Multi-task test-time adaptation (MT-TTA) aims to adapt pre-trained models to dynamic environments during multi-task inference by leveraging unlabeled test data. This task is particularly challenging as different tasks respond divergently to distribution shifts, and mixed input streams containing both in-distribution (ID) and out-of-distribution (OOD) samples make the models after test-time adaptation prone to catastrophic forgetting of ID knowledge. Although the existing methods like M-TENT extend the classic test entropy minimization (TENT) by minimizing multi-task entropies and employing task-average gradient to adapt a model, it suffers from two key limitations: 1) the average gradient strategy proposed by M-TENT may exacerbate multi-task test-time optimization conflicts, harming individual tasks when gradients are directionally non-consensual; 2) aggressive updates on mixed ID/OOD data cause severe forgetting of ID knowledge. In this paper, we theoretically establish a formal connection between multi-task loss differences and test-time performance under the first-order Taylor analysis, demonstrating that consensual multi-task entropy reductions are likely to increase the performance, while non-consensual ones might decrease the performance. To this end, we propose Consensus-driven Constrained Multi-Task Test-Time Adaptation (CoCo-MT-TTA), consisting of 1) multi-task gradient consensus adaptation, which aligns cross-task gradient directions to seek a consensus gradient; 2) multi-task plasticity-constraint adaptation, which constrains parameter updates using second-moment statistics to preserve ID knowledge. Extensive experiments on benchmark datasets, including CelebA and PlantData, demonstrate that our method achieves an absolute improvement of up to 16.02% in mean ID/OOD F1-score (Mean I&O) under domain shifts over non-adapted models, outperforming the recent baselines.
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Large vision-language models such as CLIP have shown strong zero-shot classification performance by aligning images and text in a shared embedding space. However, CLIP models often develop multimodal spurious biases, the undesirable tendency to rely on spurious features. For example, CLIP may infer object types in images based on frequently co-occurring backgrounds rather than the object's core features. This bias significantly impairs the robustness of pre-trained CLIP models on out-of-distribution data, where such cross-modal associations no longer hold. Existing methods for mitigating multimodal spurious bias typically require fine-tuning on downstream data or prior knowledge of the bias, which undermines the out-of-the-box usability of CLIP. In this paper, we first theoretically analyze the impact of multimodal spurious bias in zero-shot classification. Based on this insight, we propose Spuriousness-Aware Guided Exploration (SAGE), a simple and effective method that mitigates spurious bias via guided prompt selection. SAGE requires no training, fine-tuning, or external annotations. It explores on a space of prompt templates and selects the prompts that induces the largest semantic separation between classes, thereby improving worst-group robustness. Extensive experiments on four real-world benchmark datasets and five popular backbone models demonstrate that SAGE consistently improves zero-shot performance and generalization, outperforming previous zero-shot approaches without any external knowledge or model updates.
Recommender systems are widely required and deployed to address real-world problems. In this paper, we study a new yet challenging real-world setting for recommender systems, where only user browsing histories are available without any explicit feedback. No item acquisition information, e.g., purchasing or rating, is given. By assuming that user browsing sequences are likely to contain the items to acquire, we draw an analogy to the setting of partial label learning in weakly supervised learning. This enables us to train reliable recommender systems only using browsing histories. We term the proposed method as Partial Acquisition Recommender System (PARS). Empirical results on real-world benchmark datasets show the effectiveness of the proposed method. Surprisingly, we also show that the proposed method even surpasses some baselines using item acquisition information.
