OpenRaiser/Intern-Atlas huggingface dataset:
Towards Expressive Spectral-Temporal Graph Neural Networks for Time Series Forecasting
Venue: Journal TPAMI 2025
Year: 2025

Time series forecasting has remained a focal point due to its vital applications in sectors such as energy management and transportation planning. Spectral-temporal graph neural network is a promising abstraction underlying most time series forecasting models that are based on graph neural networks (GNNs). However, more is needed to know about the underpinnings of this branch of methods. In this paper, we establish a theoretical framework that unravels the expressive power of spectral-temporal GNNs. Our results show that linear spectral-temporal GNNs are universal under mild assumptions, and their expressive power is bounded by our extended first-order Weisfeiler-Leman algorithm on discrete-time dynamic graphs. To make our findings useful in practice on valid instantiations, we discuss related constraints in detail and outline a theoretical blueprint for designing spatial and temporal modules in spectral domains. Building on these insights and to demonstrate how powerful spectral-temporal GNNs are based on our framework, we propose a simple instantiation named Temporal Graph Gegenbauer Convolution (TGGC), which significantly outperforms most existing models with only linear components and shows better model efficiency. Our findings pave the way for devising a broader array of provably expressive GNN-based models for time series.
MOVE Effective and Harmless Ownership Verification via Embedded External Features
Venue: Journal TPAMI 2025
Year: 2025

Currently, deep neural networks (DNNs) are widely adopted in different applications. Despite its commercial values, training a well-performing DNN is resource-consuming. Accordingly, the well-trained model is valuable intellectual property for its owner. However, recent studies revealed the threats of model stealing, where the adversaries can obtain a function-similar copy of the victim model, even when they can only query the model. In this paper, we propose an effective and harmless model ownership verification (MOVE) to defend against different types of model stealing simultaneously, without introducing new security risks. In general, we conduct the ownership verification by verifying whether a suspicious model contains the knowledge of defender-specified external features. Specifically, we embed the external features by modifying a few training samples with style transfer. We then train a meta-classifier to determine whether a model is stolen from the victim. This approach is inspired by the understanding that the stolen models should contain the knowledge of features learned by the victim model. In particular, \revision{we develop our MOVE method under both white-box and black-box settings and analyze its theoretical foundation to provide comprehensive model protection.} Extensive experiments on benchmark datasets verify the effectiveness of our method and its resistance to potential adaptive attacks. The codes for reproducing the main experiments of our method are available at https://github.com/THUYimingLi/MOVE.
Reliable Representation Learning for Incomplete Multi-View Missing Multi-Label Classification
Venue: Journal TPAMI 2025
Year: 2025

As a cross-topic of multi-view learning and multi-label classification, multi-view multi-label classification has gradually gained traction in recent years. The application of multi-view contrastive learning has further facilitated this process, however, the existing multi-view contrastive learning methods crudely separate the so-called negative pair, which largely results in the separation of samples belonging to the same category or similar ones. Besides, plenty of multi-view multi-label learning methods ignore the possible absence of views and labels. To address these issues, in this paper, we propose an incomplete multi-view missing multi-label classification network named RANK. In this network, a label-driven multi-view contrastive learning strategy is proposed to leverage supervised information to preserve the intra-view structure and perform the cross-view consistency alignment. Furthermore, we break through the view-level weights inherent in existing methods and propose a quality-aware sub-network to dynamically assign quality scores to each view of each sample. The label correlation information is fully utilized in the final multi-label cross-entropy classification loss, effectively improving the discriminative power. Last but not least, our model is not only able to handle complete multi-view multi-label data, but also works on datasets with missing instances and labels. Extensive experiments confirm that our RANK outperforms existing state-of-the-art methods.
Measuring the Validity of Clustering Validation Datasets
Venue: Journal TPAMI 2025
Year: 2025

Clustering techniques are often validated using benchmark datasets where class labels are used as ground-truth clusters. However, depending on the datasets, class labels may not align with the actual data clusters, and such misalignment hampers accurate validation. Therefore, it is essential to evaluate and compare datasets regarding their cluster-label matching (CLM), i.e., how well their class labels match actual clusters. Internal validation measures (IVMs), like Silhouette, can compare CLM over different labeling of the same dataset, but are not designed to do so across different datasets. We thus introduce Adjusted IVMs as fast and reliable methods to evaluate and compare CLM across datasets. We establish four axioms that require validation measures to be independent of data properties not related to cluster structure (e.g., dimensionality, dataset size). Then, we develop standardized protocols to convert any IVM to satisfy these axioms, and use these protocols to adjust six widely used IVMs. Quantitative experiments (1) verify the necessity and effectiveness of our protocols and (2) show that adjusted IVMs outperform the competitors, including standard IVMs, in accurately evaluating CLM both within and across datasets. We also show that the datasets can be filtered or improved using our method to form more reliable benchmarks for clustering validation.
Monte Carlo Neural PDE Solver for Learning PDEs via Probabilistic Representation
Venue: Journal TPAMI 2025
Year: 2025

