NeurIPS 2025 论文列表

Single-source Domain Generalized Object Detection (SDGOD), as a cutting-edge research topic in computer vision, aims to enhance model generalization capability in unseen target domains through single-source domain training. Current mainstream approaches attempt to mitigate domain discrepancies via data augmentation techniques. However, due to domain shift and limited domain‑specific knowledge, models tend to fall into the pitfall of spurious correlations. This manifests as the model's over-reliance on simplistic classification features (e.g., color) rather than essential domain-invariant representations like object contours. To address this critical challenge, we propose the Cauvis (Causal Visual Prompts) method. First, we introduce a Cross-Attention Prompts module that mitigates bias from spurious features by integrating visual prompts with cross-attention. To address the inadequate domain knowledge coverage and spurious feature entanglement in visual prompts for single-domain generalization, we propose a dual-branch adapter that disentangles causal-spurious features while achieving domain adaptation via high-frequency feature extraction. Cauvis achieves state-of-the-art performance with 15.9–31.4\% gains over existing domain generalization methods on SDGOD datasets, while exhibiting significant robustness advantages in complex interference environments.

Test-time adaptation (TTA) aims to preserve model performance under distribution shifts. Yet, most existing methods rely on entropy minimization for confident predictions. This paper re-examines the sufficiency of entropy minimization by analyzing its dual relationship with energy. We view energy as a proxy for likelihood, where lower energy indicates higher observability under the learned distribution. We uncover that entropy and energy are tightly associated, controlled by the model’s confidence or ambiguity, and show that simultaneous reduction of both is essential. Importantly, we reveal that entropy minimization alone neither ensures energy reduction nor supports reliable likelihood estimation, and it requires explicit discriminative guidance to reach zero entropy. To combat these problems, we propose a twofold solution. First, we introduce a likelihood-based objective grounded in energy-based models, which reshape the energy landscape to favor test samples. For stable and scalable training, we adopt sliced score matching—a sampling-free, Hessian-insensitive approximation of Fisher divergence. Second, we enhance entropy minimization with a cross-entropy that treats the predicted class as a target to promote discriminability. By counterbalancing entropy and energy through the solution of multi-objective optimization, our unified TTA, ReTTA, outperforms existing entropy- or energy-based approaches across diverse distribution shifts.

Designing protein binders targeting specific sites, which requires to generate realistic and functional interaction patterns, is a fundamental challenge in drug discovery. Current structure-based generative models are limited in generating nterfaces with sufficient rationality and interpretability. In this paper, we propose **R**etrieval-**A**ugmented **Di**ffusion for **A**lig**n**ed interfa**ce** (**RADiAnce**), a new framework that leverages known interfaces to guide the design of novel binders. By unifying retrieval and generation in a shared contrastive latent space, our model efficiently identifies relevant interfaces for a given binding site and seamlessly integrates them through a conditional latent diffusion generator, enabling cross-domain interface transfer. Extensive exeriments show that **RADiAnce** significantly outperforms baseline models across multiple metrics, including binding affinity and recovery of geometries and interactions. Additional experimental results validate cross-domain generalization, demonstrating that retrieving interfaces from diverse domains, such as peptides, antibodies, and protein fragments, enhances the generation performance of binders for other domains. Our work establishes a new paradigm for protein binder design that successfully bridges retrieval-based knowledge and generative AI, opening new possibilities for drug discovery.

Low-Rank Adaptation (LoRA) has emerged as an effective technique for reducing memory overhead in fine-tuning large language models. However, it often suffers from sub-optimal performance compared with full fine-tuning since the update is constrained in the low-rank space. Recent variants such as LoRA-Pro attempt to mitigate this by adjusting the gradients of the low-rank matrices to approximate the full gradient. However, LoRA-Pro's solution is not unique, and different solutions can lead to significantly varying performance in ablation studies. Besides, to incorporate momentum or adaptive optimization design, approaches like LoRA-Pro must first compute the equivalent gradient, causing a higher memory cost close to full fine-tuning. A key challenge remains in integrating momentum properly into the low-rank space with lower memory cost. In this work, we propose AltLoRA, an alternating projection method that avoids the difficulties in gradient approximation brought by the joint update design, meanwhile integrating momentum without higher memory complexity. Our theoretical analysis provides convergence guarantees and further shows that AltLoRA enables stable feature learning and robustness to transformation invariance. Extensive experiments across multiple tasks demonstrate that AltLoRA outperforms LoRA and its variants, narrowing the gap toward full fine-tuning while preserving superior memory efficiency.

