Shaojie Qiao

Xingping Xian, Tao Wu, Xiaoke Ma et al.

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for link prediction and have achieved state-of-the-art performance. Nevertheless, existing methods developed for this purpose are typically discriminative, computing features of local subgraphs around two neighboring nodes and predicting potential links between them from the perspective of subgraph classification. In this formalism, the selection of enclosing subgraphs and heuristic structural features for subgraph classification significantly affects the performance of the methods. To overcome this limitation, this paper proposes a novel and radically different link prediction algorithm based on the network reconstruction theory, called GraphLP. Instead of sampling positive and negative links and heuristically computing the features of their enclosing subgraphs, GraphLP utilizes the feature learning ability of deep-learning models to automatically extract the structural patterns of graphs for link prediction under the assumption that real-world graphs are not locally isolated. Moreover, GraphLP explores high-order connectivity patterns to utilize the hierarchical organizational structures of graphs for link prediction. Our experimental results on all common benchmark datasets from different applications demonstrate that the proposed method consistently outperforms other state-of-the-art methods. Unlike the discriminative neural network models used for link prediction, GraphLP is generative, which provides a new paradigm for neural-network-based link prediction.

Xingping Xian, Jianlu Liu, Chao Wang et al.

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods, have been proposed to indicate how much each node/edge contributes to the model predictions. However, these methods fail to generate connected explanatory subgraphs that consider the causal interaction between edges within different coalition scales, which will result in unfaithful explanations. In our study, we propose GISExplainer, a novel game-theoretic interaction based explanation method that uncovers what the underlying GNNs have learned for node classification by discovering human-interpretable causal explanatory subgraphs. First, GISExplainer defines a causal attribution mechanism that considers the game-theoretic interaction of multi-granularity coalitions in candidate explanatory subgraph to quantify the causal effect of an edge on the prediction. Second, GISExplainer assumes that the coalitions with negative effects on the predictions are also significant for model interpretation, and the contribution of the computation graph stems from the combined influence of both positive and negative interactions within the coalitions. Then, GISExplainer regards the explanation task as a sequential decision process, in which a salient edges is successively selected and connected to the previously selected subgraph based on its causal effect to form an explanatory subgraph, ultimately striving for better explanations. Additionally, an efficiency optimization scheme is proposed for the causal attribution mechanism through coalition sampling. Extensive experiments demonstrate that GISExplainer achieves better performance than state-of-the-art approaches w.r.t. two quantitative metrics: Fidelity and Sparsity.

Tao Wu, Canyixing Cui, Xingping Xian et al.

Recent studies have shown that graph neural networks (GNNs) are vulnerable to adversarial attacks, posing significant challenges to their deployment in safety-critical scenarios. This vulnerability has spurred a growing focus on designing robust GNNs. Despite this interest, current advancements have predominantly relied on empirical trial and error, resulting in a limited understanding of the robustness of GNNs against adversarial attacks. To address this issue, we conduct the first large-scale systematic study on the adversarial robustness of GNNs by considering the patterns of input graphs, the architecture of GNNs, and their model capacity, along with discussions on sensitive neurons and adversarial transferability. This work proposes a comprehensive empirical framework for analyzing the adversarial robustness of GNNs. To support the analysis of adversarial robustness in GNNs, we introduce two evaluation metrics: the confidence-based decision surface and the accuracy-based adversarial transferability rate. Through experimental analysis, we derive 11 actionable guidelines for designing robust GNNs, enabling model developers to gain deeper insights. The code of this study is available at https://github.com/star4455/GraphRE.

Mao Wang, Tao Wu, Xingping Xian et al.

Graphs effectively characterize relational data, driving graph representation learning methods that uncover underlying predictive information. As state-of-the-art approaches, Graph Neural Networks (GNNs) enable end-to-end learning for diverse tasks. Recent disentangled graph representation learning enhances interpretability by decoupling independent factors in graph data. However, existing methods often implicitly and coarsely characterize graph structures, limiting structural pattern analysis within the graph. This paper proposes the Graph Optimal Matching Kernel Convolutional Network (GOMKCN) to address this limitation. We view graphs as node-centric subgraphs, where each subgraph acts as a structural factor encoding position-specific information. This transforms graph prediction into structural pattern recognition. Inspired by CNNs, GOMKCN introduces the Graph Optimal Matching Kernel (GOMK) as a convolutional operator, computing similarities between subgraphs and learnable graph filters. Mathematically, GOMK maps subgraphs and filters into a Hilbert space, representing graphs as point sets. Disentangled representations emerge from projecting subgraphs onto task-optimized filters, which adaptively capture relevant structural patterns via gradient descent. Crucially, GOMK incorporates local correspondences in similarity measurement, resolving the trade-off between differentiability and accuracy in graph kernels. Experiments validate that GOMKCN achieves superior accuracy and interpretability in graph pattern mining and prediction. The framework advances the theoretical foundation for disentangled graph representation learning.

Tao Wu, Xinwen Cao, Chao Wang et al.

Graph Neural Networks (GNNs) have demonstrated significant application potential in various fields. However, GNNs are still vulnerable to adversarial attacks. Numerous adversarial defense methods on GNNs are proposed to address the problem of adversarial attacks. However, these methods can only serve as a defense before poisoning, but cannot repair poisoned GNN. Therefore, there is an urgent need for a method to repair poisoned GNN. In this paper, we address this gap by introducing the novel concept of model repair for GNNs. We propose a repair framework, Repairing Robustness of Graph Neural Networks via Machine Unlearning (GraphMU), which aims to fine-tune poisoned GNN to forget adversarial samples without the need for complete retraining. We also introduce a unlearning validation method to ensure that our approach effectively forget specified poisoned data. To evaluate the effectiveness of GraphMU, we explore three fine-tuned subgraph construction scenarios based on the available perturbation information: (i) Known Perturbation Ratios, (ii) Known Complete Knowledge of Perturbations, and (iii) Unknown any Knowledge of Perturbations. Our extensive experiments, conducted across four citation datasets and four adversarial attack scenarios, demonstrate that GraphMU can effectively restore the performance of poisoned GNN.

Tao Wu, Shaojie Qiao, Xingping Xian et al.

From the perspective of network analysis, the ubiquitous networks are comprised of regular and irregular components, which makes uncovering the complexity of network structures to be a fundamental challenge. Exploring the regular information and identifying the roles of microscopic elements in network data can help us recognize the principle of network organization and contribute to network data utilization. However, the intrinsic structural properties of networks remain so far inadequately explored and theorised. With the realistic assumption that there are consistent features across the local structures of networks, we propose a low-rank pursuit based self-representation network model, in which the principle of network organization can be uncovered by a representation matrix. According to this model, original true networks can be reconstructed based on the observed unreliable network topology. In particular, the proposed model enables us to estimate the extent to which the networks are regulable, i.e., measuring the reconstructability of networks. In addition, the model is capable of measuring the importance of microscopic network elements, i.e., nodes and links, in terms of network regularity thereby allowing us to regulate the reconstructability of networks based on them. Extensive experiments on disparate real-world networks demonstrate the effectiveness of the proposed network reconstruction and regulation algorithm. Specifically, the network regularity metric can reflect the reconstructability of networks, and the reconstruction accuracy can be improved by removing irregular network links. Lastly, our approach provides an unique and novel insight into the organization exploring of complex networks.