In scenarios with limited available data, training the function-to-function neural PDE solver in an unsupervised manner is essential. However, the efficiency and accuracy of existing methods are constrained by the properties of numerical algorithms, such as finite difference and pseudo-spectral methods, integrated during the training stage. These methods necessitate careful spatiotemporal discretization to achieve reasonable accuracy, leading to significant computational challenges and inaccurate simulations, particularly in cases with substantial spatiotemporal variations. To address these limitations, we propose the Monte Carlo Neural PDE Solver (MCNP Solver) for training unsupervised neural solvers via the PDEs' probabilistic representation, which regards macroscopic phenomena as ensembles of random particles. Compared to other unsupervised methods, MCNP Solver naturally inherits the advantages of the Monte Carlo method, which is robust against spatiotemporal variations and can tolerate coarse step size. In simulating the trajectories of particles, we employ Heun's method for the convection process and calculate the expectation via the probability density function of neighbouring grid points during the diffusion process. These techniques enhance accuracy and circumvent the computational issues associated with Monte Carlo sampling. Our numerical experiments on convection-diffusion, Allen-Cahn, and Navier-Stokes equations demonstrate significant improvements in accuracy and efficiency compared to other unsupervised baselines. The source code will be publicly available at: https://github.com/optray/MCNP.
MAIR Improving Multi-View Attention Inverse Rendering With Implicit Lighting Representation
Venue: Journal TPAMI 2025
Year: 2025

In this paper, we propose a scene-level inverse rendering framework that uses multi-view images to decompose the scene into geometry, SVBRDF, and 3D spatially-varying lighting. While multi-view images have been widely used for object-level inverse rendering, scene-level inverse rendering has primarily been studied using single-view images due to the lack of a dataset containing high dynamic range multi-view images with ground-truth geometry, material, and spatially-varying lighting. To improve the quality of scene-level inverse rendering, a novel framework called Multi-view Attention Inverse Rendering (MAIR) was recently introduced. MAIR performs scene-level multi-view inverse rendering by expanding the OpenRooms dataset, designing efficient pipelines to handle multi-view images, and splitting spatially-varying lighting. Although MAIR showed impressive results, its lighting representation is fixed to spherical Gaussians, which limits its ability to render images realistically. Consequently, MAIR cannot be directly used in applications such as material editing. Moreover, its multi-view aggregation networks have difficulties extracting rich features because they only focus on the mean and variance between multi-view features. In this paper, we propose its extended version, called MAIR++. MAIR++ addresses the aforementioned limitations by introducing an implicit lighting representation that accurately captures the lighting conditions of an image while facilitating realistic rendering. Furthermore, we design a directional attention-based multi-view aggregation network to infer more intricate relationships between views. Experimental results show that MAIR++ not only achieves better performance than MAIR and single-view-based methods, but also displays robust performance on unseen real-world scenes.
Graph Foundation Models Concepts Opportunities and Challenges
Venue: Journal TPAMI 2025
Year: 2025

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine learning is witnessing a paradigm transition from shallow methods to more sophisticated deep learning approaches. The capabilities of foundation models in generalization and adaptation motivate graph machine learning researchers to discuss the potential of developing a new graph learning paradigm. This paradigm envisions models that are pre-trained on extensive graph data and can be adapted for various graph tasks. Despite this burgeoning interest, there is a noticeable lack of clear definitions and systematic analyses pertaining to this new domain. To this end, this article introduces the concept of Graph Foundation Models (GFMs), and offers an exhaustive explanation of their key characteristics and underlying technologies. We proceed to classify the existing work related to GFMs into three distinct categories, based on their dependence on graph neural networks and large language models. In addition to providing a thorough review of the current state of GFMs, this article also outlooks potential avenues for future research in this rapidly evolving domain.
The NeRF Signature Codebook-Aided Watermarking for Neural Radiance Fields
Venue: Journal TPAMI 2025
Year: 2025

