Scalable Generative Models for Graphs with Graph Attention Mechanism

원문 초록

Graphs are ubiquitous real-world data structures, and generative models that approximate distributions over graphs and derive new samples from them have significant importance. Among the known challenges in graph generation tasks, scalability handling of large graphs and datasets is one of the most important for practical applications. Recently, an increasing number of graph generative models have been proposed and have demonstrated impressive results. However, scalability is still an unresolved problem due to the complex generation process or difficulty in training parallelization. In this paper, we first define scalability from three different perspectives: number of nodes, data, and node/edge labels. Then, we propose GRAM, a generative model for graphs that is scalable in all three contexts, especially in training. We aim to achieve scalability by employing a novel graph attention mechanism, formulating the likelihood of graphs in a simple and general manner. Also, we apply two techniques to reduce computational complexity. Furthermore, we construct a unified and non-domain-specific evaluation metric in node/edge-labeled graph generation tasks by combining a graph kernel and Maximum Mean Discrepancy. Our experiments on synthetic and real-world graphs demonstrated the scalability of our models and their superior performance compared with baseline methods.