State of the Art and Potentialities of Graph-level Learning

Abstract

Graphs have a superior ability to represent relational data, such as chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks, including comparison, regression, classification, and more. Traditional approaches to learning a set of graphs heavily rely on hand-crafted features, such as substructures. While these methods benefit from good interpretability, they often suffer from computational bottlenecks, as they cannot skirt the graph isomorphism problem. Conversely, deep learning has helped graph-level learning adapt to the growing scale of graphs by extracting features automatically and encoding graphs into low-dimensional representations. As a result, these deep graph learning methods have been responsible for many successes. Yet, no comprehensive survey reviews graph-level learning starting with traditional learning and moving through to the deep learning approaches. This article fills this gap and frames the representative algorithms into a systematic taxonomy covering traditional learning, graph-level deep neural networks, graph-level graph neural networks, and graph pooling. In addition, the evolution and interaction between methods from these four branches within their developments are examined to provide an in-depth analysis. This is followed by a brief review of the benchmark datasets, evaluation metrics, and common downstream applications. Finally, the survey concludes with an in-depth discussion of 12 current and future directions in this booming field.