Diffusion-Guided Graph Data Augmentation

Graph Neural Networks (GNNs) have achieved remarkable success in a wide range of applications. However, when trained on limited or low-diversity datasets, GNNs are prone to overfitting and memorization, which impacts their generalization. To address this, graph data augmentation (GDA) has become a crucial task to enhance the performance and generalization of GNNs. Traditional GDA methods employ simple transformations that result in limited performance gains. Although recent diffusion-based augmentation methods offer improved results, they are sparse, task-specific, and constrained by class labels. In this work, we propose a more general and effective diffusion-based GDA framework that is task-agnostic and label-free. For better training stability and reduced computational cost, we employ a graph variational auto-encoder (GVAE) to learn a compact latent graph representation. A diffusion model is used in the learned latent space to generate both consistent and diverse augmentations. For a fixed augmentation budget, our algorithm selects a subset of samples that would benefit the most from the augmentation. To further improve performance, we also perform test-time augmentation, leveraged by the label-free nature of our method. Thanks to the efficient utilization of GVAE and latent diffusion, our algorithm significantly enhances machine learning safety measures, including calibration, robustness to corruptions, and prediction consistency. Moreover, our method has shown improved robustness against four types of adversarial attacks and achieves better generalization performance. To demonstrate the effectiveness of the proposed method, we compare it with 30 existing methods on 12 benchmark datasets across node classification, link prediction, and graph classification in various learning settings, including semi-supervised, supervised, and long-tailed data distributions. Code is available at https://github.com/MariaMarrium/D-GDA.