Equivariant Atomic and Lattice Modeling Using Geometric Deep Learning for Crystal Structure Optimization
PDF ↗Structure optimization, which yields the relaxed structure (minimum‑energy state), is essential for reliable materials property calculations, yet traditional ab initio approaches such as density‑functional theory (DFT) are computationally intensive. Machine learning (ML) has emerged to alleviate this bottleneck but suffers from two major limitations: (i) existing models operate mainly on atoms, leaving lattice vectors implicit despite their critical role in structural optimization; and (ii) they often rely on multi-stage, non-end-to-end workflows that are prone to error accumulation. Here, we present E³Relax, an end-to-end equivariant graph neural network that maps an unrelaxed crystal directly to its relaxed structure. E³Relax promotes both atoms and lattice vectors to graph nodes endowed with dual scalar–vector features, enabling unified and symmetry‑preserving modeling of atomic displacements and lattice deformations. A layer‑wise supervision strategy forces every network depth to make a physically meaningful refinement, mimicking the incremental convergence of DFT while preserving a fully end‑to‑end pipeline. We evaluate E³Relax on four benchmark datasets and demonstrate that it achieves remarkable accuracy and efficiency. Through DFT validations, we show that the structures predicted by E³Relax are energetically favorable, making them suitable as high-quality initial configurations to accelerate DFT calculations.
Gaussian Processes (GPs), as a nonparametric learning method, offer flexible modeling capabilities and calibrated uncertainty quantification for function approximations. Additionally, GPs support online learning by efficiently incorporating new data with polynomial-time computation, making them well-suited for safety-critical dynamical systems that require rapid adaptation. However, the inference and online updates of exact GPs, when processing streaming data, incur cubic computation time and quadratic storage memory complexity, limiting their scalability to large datasets in real-time settings. In this paper, we propose a streaming kernel-induced progressively generated expert framework of Gaussian processes (SkyGP) that addresses both computational and memory constraints by maintaining a bounded set of experts, while inheriting the learning performance guarantees from exact Gaussian processes. Furthermore, two SkyGP variants are introduced, each tailored to a specific objective, either maximizing prediction accuracy (SkyGP-Dense) or improving computational efficiency (SkyGP-Fast). The effectiveness of SkyGP is validated through extensive benchmarks and real-time control experiments demonstrating its superior performance compared to state-of-the-art approaches.
Federated foundation models represent a new paradigm to jointly fine-tune pre-trained foundation models across clients. It is still a challenge to fine-tune foundation models for a small group of new users or specialized scenarios, which typically involve limited data compared to the large-scale data used in pre-training. In this context, the trade-off between personalization and federation becomes more sensitive. To tackle these, we proposed a bi-level personalization framework for federated fine-tuning on foundation models. Specifically, we conduct personalized fine-tuning on the client-level using its private data, and then conduct a personalized aggregation on the server-level using similar users measured by client-specific task vectors. Given the personalization information gained from client-level fine-tuning, the server-level personalized aggregation can gain group-wise personalization information while mitigating the disturbance of irrelevant or interest-conflict clients with non-IID data. The effectiveness of the proposed algorithm has been demonstrated by extensive experimental analysis in benchmark datasets.
Out-of-Context Misinformation Detection via Variational Domain-Invariant Learning with Test-Time Training
PDF ↗Out-of-context misinformation (OOC) is a low-cost form of misinformation in news reports, which refers to place authentic images into out-of-context or fabricated image-text pairings. This problem has attracted significant attention from researchers in recent years. Current methods focus on assessing image-text consistency or generating explanations. However, these approaches assume that the training and test data are drawn from the same distribution. When encountering novel news domains, models tend to perform poorly due to the lack of prior knowledge. To address this challenge, we propose Variational Domain-Invariant Learning with Test-Time Training (VDT) framework to enhance the domain adaptation capability for OOC misinformation detection. Domain-Invariant Variational Align module is employed to jointly encodes source and target domain data to learn a separable distributional space and domain-invariant features. For preserving semantic integrity, we utilize domain consistency constraint module to reconstruct the source and target domain latent distribution. During testing phase, we adopt the test-time training strategy and confidence-variance filtering module to dynamically updating the VAE encoder and classifier, facilitating the model's adaptation to the target domain distribution. Extensive experiments conducted on the benchmark dataset NewsCLIPpings demonstrate that our method outperforms state-of-the-art baselines under most domain adaptation settings.
