KEGOD: Kernel-enhanced Latent Substructure Learning for Graph Out-Of-Distribution Detection

摘要

Out-of-Distribution (OOD) detection, which seeks to identify samples deviating from the In-Distribution (ID) training distribution at test time, is crucial for building robust machine learning systems. While extensive efforts have been made for Euclidean data, OOD detection on graph-structured data remains relatively underexplored. On the one hand, the specific properties of a graph may be attributed to its substructures. On the other hand, acquiring labeled data for graph learning is typically time-consuming and labor-intensive. Toward this end, in this paper, we propose a novel kernel-enhanced graph substructure learning framework termed KEGOD for unsupervised graph OOD detection. Specifically, we introduce a learnable graph generator to construct the augmented graph view that preserves distinguishable structure information. Then, for both the input graph and augmented view, a graph neural network (GNN) branch and a graph kernel (GK) branch are incorporated to explore graph latent patterns. By performing multi-branch concordance learning on the extracted graph patterns, our KEGOD captures complementary ID structural semantics in both implicit and explicit manners, enabling reliable detection of OOD graphs through semantic inconsistency. Finally, we build a self-adaptive training mechanism to automatically control diverse sensitivities of the graph patterns. Experimental results on several public graph datasets reveal the superiority of our KEGOD. Our code is available at~ https://github.com/jamesyifan/KEGOD.