Graph Contrastive Learning via Spectral Graph Alignment
About
Given augmented views of each input graph, contrastive learning methods (e.g., InfoNCE) optimize pairwise alignment of graph embeddings across views while providing no mechanism to control the global structure of the view specific graph-of-graphs built from these embeddings. We introduce SpecMatch-CL, a novel loss function that aligns the view specific graph-of-graphs by minimizing the difference between their normalized Laplacians. Theoretically, we show that under certain assumptions, the difference between normalized Laplacians provides an upper bound not only for the difference between the ideal Perfect Alignment contrastive loss and the current loss, but also for the Uniformly loss. Empirically, SpecMatch-CL establishes new state of the art on eight TU benchmarks under unsupervised learning and semi-supervised learning at low label rates, and yields consistent gains in transfer learning on PPI-306K and ZINC 2M datasets.