With the deep integration of artificial intelligence and interactive technology, Graphical User Interface (GUI) Agent, as the carrier connecting goal-oriented natural language and real-world devices, has received widespread attention from the community. Contemporary benchmarks aim to evaluate the comprehensive capabilities of GUI agents in GUI operation tasks, generally determining task completion solely by inspecting the final screen state. However, GUI operation tasks consist of multiple chained steps while not all critical information is presented in the final few pages. Although a few research has begun to incorporate intermediate steps into evaluation, accurately and automatically capturing this process information still remains an open challenge. To address this weakness, we introduce ProBench, a comprehensive mobile benchmark with over 200 challenging GUI tasks covering widely-used scenarios. Remaining the traditional State-related Task evaluation, we extend our dataset to include Process-related Task and design a specialized evaluation method. A newly introduced Process Provider automatically supplies accurate process information, enabling presice assessment of agent's performance. Our evaluation of advanced GUI agents reveals significant limitations for real-world GUI scenarios. These shortcomings are prevalent across diverse models, including both large-scale generalist models and smaller, GUI-specific models. A detailed error analysis further exposes several universal problems, outlining concrete directions for future improvements.
The multi-view clustering methods based on tensor regression can make full use of the potential structural information between views and achieve data-level fusion. However, existing tensor regression-based approaches for anchor graph often overlook the probabilistic nature of anchor graph, focusing solely on sample labels while ignoring the influence of anchor labels on clustering results. To overcome these limitations, we introduce Tensorized Label Learning via Balanced Tensor Regression (TLL-BTR). Our key idea is to exploit the probabilistic nature of the anchor graph by regarding the sample labels as a projection tensor that maps the anchor graph into the label space, thereby producing anchor labels. By enforcing constraints on these anchor labels, we guide the concurrent learning of sample labels and achieve co-label learning between anchors and samples. To prevent trivial solutions, we maximize the nuclear norm to promote an even distribution of samples across clusters. Extensive experiments on benchmark datasets demonstrate that TLL-BTR consistently outperforms state-of-the-art methods.
Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often computationally expensive. Recently, data-driven methods have emerged as alternatives, but they frequently suffer from error accumulation and limited physical consistency, especially in multiphysics and complex geometries. To address these challenges, we propose PEGNet, a Physics-Embedded Graph Network that incorporates PDE-guided message passing to redesign the graph neural network architecture. By embedding key PDE dynamics like convection, viscosity, and diffusion into distinct message functions, the model naturally integrates physical constraints into its forward propagation, producing more stable and physically consistent solutions. Additionally, a hierarchical architecture is employed to capture multi-scale features, and physical regularization is integrated into the loss function to further enforce adherence to governing physics. We evaluated PEGNet on benchmarks, including custom datasets for respiratory airflow and drug delivery, showing significant improvements in long-term prediction accuracy and physical consistency over existing methods.
MULTIBENCH++: A Unified and Comprehensive Multimodal Fusion Benchmarking Across Specialized Domains
PDF ↗Although multimodal fusion has made significant progress, its advancement is severely hindered by the lack of adequate evaluation benchmarks. Current fusion methods are typically evaluated on a small selection of public datasets, a limited scope that inadequately represents the complexity and diversity of real-world scenarios, potentially leading to biased evaluations. This issue presents a twofold challenge. On one hand, models may overfit to the biases of specific datasets, hindering their generalization to broader practical applications. On the other hand, the absence of a unified evaluation standard makes fair and objective comparisons between different fusion methods difficult. Consequently, a truly universal and high-performance fusion model has yet to emerge. To address these challenges, we have developed a large-scale, domain-adaptive benchmark for multimodal evaluation. This benchmark integrates over 30 datasets, encompassing 15 modalities and 20 predictive tasks across key application domains. To complement this, we have also developed an open-source, unified, and automated evaluation pipeline that includes standardized implementations of state-of-the-art models and diverse fusion paradigms. Leveraging this platform, we have conducted large-scale experiments, successfully establishing new performance baselines across multiple tasks. This work provides the academic community with a crucial platform for rigorous and reproducible assessment of multimodal models, aiming to propel the field of multimodal artificial intelligence to new heights.