Low-Rank Adaptation (LoRA) is a popular method for parameter-efficient fine-tuning (PEFT) of generative models, valued for its simplicity and effectiveness. Despite recent enhancements, LoRA still suffers from a fundamental limitation: overfitting when the bottleneck is widened. It performs best at ranks 32–64, yet its accuracy stagnates or declines at higher ranks, still falling short of full fine-tuning (FFT) performance. We identify the root cause as LoRA’s structural bottleneck, which introduces gradient entanglement to the unrelated input channels and distorts gradient propagation. To address this, we introduce a novel structure, Granular Low-Rank Adaptation (GraLoRA) that partitions weight matrices into sub-blocks, each with its own low-rank adapter. With negligible computational or storage cost, GraLoRA overcomes LoRA’s limitations, effectively increases the representational capacity, and more closely approximates FFT behavior. Experiments on code generation, commonsense reasoning, mathematical reasoning, general language understanding, and image generation benchmarks show that GraLoRA consistently outperforms LoRA and other baselines, achieving up to +8.5\% absolute gain in Pass@1 on HumanEval+. These improvements hold across model sizes and rank settings, making GraLoRA a scalable and robust solution for PEFT.

Test-Time Adaptation (TTA) adjusts models using unlabeled test data to handle dynamic distribution shifts. However, existing methods rely on frequent adaptation and high computational cost, making them unsuitable for resource-constrained edge environments. To address this, we propose SNAP, a sparse TTA framework that reduces adaptation frequency and data usage while preserving accuracy. SNAP maintains competitive accuracy even when adapting based on only 1\% of the incoming data stream, demonstrating its robustness under infrequent updates. Our method introduces two key components: (i) Class and Domain Representative Memory (CnDRM), which identifies and stores a small set of samples that are representative of both class and domain characteristics to support efficient adaptation with limited data; and (ii) Inference-only Batch-aware Memory Normalization (IoBMN), which dynamically adjusts normalization statistics at inference time by leveraging these representative samples, enabling efficient alignment to shifting target domains. Integrated with five state-of-the-art TTA algorithms, SNAP reduces latency by up to 93.12\%, while keeping the accuracy drop below 3.3\%, even across adaptation rates ranging from 1\% to 50\%. This demonstrates its strong potential for practical use on edge devices serving latency-sensitive applications. The source code is available at https://github.com/chahh9808/SNAP.

Modern large language models (LLMs) achieve competitive performance across a wide range of natural language processing tasks through zero-shot or few-shot prompting. However, domain-specific tasks often still require fine-tuning, which is frequently hindered by data scarcity, i.e., collecting sufficient domain-specific data remains a practical challenge. A widely adopted solution is to generate synthetic data using LLMs by augmenting a small set of available domain-specific examples. In this work, we first identify fundamental limitations of such approach in terms of both data diversity and quality, particularly when relying on only a handful of domain-specific examples. We then propose our method, PANGEA, which leverages large-scale, publicly available general-purpose data---entirely unrelated to the target domain---to generate more diverse and higher-quality synthetic data. Our extensive experiments on domain-specific benchmarks, including GSM8K, MedQA, and FinQA, as well as a custom domain-specific language task, validate the effectiveness of our approach.

