Label Attentive Distillation for GNN-Based Graph Classification

摘要

Graph Neural Networks (GNNs) have emerged as a powerful tool for modeling graph-structured data, exhibiting remarkable potential in applications such as social networks, recommendation systems, and molecular structures. However, the conventional GNNs perform node-level feature aggregation from neighbors without considering graph-label information, which leads to the misaligned embedding problem that may cause a detrimental effect on graph-level tasks such as graph classification. In this paper, we propose a novel label-attentive distillation method called LAD-GNN for graph representation learning to solve this problem. It alternatively trains a teacher model and a student GNN with a distillation-based approach. In the teacher model, a label-attentive encoder is proposed to encode the label information fusing with the node features to generate ideal embedding. In the student model, the ideal embedding is used as intermediate supervision to urge the student GNN to learn class-friendly node embedding to facilitate graph-level tasks. Generally, LAD-GNN is an enhanced GNN training approach that can be incorporated with arbitrary GNN backbone to improve performance without significant increase of computational cost. Extensive experiments with 7 GNN backbones based on 10 benchmark datasets show that LAD-GNN improves the SOTA GNNs in graph classification accuracy. The source codes of LAD-GNN are publicly available on https://github.com/XiaobinHong/LAD-GNN.