Ziling Liang

Ziling Liang, Xinping Yi, Qingsong Wen et al.

Whilst the vulnerability of graph neural networks (GNNs) to adversarial attacks poses a critical threat to graph representation learning, the understanding of the robust generalization behavior remains a fundamental challenge in the adversarial setting. Recently, PAC-Bayesian margin-based generalization analysis substantially advances this line of research by providing a flexible and data-dependent analytical framework. However, existing robust analyses often rely on isotropic Gaussian posteriors and control weight perturbations in the full parameter space, which limits the ability to capture heterogeneous parameter sensitivity yet hinges on hidden-width-dependent complexity terms, resulting in not-tight-enough generalization bounds. In this paper, we extend a recently proposed sensitivity-aware PAC-Bayesian framework from deep neural networks to message passing GNNs (MPGNNs) and derive a tighter robust generalization bound in the adversarial setting. Specifically, we first quantify how sensitive the perturbations across different parameter blocks are to the network outputs by deriving the output Jacobians with respect to the weight parameters. Exploiting the fact that these Jacobian matrices have rank at most $K$ in $K$-class graph classification, we then construct Jacobian-aligned sensitivity matrices and use anisotropic Gaussian posteriors with optimized covariances to upper bound the KL divergence in a tight way. Notably, by refining the spectral-norm dependence on the learned weights and reducing the leading dimension factor from hidden-width-dependent terms to the number of classes $K$, our analysis yields much tighter robust generalization guarantees for MPGNNs, thereby guiding their designs to enhance adversarial robustness.

Ganlin Liu, Ziling Liang, Xiaowei Huang et al.

Despite impressive capability in learning over graph-structured data, graph neural networks (GNN) suffer from adversarial topology perturbation in both training and inference phases. While adversarial training has demonstrated remarkable effectiveness in image classification tasks, its suitability for GNN models has been doubted until a recent advance that shifts the focus from transductive to inductive learning. Still, GNN robustness in the inductive setting is under-explored, and it calls for deeper understanding of GNN adversarial training. To this end, we propose a new concept of graph subspace energy (GSE) -- a generalization of graph energy that measures graph stability -- of the adjacency matrix, as an indicator of GNN robustness against topology perturbations. To further demonstrate the effectiveness of such concept, we propose an adversarial training method with the perturbed graphs generated by maximizing the GSE regularization term, referred to as AT-GSE. To deal with the local and global topology perturbations raised respectively by LRBCD and PRBCD, we employ randomized SVD (RndSVD) and Nystrom low-rank approximation to favor the different aspects of the GSE terms. An extensive set of experiments shows that AT-GSE outperforms consistently the state-of-the-art GNN adversarial training methods over different homophily and heterophily datasets in terms of adversarial accuracy, whilst more surprisingly achieving a superior clean accuracy on non-perturbed graphs.