Designing optimal prompts and reasoning processes for large language models (LLMs) on domain-specific tasks is both necessary and challenging in real-world applications. Determining how to integrate domain knowledge, enhance reasoning efficiency, and even provide domain experts with refined knowledge integration hints are particularly crucial yet unresolved tasks. In this research, we propose Evolutionary Graph Optimization for Prompting (EGO-Prompt), an automated framework to designing better prompts, efficient reasoning processes and providing enhanced causal-informed process. EGO-Prompt begins with a general prompt and fault-tolerant initial Semantic Causal Graph (SCG) descriptions, constructed by human experts, which is then automatically refined and optimized to guide LLM reasoning. Recognizing that expert-defined SCGs may be partial or imperfect and that their optimal integration varies across LLMs, EGO-Prompt integrates a novel causal-guided textual gradient process in two steps: first, generating nearly deterministic reasoning guidance from the SCG for each instance, and second, adapting the LLM to effectively utilize the guidance alongside the original input. The iterative optimization algorithm further refines both the SCG and the reasoning mechanism using textual gradients with ground-truth. We tested the framework on real-world public health, transportation and human behavior tasks. EGO-Prompt achieves 7.32\%–12.61\% higher F1 than cutting-edge methods, and allows small models to reach the performence of larger models at under 20\% of the original cost. It also outputs a refined, domain-specific SCG that improves interpretability.

Low-rank adaptation (LoRA) has been widely adopted as a parameter-efficient technique for fine-tuning large-scale pre-trained models. However, it still lags behind full fine-tuning in performance, partly due to its insufficient exploitation of the geometric structure underlying low-rank manifolds. In this paper, we propose a geometry-aware extension of LoRA that uses a three-factor decomposition $USV^\top$. Analogous to the structure of singular value decomposition (SVD), it separates the adapter's input and output subspaces, $V$ and $U$, from the scaling factor $S$. Our method constrains $U$ and $V$ to lie on the Stiefel manifold, ensuring their orthonormality throughout the training. To optimize on the Stiefel manifold, we employ a flexible and modular geometric optimization design that converts any Euclidean optimizer to a Riemannian one. It enables efficient subspace learning while remaining compatible with existing fine-tuning pipelines. Empirical results across a wide range of downstream tasks, including commonsense reasoning, math and code generation, image classification, and image generation, demonstrate the superior performance of our approach against the recent state-of-the-art variants of LoRA. Code is available at https://github.com/SonyResearch/stella.

Low-Rank Adaptation (LoRA) methods have demonstrated considerable success in achieving parameter-efficient fine-tuning (PEFT) for Transformer-based foundation models. These methods typically fine-tune individual Transformer layers using independent LoRA adaptations. However, directly applying existing LoRA techniques to convolutional networks (ConvNets) yields unsatisfactory results due to the high correlation between the stacked sequential layers of ConvNets. To overcome this challenge, we introduce a novel framework called Correlated Low-Rank Adaptation (CoLoRA), which explicitly utilizes correlated low-rank matrices to model the inter-layer dependencies among convolutional layers. Additionally, to enhance tuning efficiency, we propose a parameter-free filtering method that enlarges the receptive field of LoRA, thus minimizing interference from non-informative local regions. Comprehensive experiments conducted across various mainstream vision tasks, including image classification, semantic segmentation, and object detection, illustrate that CoLoRA significantly advances the state-of-the-art PEFT approaches. Notably, our CoLoRA achieves superior performance with only 5\% of trainable parameters, surpassing full fine-tuning in the image classification task on the VTAB-1k dataset using ConvNeXt-S. Code is available at [https://github.com/VISION-SJTU/CoLoRA](https://github.com/VISION-SJTU/CoLoRA).

Scene understanding in adverse conditions, such as fog, snow, and night, is challenging due to the visual appearance degeneration. In this context, we propose a Cross-modal Semantic Compensation Adaptation method (CroPe) for scene understanding. Distinct from the existing methods, which only use the visual information to learn the domain-invariant features, CroPe establishes a visual-textual paradigm which provides textual semantic compensation for visual features, enabling the model to learn more consistent representations. We propose the Complementary Perceptual Text Generation (CPTG) module which generates a set of multi-level complementary-perceptive text embeddings incorporating both generalization and domain awareness. To achieve cross-modal semantic compensation, the Reverse Chain Text-Visual Fusion (RCTVF) module is developed. By the unified attention and reverse decoding chain, compensation information is successively fused to the visual features from the deep (semantic dense) to shallow (semantic sparse) features, maximizing compensation gain. CroPe yields competitive results under all adverse conditions and significantly improves the state-of-the-art performance by 6.5 mIoU for ACDC-Night dataset and 1.2 mIoU for ACDC-All dataset, respectively.

