Graph Neural Networks (GNN) endure catastrophic forgetting, undermining their capacity to preserve previously acquired knowledge amid the assimilation of novel information. Rehearsal-based techniques revisit historical examples, adopted as a principal strategy to alleviate this phenomenon. However, memory explosion and privacy infringements impose significant constraints on their utility. Non-Exemplar methods circumvent the prior issues through Prototype Replay (PR), yet feature drift presents new challenges. In this paper, our empirical findings reveal that Prototype Contrastive Learning (PCL) exhibits less pronounced drift than conventional PR. Drawing upon PCL, we propose Instance-Prototype Affinity Learning (IPAL), a novel paradigm for Non-Exemplar Continual Graph Learning (NECGL). Exploiting graph structural information, we formulate Topology-Integrated Gaussian Prototypes (TIGP), guiding feature distributions towards high-impact nodes to augment the model's capacity for assimilating new knowledge. Instance-Prototype Affinity Distillation (IPAD) safeguards task memory by regularizing discontinuities in class relationships. Moreover, we embed a Decision Boundary Perception (DBP) mechanism within PCL, fostering greater inter-class discriminability. Evaluations on four node classification benchmark datasets demonstrate that our method outperforms existing state-of-the-art methods, achieving a better trade-off between plasticity and stability.
Graph learning, or network inference, is a prominent problem in graph signal processing (GSP). GSP generalizes the Fourier transform to non-Euclidean domains, and graph learning is pivotal to applying GSP when these domains are unknown. With the recent prevalence of multi-way data, there has been growing interest in product graphs that naturally factorize dependencies across different ways. However, the types of graph products that can be learned are still limited for modeling diverse dependency structures. In this paper, we study the problem of learning a Kronecker-structured product graph from smooth signals. Unlike the more commonly used Cartesian product, the Kronecker product models dependencies in a more intricate, non-separable way, but posits harder constraints on the graph learning problem. To tackle this non-convex problem, we propose an alternating scheme to optimize each factor graph and provide theoretical guarantees for its asymptotic convergence. The proposed algorithm is also modified to learn factor graphs of the strong product. We conduct experiments on synthetic and real-world graphs and demonstrate our approach's efficacy and superior performance compared to existing methods.
Federated Graph Learning (FGL) is an emerging distributed learning paradigm that enables collaborative model training over decentralized graph-structured data while preserving local privacy. Existing FGL methods can be categorized into two optimization architectures: (1) the Server-Client (S-C) paradigm, where clients upload local models for server-side aggregation; and (2) the Client-Client (C-C) paradigm, which allows direct information exchange among clients to support personalized training. Compared to S-C, the C-C architecture better captures global graph knowledge and enables fine-grained optimization through customized peer-to-peer communication. However, current C-C methods often broadcast identical and redundant node embeddings, incurring high communication costs and privacy risks. To address this, we propose FedC4, a novel framework that combines graph Condensation with Client-Client Collaboration. Instead of transmitting raw node-level features, FedC4 distills each client's private graph into a compact set of synthetic node embeddings, reducing communication overhead and enhancing privacy. In addition, FedC4 introduces three modules that allow source clients to send distinct node representations tailored to target clients'graph structures, enabling personalized optimization with global guidance. Extensive experiments on eight real-world datasets show that FedC4 outperforms state-of-the-art baselines in both performance and communication efficiency.
There are various approaches to graph learning for data clustering, incorporating different spectral and structural constraints through diverse graph structures. Some methods rely on bipartite graph models, where nodes are divided into two classes: centers and members. These models typically require access to data for the center nodes in addition to observations from the member nodes. However, such additional data may not always be available in many practical scenarios. Moreover, popular Gaussian models for graph learning have demonstrated limited effectiveness in modeling data with heavy-tailed distributions, which are common in financial markets. In this paper, we propose a clustering method based on a bipartite graph model that addresses these challenges. First, it can infer clusters from incomplete data without requiring information about the center nodes. Second, it is designed to effectively handle heavy-tailed data. Numerical experiments using real financial data validate the efficiency of the proposed method for data clustering.
Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to achieve representations but they mostly fail to adapt models to out-of-distribution (OOD) samples. Although recent advances on OOD-oriented graph learning have discovered the invariant rationale on graphs, they still ignore three important issues, i.e., 1) the expanding atom patterns regarding environments on graphs lead to failures of invariant rationale based models, 2) the associations between discovered molecular subgraphs and corresponding properties are complex where causal substructures cannot fully interpret the labels. 3) the interactions between environments and invariances can influence with each other thus are challenging to be modeled. To this end, we propose a soft causal learning framework, to tackle the unresolved OOD challenge in molecular science, from the perspective of fully modeling the molecule environments and bypassing the invariant subgraphs. Specifically, we first incorporate chemistry theories into our graph growth generator to imitate expaned environments, and then devise an GIB-based objective to disentangle environment from whole graphs and finally introduce a cross-attention based soft causal interaction, which allows dynamic interactions between environments and invariances. We perform experiments on seven datasets by imitating different kinds of OOD generalization scenarios. Extensive comparison, ablation experiments as well as visualized case studies demonstrate well generalization ability of our proposal.
Large Language Models (LLMs) have achieved remarkable success across various domains. However, they still face significant challenges, including high computational costs for training and limitations in solving complex reasoning problems. Although existing methods have extended the reasoning capabilities of LLMs through structured paradigms, these approaches often rely on task-specific prompts and predefined reasoning processes, which constrain their flexibility and generalizability. To address these limitations, we propose a novel framework that leverages graph learning to enable more flexible and adaptive reasoning capabilities for LLMs. Specifically, this approach models the reasoning process of a problem as a graph and employs LLM-based graph learning to guide the adaptive generation of each reasoning step. To further enhance the adaptability of the model, we introduce a Graph Neural Network (GNN) module to perform representation learning on the generated reasoning process, enabling real-time adjustments to both the model and the prompt. Experimental results demonstrate that this method significantly improves reasoning performance across multiple tasks without requiring additional training or task-specific prompt design. Code can be found in https://github.com/zch65458525/L2T.
The comorbidities of hypertension impose a heavy burden on patients and society. Early identification is necessary to prompt intervention, but it remains a challenging task. This study aims to address this challenge by combining joint graph learning with network analysis. Motivated by this discovery, we develop a Conjoint Graph Representation Learning (CGRL) framework that: a) constructs two networks based on disease coding, including the patient network and the disease difference network. Three comorbidity network features were generated based on the basic difference network to capture the potential relationship between comorbidities and risk diseases; b) incorporates computational structure intervention and learning feature representation, CGRL was developed to predict the risks of diabetes and coronary heart disease in patients; and c) analysis the comorbidity patterns and exploring the pathways of disease progression, the pathological pathogenesis of diabetes and coronary heart disease may be revealed. The results show that the network features extracted based on the difference network are important, and the framework we proposed provides more accurate predictions than other strong models in terms of accuracy.
Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence of dedicated mechanisms for processing graph structures. Existing approaches predominantly integrate LLMs with Graph Neural Networks (GNNs), using GNNs as feature encoders or auxiliary components. However, directly encoding graph structures within LLMs has been underexplored, particularly in the context of large-scale graphs where token limitations hinder effective representation. To address these challenges, we propose SDM-InstructGLM, a novel instruction-tuned Graph Language Model (InstructGLM) framework that enhances scalability and efficiency without relying on GNNs. Our method introduces a similarity-degree-based biased random walk mechanism, which selectively samples and encodes graph information based on node-feature similarity and degree centrality, ensuring an adaptive and structured representation within the LLM. This approach significantly improves token efficiency, mitigates information loss due to random sampling, and enhances performance on graph-based tasks such as node classification and link prediction. Furthermore, our results demonstrate the feasibility of LLM-only graph processing, enabling scalable and interpretable Graph Language Models (GLMs) optimized through instruction-based fine-tuning. This work paves the way for GNN-free approaches to graph learning, leveraging LLMs as standalone graph reasoning models. Our source code is available on GitHub.
