NeurIPS 2025 Papers

Black-box Unsupervised Domain Adaptation (BUDA) aims to transfer source domain knowledge to an unlabeled target domain, without accessing the source data or trained source model. Recent diffusion models have significantly advanced the ability to generate images from texts. While they can produce realistic visuals across diverse prompts and demonstrate impressive compositional generalization, these diffusion-based domain adaptation methods focus solely on composition, overlooking their sensitivity to textual nuances. In this work, we propose a novel diffusion-based method, called Rectifying-reasoning Errors of Diffusion (RrED) for BUDA. RrED is a two-stage learning strategy under diffusion supervision to effectively enhance the target model via the decomposed text and visual encoders from the diffusion model. Specifically, RrED consists of two stages: Diffusion-Target model Rectification (DTR) and Self-rectifying Reasoning Model (SRM). In DTR, we decouple the image and text encoders within the diffusion model: the visual encoder integrates our proposed feature-sensitive module to generate inferentially-enhanced visuals, while the text encoder enables multi-modal joint fine-tuning. In SRM, we prioritize the BUDA task itself, leveraging the target model's differential reasoning capability to rectify errors during learning. Extensive experiments confirm that RrED significantly outperforms other methods on four benchmark datasets, demonstrating its effectiveness in enhancing reasoning and generalization abilities.

Modern machine learning models struggle to maintain performance in dynamic environments where temporal distribution shifts, \textit{i.e., concept drift}, are prevalent. Temporal Domain Generalization (TDG) seeks to enable model generalization across evolving domains, yet existing approaches typically assume smooth incremental changes, struggling with complex real-world drifts involving both long-term structure (incremental evolution/periodicity) and local uncertainties. To overcome these limitations, we introduce FreKoo, which tackles these challenges through a novel frequency-domain analysis of parameter trajectories. It leverages the Fourier transform to disentangle parameter evolution into distinct spectral bands. Specifically, the low-frequency components with dominant dynamics are learned and extrapolated using the Koopman operator, robustly capturing diverse drift patterns including both incremental and periodic drifts. Simultaneously, potentially disruptive high-frequency variations are smoothed via targeted temporal regularization, preventing overfitting to transient noise and domain uncertainties. In addition, this dual-spectral strategy is rigorously grounded through theoretical analysis, providing stability guarantees for the Koopman prediction, a principled Bayesian justification for the high-frequency regularization, and culminating in a multiscale generalization bound connecting spectral dynamics to improved generalization. Extensive experiments demonstrate FreKoo's significant superiority over state-of-the-art TDG methods, particularly excelling in real-world streaming scenarios with complex drifts and uncertainties.

Aiming to generalize the well-trained gaze estimation model to new target domains, Cross-domain Gaze Estimation (CDGE) is developed for real-world application scenarios. Existing CDGE methods typically extract the domain-invariant features to mitigate domain shift in feature space, which is proved insufficient by Generalized Label Shift (GLS) theory. In this paper, we introduce a novel GLS perspective to CDGE and modelize the cross-domain problem by label and conditional shift problem. A GLS correction framework is presented and a feasible realization is proposed, in which a importance reweighting strategy based on truncated Gaussian distribution is introduced to overcome the continuity challenges in label shift correction. To embed the reweighted source distribution to conditional invariant learning, we further derive a probability-aware estimation of conditional operator discrepancy. Extensive experiments on standard CDGE tasks with different backbone models validate the superior generalization capability across domain and applicability on various models of proposed method.

Theoretical works on supervised transfer learning (STL)---where the learner has access to labeled samples from both source and target distributions---have for the most part focused on statistical aspects of the problem, while efficient optimization has received less attention. We consider the problem of designing an SGD procedure for STL that alternates sampling between source and target data, while maintaining statistical transfer guarantees without prior knowledge of the quality of the source data. A main algorithmic difficulty is in understanding how to design such an adaptive sub-sampling mechanism at each SGD step, to automatically gain from the source when it is informative, or bias towards the target and avoid negative transfer when the source is less informative. We show that, such a mixed-sample SGD procedure is feasible for general prediction tasks with convex losses, rooted in tracking an abstract sequence of constrained convex programs that serve to maintain the desired transfer guarantees. We instantiate these results in the concrete setting of linear regression with square loss, and show that the procedure converges, with $1/\sqrt{T}$ rate, to a solution whose statistical performance on the target is adaptive to the a priori unknown quality of the source. Experiments with synthetic and real datasets support the theory.

