Graph Interpolation via Fast Fused-Gromovization

Abstract

Graph data augmentation has proven to be effective in enhancing the generalizability and robustness of graph neural networks (GNNs) for graph-level classifications. However, existing methods mainly focus on augmenting the graph signal space and the graph structure space independently, overlooking their joint interaction. This paper addresses this limitation by formulating the problem as an optimal transport problem that aims to find an optimal strategy for matching nodes between graphs considering the interactions between graph structures and signals. To tackle this problem, we propose a novel graph mixup algorithm dubbed FGWMixup, which leverages the Fused Gromov-Wasserstein (FGW) metric space to identify a "midpoint" of the source graphs. To improve the scalability of our approach, we introduce a relaxed FGW solver that accelerates FGWMixup by enhancing the convergence rate from $\mathcal{O}(t^{-1})$ to $\mathcal{O}(t^{-2})$. Extensive experiments conducted on five datasets, utilizing both classic (MPNNs) and advanced (Graphormers) GNN backbones, demonstrate the effectiveness of FGWMixup in improving the generalizability and robustness of GNNs