Human-defined creativity is highly abstract, posing a challenge for multimodal large language models (MLLMs) to comprehend and assess creativity that aligns with human judgments. The absence of an existing benchmark further exacerbates this dilemma. To this end, we propose CreBench, which consists of two key components: 1) an evaluation benchmark covering the multiple dimensions from creative idea to process to products; 2) CreMIT (Creativity Multimodal Instruction Tuning dataset), a multimodal creativity evaluation dataset, consisting of 2.2K diverse-sourced multimodal data, 79.2K human feedbacks and 4.7M multityped instructions. Specifically, to ensure MLLMs can handle diverse creativity-related queries, we prompt GPT to refine the human feedback to activate stronger creativity assessment capabilities. CreBench serves as a foundation for building MLLMs that understand human-aligned creativity. Based on the CreBench, we fine-tune open-source general MLLMs, resulting in CreExpert, a multimodal creativity evaluation expert model. Extensive experiments demonstrate that the proposed CreExpert models achieve significantly better alignment with human creativity evaluation compared to state-ofthe-art MLLMs, including the most advanced GPT-4V and Gemini-Pro-Vision.
FuseMine: Robust Multi-Modal Compound-Protein Interaction Prediction via Differential Attention Feature Mining
PDF ↗Accurate prediction of compound protein interactions (CPIs) is crucial for drug discovery. However, existing deep learning-based methods suffer from hidden biases and poor cross-domain generalization, leading to spurious correlations and inadequate representation of unseen compound-protein pairs. To address these limitations, we propose FuseMine, a multimodal deep learning framework that jointly leverages molecular structures and biological sequences for reliable CPI prediction. Specifically, FuseMine adopts a dual-representation strategy for each molecule. It employs a convolutional encoder to capture structural features, combined with pretrained large language models for extracting semantic information from sequences. We propose a novel Multi-modal Feature Orchestration Aggregation (MFOA) module that enables deep and synergistic fusion between the structural features and the sequential semantics of molecules, effectively capturing the complementary patterns across modalities. Additionally, we design a Reduction Differential Feature Mining (RDFM) module to further enhance the representation of discriminative features, thereby improving the model’s generalization capability. Extensive experiments on multiple benchmark datasets demonstrate that our framework consistently outperforms state-of-the-art methods in both intra-domain and cross-domain scenarios. These results highlight the synergistic value of combining structural and sequential data for CPIs.
Multiple clustering aims to discover diverse latent structures from different perspectives, yet existing methods generate exhaustive clusterings without discerning user interest, necessitating laborious manual screening. Current multi-modal solutions suffer from static semantic rigidity: predefined candidate words fail to adapt to dataset-specific concepts, and fixed fusion strategies ignore evolving feature interactions. To overcome these limitations, we propose Multi-DProxy, a novel multi-modal dynamic proxy learning framework that leverages cross-modal alignment through learnable textual proxies. Multi-DProxy introduces 1) gated cross-modal fusion that synthesizes discriminative joint representations by adaptively modeling feature interactions. 2) dual-constraint proxy optimization where user interest constraints enforce semantic consistency with domain concepts while concept constraints employ hard example mining to enhance cluster discrimination. 3) dynamic candidate management that refines textual proxies through iterative clustering feedback. Therefore, Multi-DProxy not only effectively captures a user's interest through proxies but also enables the identification of relevant clusterings with greater precision. Extensive experiments demonstrate state-of-the-art performance with significant improvements over existing methods across a broad set of multi-clustering benchmarks.