Partial label learning (PLL) is a significant weakly supervised learning framework, where each training example corresponds to a set of candidate labels and only one label is the ground-truth label. For the first time, this paper investigates the partial label clustering problem, which takes advantage of the limited available partial labels to improve the clustering performance. Specifically, we first construct a weight matrix of examples based on their relationships in the feature space and disambiguate the candidate labels to estimate the ground-truth label based on the weight matrix. Then, we construct a set of must-link and cannot-link constraints based on the disambiguation results. Moreover, we propagate the initial must-link and cannot-link constraints based on an adversarial prior promoted dual-graph learning approach. Finally, we integrate weight matrix construction, label disambiguation, and pairwise constraints propagation into a joint model to achieve mutual enhancement. We also theoretically prove that a better disambiguated label matrix can help improve clustering performance. Comprehensive experiments demonstrate our method realizes superior performance when comparing with state-of-the-art constrained clustering methods, and outperforms PLL and semi-supervised PLL methods when only limited samples are annotated. The code is publicly available at https://github.com/xyt-ml/PLC.
Federated Graph Learning (FGL) empowers clients to collaboratively train Graph neural networks (GNNs) in a distributed manner while preserving data privacy. However, FGL methods usually require that the graph data owned by all clients is homophilic to ensure similar neighbor distribution patterns of nodes. Such an assumption ensures that the learned knowledge is consistent across the local models from all clients. Therefore, these local models can be properly aggregated as a global model without undermining the overall performance. Nevertheless, when the neighbor distribution patterns of nodes vary across different clients (e.g., when clients hold graphs with different levels of heterophily), their local models may gain different and even conflict knowledge from their node-level predictive tasks. Consequently, aggregating these local models usually leads to catastrophic performance deterioration on the global model. To address this challenge, we propose FedHERO, an FGL framework designed to harness and share insights from heterophilic graphs effectively. At the heart of FedHERO is a dual-channel GNN equipped with a structure learner, engineered to discern the structural knowledge encoded in the local graphs. With this specialized component, FedHERO enables the local model for each client to identify and learn patterns that are universally applicable across graphs with different patterns of node neighbor distributions. FedHERO not only enhances the performance of individual client models by leveraging both local and shared structural insights but also sets a new precedent in this field to effectively handle graph data with various node neighbor distribution patterns. We conduct extensive experiments to validate the superior performance of FedHERO against existing alternatives.
The directed graph (digraph), as a generalization of undirected graphs, exhibits superior representation capability in modeling complex topology systems and has garnered considerable attention in recent years. Despite the notable efforts made by existing DiGraph Neural Networks (DiGNNs) to leverage directed edges, they still fail to comprehensively delve into the abundant data knowledge concealed in the digraphs. This data-level limitation results in model-level sub-optimal predictive performance and underscores the necessity of further exploring the potential correlations between the directed edges (topology) and node profiles (feature and labels) from a data-centric perspective, thereby empowering model-centric neural networks with stronger encoding capabilities. In this paper, we propose \textbf{E}ntropy-driven \textbf{D}igraph knowl\textbf{E}dge distillatio\textbf{N} (EDEN), which can serve as a data-centric digraph learning paradigm or a model-agnostic hot-and-plug data-centric Knowledge Distillation (KD) module. The core idea is to achieve data-centric ML, guided by our proposed hierarchical encoding theory for structured data. Specifically, EDEN first utilizes directed structural measurements from a topology perspective to construct a coarse-grained Hierarchical Knowledge Tree (HKT). Subsequently, EDEN quantifies the mutual information of node profiles to refine knowledge flow in the HKT, enabling data-centric KD supervision within model training. As a general framework, EDEN can also naturally extend to undirected scenarios and demonstrate satisfactory performance. In our experiments, EDEN has been widely evaluated on 14 (di)graph datasets (homophily and heterophily) and across 4 downstream tasks. The results demonstrate that EDEN attains SOTA performance and exhibits strong improvement for prevalent (Di)GNNs.
Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.
