations admits a lower bound of $\Omega(1/k)$. However, prior work using an unregularized scheme has only established an upper bound of $O(1/k^{1/4})$, leaving a significant gap. Our paper proves that this gap can be narrowed, or even closed, using two frequently used regularization schemes: (1) explicit isotropic $\ell_2$ regularization, and (2) implicit regularization via finite step budgets. We show that these approaches, which are used in practice to mitigate forgetting, reduce to stochastic gradient descent (SGD) on carefully defined surrogate losses. Through this lens, we identify a fixed regularization strength that yields a near-optimal rate of $O(\log k / k)$. Formalizing and analyzing a generalized variant of SGD for time-varying functions, we derive an increasing regularization strength schedule that provably achieves an optimal rate of $O(1/k)$. This suggests that schedules that increase the regularization coefficient or decrease the number of steps per task are beneficial, at least in the worst case.

We address the challenge of Small Object Image Retrieval (SoIR), where the goal is to retrieve images containing a specific small object, in a cluttered scene. The key challenge in this setting is constructing a single image descriptor, for scalable and efficient search, that effectively represents all objects in the image. In this paper, we first analyze the limitations of existing methods on this challenging task and then introduce new benchmarks to support SoIR evaluation. Next, we introduce \ours (\oursMI), a novel retrieval framework which incorporates a dedicated multi-object pre-training phase. This is followed by a refinement process that leverages attention-based feature extraction with object masks, integrating them into a single unified image descriptor. Our \oursMI approach significantly outperforms existing retrieval methods and strong baselines, achieving notable improvements in both zero-shot and lightweight multi-object fine-tuning. We hope this work will pave the way and inspire further research to enhance retrieval performance for this highly practical task.

Multi-environment POMDPs (ME-POMDPs) extend standard POMDPs with discrete model uncertainty. ME-POMDPs represent a finite set of POMDPs that share the same state, action, and observation spaces, but may arbitrarily vary in their transition, observation, and reward models. Such models arise, for instance, when multiple domain experts disagree on how to model a problem. The goal is to find a single policy that is robust against any choice of POMDP within the set, *i.e.*, a policy that maximizes the worst-case reward across all POMDPs. We generalize and expand on existing work in the following way. First, we show that ME-POMDPs can be generalized to POMDPs *with sets of initial beliefs*, which we call *adversarial-belief POMDPs* (AB-POMDPs). Second, we show that any arbitrary ME-POMDP can be reduced to a ME-POMDP that only varies in its transition and reward functions or only in its observation and reward functions, while preserving (optimal) policies. We then devise exact and approximate (point-based) algorithms to compute robust policies for AB-POMDPs, and thus ME-POMDPs. We demonstrate that we can compute policies for standard POMDP benchmarks extended to the multi-environment setting.