Recent work on latent diffusion models (LDMs) has focused almost exclusively on generative tasks, leaving their potential for discriminative transfer largely unexplored. We introduce Discriminative Vicinity Diffusion (DVD), a novel LDM-based framework for a more practical variant of source-free domain adaptation (SFDA): the source provider may share not only a pre-trained classifier but also an auxiliary latent diffusion module, trained once on the source data and never exposing raw source samples. DVD encodes each source feature’s label information into its latent vicinity by fitting a Gaussian prior over its k-nearest neighbors and training the diffusion network to drift noisy samples back to label-consistent representations. During adaptation, we sample from each target feature’s latent vicinity, apply the frozen diffusion module to generate source-like cues, and use a simple InfoNCE loss to align the target encoder to these cues, explicitly transferring decision boundaries without source access. Across standard SFDA benchmarks, DVD outperforms state-of-the-art methods. We further show that the same latent diffusion module enhances the source classifier’s accuracy on in-domain data and boosts performance in supervised classification and domain generalization experiments. DVD thus reinterprets LDMs as practical, privacy-preserving bridges for explicit knowledge transfer, addressing a core challenge in source-free domain adaptation that prior methods have yet to solve. Code is available on our Github: https://github.com/JingWang18/DVD-SFDA.

Large language models (LLMs) demonstrate impressive generalization abilities, yet adapting them effectively across multiple heterogeneous domains remains challenging due to inter-domain interference. To overcome this challenge, we propose a partition-based multi-stage fine-tuning framework designed to exploit inter-domain synergies while minimizing negative transfer. Our approach strategically partitions domains into subsets (stages) by balancing domain discrepancy, synergy, and model capacity constraints. We theoretically analyze the proposed framework and derive novel generalization bounds that justify our partitioning strategy. Extensive empirical evaluations on various language understanding tasks show that our method consistently outperforms state-of-the-art baselines.

Recent advancements in Large Language Models (LLMs) have emphasized the critical role of fine-tuning (FT) techniques in adapting LLMs to specific tasks, especially when retraining from scratch is computationally infeasible. Fine-tuning enables LLMs to leverage task- or domain-specific data, producing models that more effectively meet the requirements of targeted applications. However, con- ventional FT approaches often suffer from catastrophic forgetting and suboptimal data efficiency, limiting their real-world applicability. To address these challenges, this paper proposes DEAL, a novel framework that integrates Low-Rank Adapta- tion (LoRA) with a continuous fine-tuning strategy. By incorporating knowledge retention and adaptive parameter update modules, the framework mitigates the limitations of existing FT methods while maintaining efficiency. Experiments on 15 diverse datasets show that DEAL consistently outperforms baseline methods, yielding substantial gains in task accuracy and resource efficiency. These find- ings demonstrate the potential of our approach to advance continual adaptation in LLMs by enhancing task performance while improving resource efficiency. The source code is publicly available at https://github.com/Applied-Machine-Learning-Lab/DEAL.

Domain Adaptation of Black-box Predictors (DABP) transfers knowledge from a labeled source domain to an unlabeled target domain, without requiring access to either source data or source model. Common practices of DABP leverage reliable samples to suppress negative information about unreliable samples. However, there are still some problems: i) Excessive attention to reliable sample aggregation leads to premature overfitting; ii) Valuable information in unreliable samples is often overlooked. To address them, we propose a novel spatial learning approach, called Controlled Visual Hallucination via Thalamus-driven Decoupling Network (CVH-TDN). Specifically, CVH-TDN is the first work that introduces the thalamus-driven decoupling network in the visual task, relying on its connection with hallucination to control the direction of sample generation in feature space. CVH-TDN is composed of Hallucination Generation (HG), Hallucination Alignment (HA), and Hallucination Calibration (HC), aiming to explore the spatial relationship information between samples and hallucinations. Extensive experiments confirm that CVH-TDN achieves SOTA performance on four standard benchmarks.