Water temperature can vary substantially even across short distances within the same sub-watershed. Accurate prediction of stream water temperature at fine spatial resolutions (i.e., fine scales, $\leq$ 1 km) enables precise interventions to maintain water quality and protect aquatic habitats. Although spatiotemporal models have made substantial progress in spatially coarse time series modeling, challenges persist in predicting at fine spatial scales due to the lack of data at that scale.To address the problem of insufficient fine-scale data, we propose a Multi-Scale Graph Learning (MSGL) method. This method employs a multi-task learning framework where coarse-scale graph learning, bolstered by larger datasets, simultaneously enhances fine-scale graph learning. Although existing multi-scale or multi-resolution methods integrate data from different spatial scales, they often overlook the spatial correspondences across graph structures at various scales. To address this, our MSGL introduces an additional learning task, cross-scale interpolation learning, which leverages the hydrological connectedness of stream locations across coarse- and fine-scale graphs to establish cross-scale connections, thereby enhancing overall model performance. Furthermore, we have broken free from the mindset that multi-scale learning is limited to synchronous training by proposing an Asynchronous Multi-Scale Graph Learning method (ASYNC-MSGL). Extensive experiments demonstrate the state-of-the-art performance of our method for anti-sparse downscaling of daily stream temperatures in the Delaware River Basin, USA, highlighting its potential utility for water resources monitoring and management.
Federated graph learning is a widely recognized technique that promotes collaborative training of graph neural networks (GNNs) by multi-client graphs.However, existing approaches heavily rely on the communication of model parameters or gradients for federated optimization and fail to adequately address the data heterogeneity introduced by intricate and diverse graph distributions. Although some methods attempt to share additional messages among the server and clients to improve federated convergence during communication, they introduce significant privacy risks and increase communication overhead. To address these issues, we introduce the concept of a condensed graph as a novel optimization carrier to address FGL data heterogeneity and propose a new FGL paradigm called FedGM. Specifically, we utilize a generalized condensation graph consensus to aggregate comprehensive knowledge from distributed graphs, while minimizing communication costs and privacy risks through a single transmission of the condensed data. Extensive experiments on six public datasets consistently demonstrate the superiority of FedGM over state-of-the-art baselines, highlighting its potential for a novel FGL paradigm.
Predicting disease states from functional brain connectivity is critical for the early diagnosis of severe neurodegenerative diseases such as Alzheimer's Disease and Parkinson's Disease. Existing studies commonly employ Graph Neural Networks (GNNs) to infer clinical diagnoses from node-based brain connectivity matrices generated through node-to-node similarities of regionally averaged fMRI signals. However, recent neuroscience studies found that such node-based connectivity does not accurately capture ``functional connections" within the brain. This paper proposes a novel approach to brain network analysis that emphasizes edge functional connectivity (eFC), shifting the focus to inter-edge relationships. Additionally, we introduce a co-embedding technique to integrate edge functional connections effectively. Experimental results on the ADNI and PPMI datasets demonstrate that our method significantly outperforms state-of-the-art GNN methods in classifying functional brain networks.
Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and memory demands as layers increase. Graph sampling has become the predominant method for scaling GNNs to large graphs, mitigating but not fully solving the issue. Pre-propagation GNNs (PP-GNNs) represent a new class of models that decouple feature propagation from training through pre-processing, addressing neighbor explosion in theory. Yet, their practical advantages and system-level optimizations remain underexplored. This paper provides a comprehensive characterization of PP-GNNs, comparing them with graph-sampling-based methods in training efficiency, scalability, and accuracy. While PP-GNNs achieve comparable accuracy, we identify data loading as the key bottleneck for training efficiency and input expansion as a major scalability challenge. To address these issues, we propose optimized data loading schemes and tailored training methods that improve PP-GNN training throughput by an average of 15$\times$ over the PP-GNN baselines, with speedup of up to 2 orders of magnitude compared to sampling-based GNNs on large graph benchmarks. Our implementation is publicly available at https://github.com/cornell-zhang/preprop-gnn.
Graph Transformers (GTs), which simultaneously integrate message-passing and self-attention mechanisms, have achieved promising empirical results in some graph prediction tasks. Although these approaches show the potential of Transformers in capturing long-range graph topology information, issues concerning the quadratic complexity and high computing energy consumption severely limit the scalability of GTs on large-scale graphs. Recently, as brain-inspired neural networks, Spiking Neural Networks (SNNs), facilitate the development of graph representation learning methods with lower computational and storage overhead through the unique event-driven spiking neurons. Inspired by these characteristics, we propose a linear-time Graph Transformer using Spiking Vector Quantization (GT-SVQ) for node classification. GT-SVQ reconstructs codebooks based on rate coding outputs from spiking neurons, and injects the codebooks into self-attention blocks to aggregate global information in linear complexity. Besides, spiking vector quantization effectively alleviates codebook collapse and the reliance on complex machinery (distance measure, auxiliary loss, etc.) present in previous vector quantization-based graph learning methods. In experiments, we compare GT-SVQ with other state-of-the-art baselines on node classification datasets ranging from small to large. Experimental results show that GT-SVQ has achieved competitive performances on most datasets while maintaining up to 130x faster inference speed compared to other GTs.