Semantic segmentation suffers from significant performance degradation when the trained network is applied to a different domain. To address this issue, unsupervised domain adaptation (UDA) has been extensively studied. Despite the effectiveness of selftraining techniques in UDA, they still overlook the explicit modeling of domain-shared feature extraction. In this paper, we propose DiDA, an unsupervised domain bridging approach for semantic segmentation. DiDA consists of two key modules: (1) Degradation-based Intermediate Domain Construction, which creates continuous intermediate domains through simple image degradation operations to encourage learning domain-invariant features as domain differences gradually diminish; (2) Semantic Shift Compensation, which leverages a diffusion encoder to disentangle and compensate for semantic shift information with degraded time-steps, preserving discriminative representations in the intermediate domains. As a plug-and-play solution, DiDA supports various degradation operations and seamlessly integrates with existing UDA methods. Extensive experiments on multiple domain adaptive semantic segmentation benchmarks demonstrate that DiDA consistently achieves significant performance improvements across all settings. Code is available at https://github.com/Woof6/DiDA.

In computational neuroscience, models representing single-neuron in-vivo activity have become essential for understanding the functional identities of individual neurons. These models, such as implicit representation methods based on Transformer architectures, contrastive learning frameworks, and variational autoencoders, aim to capture the invariant and intrinsic computational features of single neurons. The learned single-neuron computational role representations should remain invariant across changing environment and are affected by their molecular expression and location. Thus, the representations allow for in vivo prediction of the molecular cell types and anatomical locations of single neurons, facilitating advanced closed-loop experimental designs. However, current models face the problem of limited generalizability. This is due to batch effects caused by differences in experimental design, animal subjects, and recording platforms. These confounding factors often lead to overfitting, reducing the robustness and practical utility of the models across various experimental scenarios. Previous studies have not rigorously evaluated how well the models generalize to new animals or stimulus conditions, creating a significant gap in the field. To solve this issue, we present a comprehensive experimental protocol that explicitly evaluates model performance on unseen animals and stimulus types. Additionally, we propose a model-agnostic adversarial training strategy. In this strategy, a discriminator network is used to eliminate batch-related information from the learned representations. The adversarial framework forces the representation model to focus on the intrinsic properties of neurons, thereby enhancing generalizability. Our approach is compatible with all major single-neuron representation models and significantly improves model robustness. This work emphasizes the importance of generalization in single-neuron representation models and offers an effective solution, paving the way for the practical application of computational models in vivo. It also shows potential for building unified atlases based on single-neuron in vivo activity.

Unsupervised domain adaptation has emerged as a pivotal paradigm for mitigating distribution shifts in time series analysis. The fundamental challenge in time series domain adaptation arises from the entanglement of domain shifts and intricate temporal patterns. Crucially, the latent continuous-time dynamics, which are often inaccessible due to sensor constraints, are only partially observable through discrete time series from an explicit sensor-limited single view. This partial observability hinders the modeling of intricate temporal patterns, impeding domain invariant representation learning. To mitigate the limitation, we propose **EDEN** (multiple **E**xplicit **D**omain **E**nhanced adaptation **N**etwork), expanding the raw dataset to multi-scale explicit domains, multi-subspace explicit domains and multi-segment explicit domains. EDEN enhances domain adaptation with three coordinated modules tailored to integrate multiple explicit domains: (1) Multi-Scale Curriculum Adaptation implements progressive domain alignment from coarse-scale to fine-scale. (2) Quality-Aware Feature Fusion evaluates feature quality in multi-subspace explicit domains and adaptively integrates temporal-frequency features. (3) Temporal Coherence Learning enforces segment-level consistency with multi-segment explicit domains. The representation enriched by multiple explicit domains bridges the gap between partially observed discrete samples and the underlying implicit temporal dynamics, enabling more accurate approximation of implicit temporal patterns for effective cross-domain adaptation. Our comprehensive evaluation across 6 time series benchmarks demonstrates EDEN's consistent superiority, achieving average accuracy improvements of 4.8% over state-of-the-art methods in cross-domain scenarios. Code is available at the anonymous link: <https://github.com/mingyangliu1024/EDEN>.

