On a linear fused Gromov-Wasserstein distance for graph structured data

원문 초록

We present a framework for embedding graph structured data into a vector space, taking into account node features and topology of a graph into the optimal transport (OT) problem. Then we propose a novel distance between two graphs, named linearFGW, defined as the Euclidean distance between their embeddings. The advantages of the proposed distance are twofold: 1) it can take into account node feature and structure of graphs for measuring the similarity between graphs in a kernel-based framework, 2) it can be much faster for computing kernel matrix than pairwise OT-based distances, particularly fused Gromov-Wasserstein, making it possible to deal with large-scale data sets. After discussing theoretical properties of linearFGW, we demonstrate experimental results on classification and clustering tasks, showing the effectiveness of the proposed linearFGW.