Hierarchical Graph-Bag-Network for Self-Supervised Multi-Graph Learning

Multi-Graph Learning (MGL) is a fundamental machine learning paradigm that represents objects as bags-of-graphs, each encoding a distinct structural property, and has broad applications in bioinformatics, chemistry, computing power networks, and software defect detection. However, the inherent scarcity of labeled data poses a significant bottleneck for supervised MGL approaches. While self-supervised contrastive learning offers a compelling solution, its direct application to MGL faces three key challenges: (1) existing graph neural networks, primarily for single-graph modeling, struggle to yield discriminative bag-level representations from bags-of-graphs; (2) conventional contrastive objectives are limited to single-level settings, failing to capture cross-hierarchical dependencies; and (3) standard data augmentation often disrupts intrinsic graph and bag structures, undermining semantic consistency. To address these issues, we propose the Hierarchical Graph-Bag-Network (HGBN), a self-supervised MGL framework that constructs hierarchical representations in the form of a graph-bag-network. HGBN employs an asymmetric hierarchical graph neural network to learn discriminative graph-level and bag-level representations, introduces cross-hierarchical contrastive objectives to align graph-level and bag-level semantics, and leverages the asymmetric network outputs to form positive and negative pairs, preserving intrinsic structural and semantic consistency. Experiments on eight benchmark multi-graph datasets demonstrate that HGBN consistently outperforms both supervised and self-supervised state-of-the-art baselines, achieving average improvements of 4.82% in accuracy and F1 score.