Despite progress, deep neural networks still suffer performance declines under distribution shifts between training and test domains, leading to a substantial decrease in Quality of Experience (QoE) for applications. Existing test-time adaptation (TTA) methods are challenged by dynamic, multiple test distributions within batches. We observe that feature distributions across different domains inherently cluster into distinct groups with varying means and variances. This divergence reveals a critical limitation of previous global normalization strategies in TTA, which inevitably distort the original data characteristics. Based on this insight, we propose Feature-based Instance Neighbor Discovery (FIND), which comprises three key components: Layer-Wise Feature Disentanglement (LFD), Feature-Aware Batch Normalization (FABN) and Selective FABN (S-FABN). LFD stably captures features with similar distributions at each layer by constructing graph structures; while FABN optimally combines source statistics with test-time distribution-specific statistics for robust feature representation. Finally, S-FABN determines which layers require feature partitioning and which can remain unified, thus enhancing the efficiency of inference. Extensive experiments demonstrate that FIND significantly outperforms existing methods, achieving up to approximately 30\% accuracy improvement in dynamic scenarios while maintaining computational efficiency. The source code is available at https://github.com/Peanut-255/FIND.

PU (Positive Unlabeled) learning is a variant of supervised classification learning in which the only labels revealed to the learner are of positively labeled instances. PU learning arises in many real-world applications. Most existing work relies on the simplifying assumption that the positively labeled training data is drawn from the restriction of the data generating distribution to positively labeled instances and/or that the proportion of positively labeled points (a.k.a. the class prior) is known apriori to the learner. This paper provides a theoretical analysis of the statistical complexity of PU learning under a wider range of setups. Unlike most prior work, our study does not assume that the class prior is known to the learner. We prove upper and lower bounds on the required sample sizes (of both the positively labeled and the unlabeled samples).

Source-free domain adaptation (SFDA) is a challenging task that tackles domain shifts using only a pre-trained source model and unlabeled target data. Existing SFDA methods are restricted by the fundamental limitation of source-target domain discrepancy. Non-generation SFDA methods suffer from unreliable pseudo-labels in challenging scenarios with large domain discrepancies, while generation-based SFDA methods are evidently degraded due to enlarged domain discrepancies in creating pseudo-source data. To address this limitation, we propose a novel generation-based framework named Diffusion-Driven Progressive Target Manipulation (DPTM) that leverages unlabeled target data as references to reliably generate and progressively refine a pseudo-target domain for SFDA. Specifically, we divide the target samples into a trust set and a non-trust set based on the reliability of pseudo-labels to sufficiently and reliably exploit their information. For samples from the non-trust set, we develop a manipulation strategy to semantically transform them into the newly assigned categories, while simultaneously maintaining them in the target distribution via a latent diffusion model. Furthermore, we design a progressive refinement mechanism that progressively reduces the domain discrepancy between the pseudo-target domain and the real target domain via iterative refinement. Experimental results demonstrate that DPTM outperforms existing methods by a large margin and achieves state-of-the-art performance on four prevailing SFDA benchmark datasets with different scales. Remarkably, DPTM can significantly enhance the performance by up to 18.6\% in scenarios with large source-target gaps.

Simulation of high-order nonlinear system requires extensive computational resources, especially in modern VLSI backend design where bifurcation-induced instability and chaos-like transient behaviors pose challenges. We present S-Crescendo - a nested transformer weaving framework that synergizes S-domain with neural operators for scalable time-domain prediction in high-order nonlinear networks, alleviating the computational bottlenecks of conventional solvers via Newton-Raphson method. By leveraging the partial-fraction decomposition of an n-th order transfer function into first-order modal terms with repeated poles and residues, our method bypasses the conventional Jacobian matrix-based iterations and efficiently reduces computational complexity from cubic $O(n^3)$ to linear $O(n)$.The proposed architecture seamlessly integrates an S-domain encoder with an attention-based correction operator to simultaneously isolate dominant response and adaptively capture higher-order non-linearities. Validated on order-1 to order-10 networks, our method achieves up to 0.99 test-set \(R^2\) accuracy against HSPICE golden waveforms and accelerates simulation by up to 18\(\times\), providing a scalable, physics-aware framework for high-dimensional nonlinear modeling.

