GRAN is superior to GraphRNN: node orderings, kernel- and graph embeddings-based metrics for graph generators

원문 초록

A wide variety of generative models for graphs have been proposed. They are used in drug discovery, road networks, neural architecture search, and program synthesis. Generating graphs has theoretical challenges, such as isomorphic representations -- evaluating how well a generative model performs is difficult. Which model to choose depending on the application domain? We extensively study kernel-based metrics on distributions of graph invariants and manifold-based and kernel-based metrics in graph embedding space. Manifold-based metrics outperform kernel-based metrics in embedding space. We use these metrics to compare GraphRNN and GRAN, two well-known generative models for graphs, and unveil the influence of node orderings. It shows the superiority of GRAN over GraphRNN - further, our proposed adaptation of GraphRNN with a depth-first search ordering is effective for small-sized graphs. A guideline on good practices regarding dataset selection and node feature initialization is provided. Our work is accompanied by open-source code and reproducible experiments.