Multi-modal entity alignment aims to identify equivalent entities across different multi-modal knowledge graphs (MMKGs). While prior work has achieved notable progress through improved multi-modal encoding and cross-modal fusion techniques, two critical challenges remain unresolved. First, due to the heterogeneous and often inconsistent sources from which MMKGs are constructed, the quality and informativeness of modalities vary significantly across entities, leading to the modality weighting problem. Second, existing cross-modal fusion mechanisms predominantly emphasize modality-shared information, often at the expense of modality-specific signals that are also essential for precise alignment. To address these issues, we propose HUMEA, a novel framework that integrates hierarchical Mixture-of-Experts (MoE) with unimodal distillation. HUMEA consists of: (1) A hierarchical MoE module comprising intra-modal and inter-modal experts, which adaptively modulates modality contributions by capturing entity representations at fine-to-coarse semantic granularities. In addition, we introduce a contrastive mutual information loss to enhance expert diversity and reduce redundancy. (2) A unimodal distillation strategy that preserves modality-specific information in the fused representations through single-modality alignment and distillation, achieving a balanced integration of shared and unique modality features. Extensive experiments on two benchmark datasets, FB15K-DB15K and FB15K-YAGO15K, demonstrate state-of-the-art performance, validating the effectiveness of our approach.
Multi-View Clustering (MVC) aims to enhance clustering performance by integrating multi-source complementary information. However, existing deep MVC methods face inherent challenges in balancing the learning of shared consensus representations with the preservation of view-specific information: independent encoders hinder effective cross-view collaboration, while a single shared encoder tends to sacrifice representation diversity. Although the recently introduced Mixture-of-Experts (MoE) model offers a novel approach to facilitating view collaboration, its flattened expert pool design often leads to entanglement between shared and specific information, and its routing mechanism limits collaboration potential by neglecting cross-view context. To address these challenges, this paper proposes a novel deep multi-view clustering framework—Decoupled Mixture-of-Experts with Context-Aware Routing for Multi-View Clustering (DMCAR-MVC). At its core is an innovative Decoupled MoE (D-MoE) architecture. We establish a public expert pool to learn cross-view shared representations while equipping each view with an independent private expert pool to capture its unique information, thereby structurally enforcing the decoupling of shared and specific representations. Building on this, we further design a Context-Aware Hierarchical Routing (CAHR) mechanism. When routing for the public expert pool, this mechanism introduces a global context vector to guide expert selection, enabling more efficient and globally informed cross-view collaboration. Finally, to optimize the model, we adopt a multi-level contrastive learning paradigm: on one hand, a cross-view alignment loss ensures semantic consistency in shared representations; on the other, an orthogonality constraint is imposed to further enhance separability between shared and specific representations. Extensive experiments on multiple benchmark datasets demonstrate that DMCAR-MVC significantly outperforms state-of-the-art methods across key clustering metrics. Additionally, comprehensive ablation studies thoroughly validate the effectiveness and necessity of each proposed component.
Expressive generative models have recently shown promise in offline reinforcement learning (RL) by capturing the complex, multimodal structure of dataset behavior. However, directly integrating these models into policy optimization introduces substantial computational and stability challenges due to the intricacies of their sampling processes. We introduce Flow Latent Policy (FLP), an offline RL framework that decouples expressivity from optimization by operating entirely in the latent space of a pre-trained, frozen flow-based behavior model. FLP learns a simple latent Gaussian policy whose samples are transformed through the flow to produce complex, behavior-aligned actions. This design enables closed-form behavior regularization via latent-space KL divergence and allows policy optimization without expensive backpropagation through the generative model. Experiments on the OGBench benchmark demonstrate that FLP achieves competitive or superior performance across diverse tasks, combining the benefits of expressive modeling and tractable optimization.