Graph domain adaptation (GDA) is a fundamental task in graph machine learning, with techniques like shift-robust graph neural networks (GNNs) and specialized training procedures to tackle the distribution shift problem. Although these model-centric approaches show promising results, they often struggle with severe shifts and constrained computational resources. To address these challenges, we propose a novel model-free framework, GRADATE (GRAph DATa sElection), that selects the best training data from the source domain for the classification task on the target domain. GRADATE picks training samples without relying on any GNN model’s predictions or training recipes, leveraging optimal transport theory to capture and adapt to distribution changes. GRADATE is data-efficient, scalable and meanwhile complements existing model-centric GDA approaches. Through comprehensive empirical studies on several real-world graph-level datasets and multiple covariate shift types, we demonstrate that GRADATE outperforms existing selection methods and enhances off-the-shelf GDA methods with much fewer training data.

Domain generalization aims to train models that perform robustly on unseen target domains without access to target data. The realm of vision-language foundation model has opened a new venue owing to its inherent out-of-distribution generalization capability. However, the static alignment to class-level textual anchors remains insufficient to handle the dramatic distribution discrepancy from diverse domain-specific visual features. In this work, we propose a novel cross-domain Schrödinger Bridge (SB) method, namely SBGen, to handle this challenge, which explicitly formulates the stochastic semantic evolution, to gain better generalization to unseen domains. Technically, the proposed \texttt{SBGen} consists of three key components: (1) \emph{text-guided domain-aware feature selection} to isolate semantically aligned image tokens; (2) \emph{stochastic cross-domain evolution} to simulate the SB dynamics via a learnable time-conditioned drift; and (3) \emph{stochastic domain-agnostic interpolation} to construct semantically grounded feature trajectories. Empirically, \texttt{SBGen} achieves state-of-the-art performance on domain generalization in both classification and segmentation. This work highlights the importance of modeling domain shifts as structured stochastic processes grounded in semantic alignment.

Models for natural language and images benefit from data scaling behavior: the more data fed into the model, the better they perform. This 'better with more' phenomenon enables the effectiveness of large-scale pre-training on vast amounts of data. However, current graph pre-training methods struggle to scale up data due to heterogeneity across graphs. To achieve effective data scaling, we aim to develop a general model that is able to capture diverse data patterns of graphs and can be utilized to adaptively help the downstream tasks. To this end, we propose UniAug, a universal graph structure augmentor built on a diffusion model. We first pre-train a discrete diffusion model on thousands of graphs across domains to learn the graph structural patterns. In the downstream phase, we provide adaptive enhancement by conducting graph structure augmentation with the help of the pre-trained diffusion model via guided generation. By leveraging the pre-trained diffusion model for structure augmentation, we consistently achieve performance improvements across various downstream tasks in a plug-and-play manner. To the best of our knowledge, this study represents the first demonstration of a data-scaling graph structure augmentor on graphs across domains.

As one of the state-of-the-art parameter-efficient fine-tuning~(PEFT) methods, Low-Rank Adaptation (LoRA) enables model optimization with reduced computational cost through trainable low-rank matrix. However, the low-rank nature makes it prone to produce a decrease in the representation ability, leading to suboptimal performance. In order to break this limitation, we propose RidgeLoRA, a lightweight architecture like LoRA that incorporates novel architecture and matrix ridge enhanced full-rank approximation, to match the performance of full-rank training, while eliminating the need for high memory and a large number of parameters to restore the rank of matrices. We provide a rigorous mathematical derivation to prove that RidgeLoRA has a better upper bound on the representations than vanilla LoRA. Furthermore, extensive experiments across multiple domains demonstrate that RidgeLoRA achieves better performance than other LoRA variants, and can even match or surpass full-rank training.