Interpretable Neural Subgraph Matching for Graph Retrieval

Abstract

Given a query graph and a database of corpus graphs, a graph retrieval system aims to deliver the most relevant corpus graphs. Graph retrieval based on subgraph matching has a wide variety of applications, e.g., molecular fingerprint detection, circuit design, software analysis, and question answering. In such applications, a corpus graph is relevant to a query graph, if the query graph is (perfectly or approximately) a subgraph of the corpus graph. Existing neural graph retrieval models compare the node or graph embeddings of the query-corpus pairs, to compute the relevance scores between them. However, such models may not provide edge consistency between the query and corpus graphs. Moreover, they predominantly use symmetric relevance scores, which are not appropriate in the context of subgraph matching, since the underlying relevance score in subgraph search should be measured using the partial order induced by subgraph-supergraph relationship. Consequently, they show poor retrieval performance in the context of subgraph matching. In response, we propose ISONET, a novel interpretable neural edge alignment formulation, which is better able to learn the edge-consistent mapping necessary for subgraph matching. ISONET incorporates a new scoring mechanism which enforces an asymmetric relevance score, specifically tailored to subgraph matching. ISONET’s design enables it to directly identify the underlying subgraph in a corpus graph, which is relevant to the given query graph. Our experiments on diverse datasets show that ISONET outperforms recent graph retrieval formulations and systems. Additionally, ISONET can provide interpretable alignments between query-corpus graph pairs during inference, despite being trained only using binary relevance labels of whole graphs during training, without any fine-grained ground truth information about node or edge alignments.