Graph OOD Detection via Plug-and-Play Energy-based Evaluation and Propagation

摘要

Existing graph neural network (GNN) methods are typically built upon the i.i.d. assumption, emphasizing the enhancement of the test performance for in-distribution (ID) data. However, there has been limited exploration of their adaptability to scenarios involving unknown distribution data. On the one hand, in real-world application scenarios, graph data often expands continuously with the acquisition of external knowledge, which means that new nodes with unknown categories may be added to the graph data. The gap between the new node distribution and the original node distribution can make existing GNN methods less effective. On the other hand, existing out-of-distribution (OOD) detection methods often rely on the softmax confidence score, which makes the OOD data suffer from overconfident posterior distributions. To address the above issues, we propose an Energy Propagation-based Graph Neural Network (EPGNN), which improves the OOD generalization ability by endowing GNN with the capacity to detect the OOD nodes in the graph. Specifically, we first construct GNN encoder to obtain node embedding that incorporates neighborhood structural information. Then, we design a plug-and-play energy-based OOD evaluator by assigning corresponding energy values to different nodes. Finally, we construct a plug-and-play structure-aware energy propagation module and joint alignment regularization, which make the node energy more flexible during the training process. Extensive experiments on benchmark datasets demonstrate the superiority of our method.