Neural Radiance Fields (NeRF) have been gaining attention as a significant form of 3D content representation. With the proliferation of NeRF-based creations, the need for copyright protection has emerged as a critical issue. Although some approaches have been proposed to embed digital watermarks into NeRF, they often neglect essential model-level considerations and incur substantial time overheads, resulting in reduced imperceptibility and robustness, along with user inconvenience. In this paper, we extend the previous criteria for image watermarking to the model level and propose NeRF Signature, a novel watermarking method for NeRF. We employ a Codebook-aided Signature Embedding (CSE) that does not alter the model structure, thereby maintaining imperceptibility and enhancing robustness at the model level. Furthermore, after optimization, any desired signatures can be embedded through the CSE, and no fine-tuning is required when NeRF owners want to use new binary signatures. Then, we introduce a joint pose-patch encryption watermarking strategy to hide signatures into patches rendered from a specific viewpoint for higher robustness. In addition, we explore a Complexity-Aware Key Selection (CAKS) scheme to embed signatures in high visual complexity patches to enhance imperceptibility. The experimental results demonstrate that our method outperforms other baseline methods in terms of imperceptibility and robustness. The source code is available at: https://github.com/luo-ziyuan/NeRF_Signature.
BackMix Regularizing Open Set Recognition by Removing Underlying Fore-Background Priors
Venue: Journal TPAMI 2025
Year: 2025

Open set recognition (OSR) requires models to classify known samples while detecting unknown samples for real-world applications. Existing studies show impressive progress using unknown samples from auxiliary datasets to regularize OSR models, but they have proved to be sensitive to selecting such known outliers. In this paper, we discuss the aforementioned problem from a new perspective: Can we regularize OSR models without elaborately selecting auxiliary known outliers? We first empirically and theoretically explore the role of foregrounds and backgrounds in open set recognition and disclose that: 1) backgrounds that correlate with foregrounds would mislead the model and cause failures when encounters 'partially' known images; 2) Backgrounds unrelated to foregrounds can serve as auxiliary known outliers and provide regularization via global average pooling. Based on the above insights, we propose a new method, Background Mix (BackMix), that mixes the foreground of an image with different backgrounds to remove the underlying fore-background priors. Specifically, BackMix first estimates the foreground with class activation maps (CAMs), then randomly replaces image patches with backgrounds from other images to obtain mixed images for training. With backgrounds de-correlated from foregrounds, the open set recognition performance is significantly improved. The proposed method is quite simple to implement, requires no extra operation for inferences, and can be seamlessly integrated into almost all of the existing frameworks. The code is released on https://github.com/Vanixxz/BackMix.
Impact of Noisy Supervision in Foundation Model Learning
Venue: Journal TPAMI 2025
Year: 2025

Foundation models are usually pre-trained on large-scale datasets and then adapted to downstream tasks through tuning. However, the large-scale pre-training datasets, often inaccessible or too expensive to handle, can contain label noise that may adversely affect the generalization of the model and pose unexpected risks. This paper stands out as the first work to comprehensively understand and analyze the nature of noise in pre-training datasets and then effectively mitigate its impacts on downstream tasks. Specifically, through extensive experiments of fully-supervised and image-text contrastive pre-training on synthetic noisy ImageNet-1K, YFCC15M, and CC12M datasets, we demonstrate that, while slight noise in pre-training can benefit in-domain (ID) performance, where the training and testing data share a similar distribution, it always deteriorates out-of-domain (OOD) performance, where training and testing distributions are significantly different. These observations are agnostic to scales of pre-training datasets, pre-training noise types, model architectures, pre-training objectives, downstream tuning methods, and downstream applications. We empirically ascertain that the reason behind this is that the pre-training noise shapes the feature space differently. We then propose a tuning method (NMTune) to affine the feature space to mitigate the malignant effect of noise and improve generalization, which is applicable in both parameter-efficient and black-box tuning manners. We additionally conduct extensive experiments on popular vision and language models, including APIs, which are supervised and self-supervised pre-trained on realistic noisy data for evaluation. Our analysis and results demonstrate the importance of this novel and fundamental research direction, which we term as Noisy Model Learning.
Human as Points Explicit Point-Based 3D Human Reconstruction From Single-View RGB Images
Venue: Journal TPAMI 2025
Year: 2025

