Learning Uniform Clusters on Hypersphere for Deep Graph-level Clustering (2311.13953v1)

Abstract: Graph clustering has been popularly studied in recent years. However, most existing graph clustering methods focus on node-level clustering, i.e., grouping nodes in a single graph into clusters. In contrast, graph-level clustering, i.e., grouping multiple graphs into clusters, remains largely unexplored. Graph-level clustering is critical in a variety of real-world applications, such as, properties prediction of molecules and community analysis in social networks. However, graph-level clustering is challenging due to the insufficient discriminability of graph-level representations, and the insufficient discriminability makes deep clustering be more likely to obtain degenerate solutions (cluster collapse). To address the issue, we propose a novel deep graph-level clustering method called Uniform Deep Graph Clustering (UDGC). UDGC assigns instances evenly to different clusters and then scatters those clusters on unit hypersphere, leading to a more uniform cluster-level distribution and a slighter cluster collapse. Specifically, we first propose Augmentation-Consensus Optimal Transport (ACOT) for generating uniformly distributed and reliable pseudo labels for partitioning clusters. Then we adopt contrastive learning to scatter those clusters. Besides, we propose Center Alignment Optimal Transport (CAOT) for guiding the model to learn better parameters, which further promotes the cluster performance. Our empirical study on eight well-known datasets demonstrates that UDGC significantly outperforms the state-of-the-art models.