In domain adaption (DA), joint maximum mean discrepancy (JMMD), as a famous distribution-distance metric, aims to measure joint probability distribution difference between the source domain and target domain, while it is still not fully explored and especially hard to be applied into a subspace-learning framework as its empirical estimation involves a tensor-product operator whose partial derivative is difficult to obtain. To solve this issue, we deduce a concise JMMD based on the Representer theorem that avoids the tensor-product operator and obtains two essential findings. First, we reveal the uniformity of JMMD by proving that previous marginal, class conditional, and weighted class conditional probability distribution distances are three special cases of JMMD with different label reproducing kernels. Second, inspired by graph embedding, we observe that the similarity weights, which strengthen the intra-class compactness in the graph of Hilbert Schmidt independence criterion (HSIC), take opposite signs in the graph of JMMD, revealing why JMMD degrades the feature discrimination. This motivates us to propose a novel loss JMMD-HSIC by jointly considering JMMD and HSIC to promote discrimination of JMMD. Extensive experiments on several cross-domain datasets could demonstrate the validity of our revealed theoretical results and the effectiveness of our proposed JMMD-HSIC.

In recent years, face-based deep-learning gaze estimation methods have achieved significant advancements. However, while face images provide supplementary information beneficial for gaze inference, the substantial extraneous information they contain also increases the risk of overfitting during model training and compromises generalization capability. To alleviate this problem, we propose the 3DPE-Gaze framework, explicitly modeling 3D facial priors for feature decoupling and generalized gaze estimation. The 3DPE-Gaze framework consists of two core modules: the 3D Geometric Prior Module (3DGP) incorporating the FLAME model to parameterize facial structures and gaze-irrelevant facial appearances while extracting gaze features; the Semantic Concept Alignment Module (SCAM) separates gaze-related and unrelated concepts through CLIP-guided contrastive learning. Finally, the 3DPE-Gaze framework combines 3D facial landmark as prior for generalized gaze estimation. Experimental results show that 3DPE-Gaze outperforms existing state-of-the-art methods on four major cross-domain tasks, with particularly outstanding performance in challenging scenarios such as lighting variations, extreme head poses, and glasses occlusion.

This paper introduces **ReservoirTTA**, a novel plug–in framework designed for prolonged test–time adaptation (TTA) in scenarios where the test domain continuously shifts over time, including cases where domains recur or evolve gradually. At its core, ReservoirTTA maintains a reservoir of domain-specialized models—an adaptive test-time model ensemble—that both detects new domains via online clustering over style features of incoming samples and routes each sample to the appropriate specialized model, and thereby enables domain-specific adaptation. This multi-model strategy overcomes key limitations of single model adaptation, such as catastrophic forgetting, inter-domain interference, and error accumulation, ensuring robust and stable performance on sustained non-stationary test distributions. Our theoretical analysis reveals key components that bound parameter variance and prevent model collapse, while our plug–in TTA module mitigates catastrophic forgetting of previously encountered domains. Extensive experiments on scene-level corruption benchmarks (ImageNet-C, CIFAR-10/100-C), object-level style shifts (DomainNet-126, PACS), and semantic segmentation (Cityscapes→ACDC) — covering recurring and continuously evolving domain shifts — show that ReservoirTTA substantially improves adaptation accuracy and maintains stable performance across prolonged, recurring shifts, outperforming state-of-the-art methods. Our code is publicly available at https://github.com/LTS5/ReservoirTTA.

Unsupervised domain adaptive hashing has emerged as a promising approach for efficient and memory-friendly cross-domain retrieval. It leverages the model learned on labeled source domains to generate compact binary codes for unlabeled target domain samples, ensuring that semantically similar samples are mapped to nearby points in the Hamming space. Existing methods typically apply domain adaptation techniques to the feature space or the Hamming space, especially pseudo-labeling and feature alignment. However, the inherent noise of pseudo-labels and the insufficient exploration of complementary knowledge across spaces hinder the ability of the adapted model. To address these challenges, we propose a Vision-language model assisted Pseudo-labeling and Dual Space adaptation (VPDS) method. Motivated by the strong zero-shot generalization capabilities of pre-trained vision-language models (VLMs), VPDS leverages VLMs to calibrate pseudo-labels, thereby mitigating pseudo-label bias. Furthermore, to simultaneously utilize the semantic richness of high-dimensional feature space and preserve discriminative efficiency of low-dimensional Hamming space, we introduce a dual space adaptation approach that performs independent alignment within each space. Extensive experiments on three benchmark datasets demonstrate that VPDS consistently outperforms existing methods in both cross-domain and single-domain retrieval tasks, highlighting its effectiveness and superiority.