Facial Emotion Analysis (FEA) extends traditional facial emotion recognition by incorporating explainable, fine-grained reasoning. The task integrates three subtasks—emotion recognition, facial Action Unit (AU) recognition, and AU-based emotion reasoning—to jointly model affective states. While recent approaches leverage Vision-Language Models (VLMs) and achieve promising results, they face two critical limitations: (1) hallucinated reasoning, where VLMs generate plausible but inaccurate explanations due to insufficient emotion-specific knowledge; and (2) misalignment between emotion reasoning and recognition, caused by fragmented connections between observed facial features and final labels. We propose Facial-R1, a three-stage alignment framework that effectively addresses both challenges with minimal supervision. First, we employ instruction fine-tuning to establish basic emotional reasoning capability for reducing hallucinations. Second, we introduce reinforcement training guided by emotion and AU labels as reward signals, which explicitly aligns the generated reasoning process with the predicted emotion. Third, we design a data synthesis pipeline that iteratively leverages the prior stages to expand the training dataset, enabling scalable self-improvement of the model. Built upon this framework, we introduce FEA-20K, a benchmark dataset comprising 17,737 training and 1,688 test samples with fine-grained emotion analysis annotations. Extensive experiments across eight standard benchmarks demonstrate that Facial-R1 achieves state-of-the-art performance in FEA, with strong generalization and robust interpretability.
Decoupled Spatiotemporal Forecasting from Extreme Sparse Observations via Quantized Latent Space
PDF ↗Predicting spatiotemporal fields governed by partial differential equations (PDEs) from sparse sensor data is a critical and long-standing challenge in science and engineering. Recent deep learning approaches, particularly neural operators, have shown considerable promise in solving PDEs. However, their performance degrades significantly in the demanding regime of extreme sparsity, characterized by spatial sensor coverage of less than 1% and limited temporal observations. To overcome this limitation, we propose a novel framework that decouples the task into two stages: spatial reconstruction and temporal extrapolation. In the first stage, rather than reconstructing the high-dimensional physical field directly, our model learns to reconstruct the complete latent features from sparse observations—features that would otherwise be extracted from a dense field. This process is stabilized by a Vector Quantization (VQ) bottleneck, which discretizes the latent space. In the second stage, a decoder-only Transformer performs temporal extrapolation by autoregressively predicting the future sequence of these discrete latent indices. This design inherently allows the model to generalize to new initial conditions and varying forecast horizons, akin to standard autoregressive models. We validate our framework on three challenging benchmarks, achieving state-of-the-art (SOTA) performance under severe sparsity constraints. Furthermore, we introduce a challenging benchmark dataset based on fire dynamics simulations. On this benchmark, our model successfully forecasts the field's evolution 30 frames into the future from a single timeframe with less than 0.1% spatial observations—a result that pushes well beyond the capabilities of existing methods.
Fair clustering is crucial for mitigating bias in unsupervised learning, yet existing algorithms often suffer from quadratic or super-quadratic computational complexity, rendering them impractical for large-scale datasets. To bridge this gap, we introduce the Anchor-based Fair Clustering Framework (AFCF), a novel, general, and plug-and-play framework that empowers arbitrary fair clustering algorithms with linear-time scalability. Our approach first selects a small but representative set of anchors using a novel fair sampling strategy. Then, any off-the-shelf fair clustering algorithm can be applied to this small anchor set. The core of our framework lies in a novel anchor graph construction module, where we formulate an optimization problem to propagate labels while preserving fairness. This is achieved through a carefully designed group-label joint constraint, which we prove theoretically ensures that the fairness of the final clustering on the entire dataset matches that of the anchor clustering. We solve this optimization efficiently using an ADMM-based algorithm. Extensive experiments on multiple large-scale benchmarks demonstrate that AFCF drastically accelerates state-of-the-art methods, which reduces computational time by orders of magnitude while maintaining strong clustering performance and fairness guarantees.