Computing Approximate Graph Edit Distance via Optimal Transport

Abstract

Given a graph pair $(G^1, G^2)$, graph edit distance (GED) is defined as the minimum number of edit operations converting $G^1$ to $G^2$. GED is a fundamental operation widely used in many applications, but its exact computation is NP-hard, so the approximation of GED has gained a lot of attention. Data-driven learning-based methods have been found to provide superior results compared to classical approximate algorithms, but they directly fit the coupling relationship between a pair of vertices from their vertex features. We argue that while pairwise vertex features can capture the coupling cost (discrepancy) of a pair of vertices, the vertex coupling matrix should be derived from the vertex-pair cost matrix through a more well-established method that is aware of the global context of the graph pair, such as optimal transport. In this paper, we propose an ensemble approach that integrates a supervised learning-based method and an unsupervised method, both based on optimal transport. Our learning method, GEDIOT, is based on inverse optimal transport that leverages a learnable Sinkhorn algorithm to generate the coupling matrix. Our unsupervised method, GEDGW, models GED computation as a linear combination of optimal transport and its variant, Gromov-Wasserstein discrepancy, for node and edge operations, respectively, which can be solved efficiently without needing the ground truth. Our ensemble method, GEDHOT, combines GEDIOT and GEDGW to further boost the performance. Extensive experiments demonstrate that our methods significantly outperform the existing methods in terms of the performance of GED computation, edit path generation, and model generalizability.