In the big data era, the computer vision field benefits from large-scale datasets such as LAION-2B, LAION-400M, and ImageNet-21K, Kinetics, on which popular models like the ViT and ConvNeXt series have been pre-trained, acquiring substantial knowledge. However, numerous downstream tasks in specialized and data-limited scientific domains continue to pose significant challenges. In this paper, we propose a novel Cluster Attention Adapter (CLAdapter), which refines and adapts the rich representations learned from large-scale data to various data-limited downstream tasks. Specifically, CLAdapter introduces attention mechanisms and cluster centers to personalize the enhancement of transformed features through distribution correlation and transformation matrices. This enables models fine-tuned with CLAdapter to learn distinct representations tailored to different feature sets, facilitating the models' adaptation from rich pre-trained features to various downstream scenarios effectively. In addition, CLAdapter's unified interface design allows for seamless integration with multiple model architectures, including CNNs and Transformers, in both 2D and 3D contexts. Through extensive experiments on 10 datasets spanning domains such as generic, multimedia, biological, medical, industrial, agricultural, environmental, geographical, materials science, out-of-distribution (OOD), and 3D analysis, CLAdapter achieves state-of-the-art performance across diverse data-limited scientific domains, demonstrating its effectiveness in unleashing the potential of foundation vision models via adaptive transfer. Code is available at https://github.com/qklee-lz/CLAdapter.

Label shift adaptation aims to recover target class priors when the labelled source distribution $P$ and the unlabelled target distribution $Q$ share $P(X \mid Y) = Q(X \mid Y)$ but $P(Y) \neq Q(Y)$. Classical black‑box shift estimators invert an empirical confusion matrix of a frozen classifier, producing a brittle point estimate that ignores sampling noise and similarity among classes. We present Graph‑Smoothed Bayesian BBSE (GS‑B$^3$SE), a fully probabilistic alternative that places Laplacian–Gaussian priors on both target log‑priors and confusion‑matrix columns, tying them together on a label‑similarity graph. The resulting posterior is tractable with HMC or a fast block Newton–CG scheme. We prove identifiability, $N^{-1/2}$ contraction, variance bounds that shrink with the graph’s algebraic connectivity, and robustness to Laplacian misspecification. We also reinterpret GS‑B$^3$SE through information geometry, showing that it generalizes existing shift estimators.

Mixture-of-Experts (MoE) models achieve a favorable trade-off between performance and inference efficiency by activating only a subset of experts. However, the memory overhead of storing all experts remains a major limitation, especially in large-scale MoE models such as DeepSeek-R1 (671B). In this study, we investigate domain specialization and expert redundancy in large-scale MoE models and uncover a consistent behavior we term~\emph{few-shot expert localization}, with only a few in-domain demonstrations, the model consistently activates a sparse and stable subset of experts on tasks within the same domain. Building on this observation, we propose a simple yet effective pruning framework, \textbf{EASY-EP}, that leverages a few domain-specific demonstrations to identify and retain only the most relevant experts. EASY-EP comprises two key components: \textbf{output-aware expert importance assessment} and \textbf{expert-level token contribution estimation}. The former evaluates the importance of each expert for the current token by considering the gating scores and L2 norm of the outputs of activated experts, while the latter assesses the contribution of tokens based on representation similarities before and after routed experts. Experiments on DeepSeek-R1 and DeepSeek-V3-0324 show that our method can achieve comparable performances and $2.99\times$ throughput under the same memory budget as the full model, with only half the experts. Our code is available at https://github.com/RUCAIBox/EASYEP.

Improving robustness of the Segment Anything Model (SAM) to input degradations is critical for its deployment in high-stakes applications such as autonomous driving and robotics. Our approach to this challenge prioritizes three key aspects: first, parameter efficiency to maintain the inherent generalization capability of SAM; second, fine-grained and input-aware robustification to precisely address the input corruption; and third, adherence to standard training protocols for ease of training. To this end, we propose gated-rank adaptation (GaRA). GaRA introduces lightweight adapters into intermediate layers of the frozen SAM, where each adapter dynamically adjusts the effective rank of its weight matrix based on the input by selectively activating (rank-1) components of the matrix using a learned gating module. This adjustment enables fine-grained and input-aware robustification without compromising the generalization capability of SAM. Our model, GaRA-SAM, significantly outperforms prior work on all robust segmentation benchmarks. In particular, it surpasses the previous best IoU score by up to 21.3%p on ACDC, a challenging real corrupted image dataset.