The latest trends in the research field of single-view human reconstruction devote to learning deep implicit functions constrained by explicit body shape priors. Despite the remarkable performance improvements compared with traditional processing pipelines, existing learning approaches still show different aspects of limitations in terms of flexibility, generalizability, robustness, and/or representation capability. To comprehensively address the above issues, in this paper, we investigate an explicit point-based human reconstruction framework called HaP, which adopts point clouds as the intermediate representation of the target geometric structure. Technically, our approach is featured by fully-explicit point cloud estimation, manipulation, generation, and refinement in the 3D geometric space, instead of an implicit learning process that can be ambiguous and less controllable. The overall workflow is carefully organized with dedicated designs of the corresponding specialized learning components as well as processing procedures. Extensive experiments demonstrate that our framework achieves quantitative performance improvements of 20% to 40% over current state-of-the-art methods, and better qualitative results. Our promising results may indicate a paradigm rollback to the fully-explicit and geometry-centric algorithm design, which enables to exploit various powerful point cloud modeling architectures and processing techniques. We will make our code and data publicly available at https://github.com/yztang4/HaP.
The Conditional Cauchy-Schwarz Divergence With Applications to Time-Series Data and Sequential Decision Making
Venue: Journal TPAMI 2025
Year: 2025

The Cauchy-Schwarz (CS) divergence was developed by Príncipe et al. in 2000. In this paper, we extend the classic CS divergence to quantify the closeness between two conditional distributions and show that the developed conditional CS divergence can be simply estimated by a kernel density estimator from given samples. We illustrate the advantages (e.g., rigorous faithfulness guarantee, lower computational complexity, higher statistical power, and much more flexibility in a wide range of applications) of our conditional CS divergence over previous proposals, such as the conditional KL divergence and the conditional maximum mean discrepancy. We also demonstrate the compelling performance of conditional CS divergence in two machine learning tasks related to time series data and sequential inference, namely time series clustering and uncertainty-guided exploration for sequential decision making. The code of conditional CS divergence is available at https://github.com/SJYuCNEL/conditional_CS_divergence.
Hard-Aware Instance Adaptive Self-Training for Unsupervised Cross-Domain Semantic Segmentation
Venue: Journal TPAMI 2025
Year: 2025

The divergence between labeled training data and unlabeled testing data is a significant challenge for recent deep learning models. Unsupervised domain adaptation (UDA) attempts to solve such problem. Recent works show that self-training is a powerful approach to UDA. However, existing methods have difficulty in balancing the scalability and performance. In this paper, we propose a hard-aware instance adaptive self-training framework for UDA on the task of semantic segmentation. To effectively improve the quality and diversity of pseudo-labels, we develop a novel pseudo-label generation strategy with an instance adaptive selector. We further enrich the hard class pseudo-labels with inter-image information through a skillfully designed hard-aware pseudo-label augmentation. Besides, we propose the region-adaptive regularization to smooth the pseudo-label region and sharpen the non-pseudo-label region. For the non-pseudo-label region, consistency constraint is also constructed to introduce stronger supervision signals during model optimization. Our method is so concise and efficient that it is easy to be generalized to other UDA methods. Experiments on GTA5 to Cityscapes, SYNTHIA to Cityscapes, and Cityscapes to Oxford RobotCar demonstrate the superior performance of our approach compared with the state-of-the-art methods. Our codes are available at https://github.com/bupt-ai-cz/HIAST.
Hulk A Universal Knowledge Translator for Human-Centric Tasks
Venue: Journal TPAMI 2025
Year: 2025

Human-centric perception tasks, e.g., pedestrian detection, skeleton-based action recognition, and pose estimation, have wide industrial applications, such as metaverse and sports analysis. There is a recent surge to develop human-centric foundation models that can benefit a broad range of human-centric perception tasks. While many human-centric foundation models have achieved success, they did not explore 3D and vision-language tasks for human-centric and required task-specific finetuning. These limitations restrict their application to more downstream tasks and situations. To tackle these problems, we present Hulk, the first multimodal human-centric generalist model, capable of addressing 2D vision, 3D vision, skeleton-based, and vision-language tasks without task-specific finetuning. The key to achieving this is condensing various task-specific heads into two general heads, one for discrete representations, \emph{e.g.,} languages, and the other for continuous representations, \emph{e.g.,} location coordinates. The outputs of two heads can be further stacked into four distinct input and output modalities. This uniform representation enables Hulk to treat diverse human-centric tasks as modality translation, integrating knowledge across a wide range of tasks. Comprehensive evaluations of Hulk on 12 benchmarks covering 8 human-centric tasks demonstrate the superiority of our proposed method, achieving state-of-the-art performance in 11 benchmarks. The code will be available on https://github.com/OpenGVLab/Hulk.