RGB-Thermal Video Object Detection (RGBT VOD) can address the limitation of traditional RGB-based VOD in challenging lighting conditions, making it more practical and effective in many applications. However, similar to most RGBT fusion tasks, it still mainly relies on manually aligned multimodal image pairs. In this paper, we propose a novel Multimodal Spatio-temporal Graph learning Network (MSGNet) for alignment-free RGBT VOD problem by leveraging the robust graph representation learning model. Specifically, we first design an Adaptive Partitioning Layer (APL) to estimate the corresponding regions of the Thermal image within the RGB image (high-resolution), achieving a preliminary inexact alignment. Then, we introduce the Spatial Sparse Graph Learning Module (S-SGLM) which employs a sparse information passing mechanism on the estimated inexact alignment to achieve reliable information interaction between different modalities. Moreover, to fully exploit the temporal cues for RGBT VOD problem, we introduce Hybrid Structured Temporal Modeling (HSTM), which involves a Temporal Sparse Graph Learning Module (T-SGLM) and Temporal Star Block (TSB). T-SGLM aims to filter out some redundant information between adjacent frames by employing the sparse aggregation mechanism on the temporal graph. Meanwhile, TSB is dedicated to achieving the complementary learning of local spatial relationships. Extensive comparative experiments conducted on both the aligned dataset VT-VOD50 and the unaligned dataset UVT-VOD2024 demonstrate the effectiveness and superiority of our proposed method. Our project will be made available on our website for free public access.
In this paper, we explore an open research problem concerning the reconstruction of 3D scenes from images. Recent methods have adopt 3D Gaussian Splatting (3DGS) to produce 3D scenes due to its efficient training process. However, these methodologies may generate incomplete 3D scenes or blurred multiviews. This is because of (1) inaccurate 3DGS point initialization and (2) the tendency of 3DGS to flatten 3D Gaussians with the sparse-view input. To address these issues, we propose a novel framework EG-Gaussian, which utilizes epipolar geometry and graph networks for 3D scene reconstruction. Initially, we integrate epipolar geometry into the 3DGS initialization phase to enhance initial 3DGS point construction. Then, we specifically design a graph learning module to refine 3DGS spatial features, in which we incorporate both spatial coordinates and angular relationships among neighboring points. Experiments on indoor and outdoor benchmark datasets demonstrate that our approach significantly improves reconstruction accuracy compared to 3DGS-based methods.
Transformers have attained outstanding performance across various modalities, owing to their simple but powerful scaled-dot-product (SDP) attention mechanisms. Researchers have attempted to migrate Transformers to graph learning, but most advanced Graph Transformers (GTs) have strayed far from plain Transformers, exhibiting major architectural differences either by integrating message-passing or incorporating sophisticated attention mechanisms. These divergences hinder the easy adoption of training advances for Transformers developed in other domains. Contrary to previous GTs, this work demonstrates that the plain Transformer architecture can be a powerful graph learner. To achieve this, we propose to incorporate three simple, minimal, and easy-to-implement modifications to the plain Transformer architecture to construct our Powerful Plain Graph Transformers (PPGT): (1) simplified $L_2$ attention for measuring the magnitude closeness among tokens; (2) adaptive root-mean-square normalization to preserve token magnitude information; and (3) a simple MLP-based stem for graph positional encoding. Consistent with its theoretical expressivity, PPGT demonstrates noteworthy realized expressivity on the empirical graph expressivity benchmark, comparing favorably to more complicated competitors such as subgraph GNNs and higher-order GNNs. Its outstanding empirical performance across various graph datasets also justifies the practical effectiveness of PPGT.