Revisiting Positive Samples in Graph Contrastive Learning: From the Perspective of Message Passing
Lianze Shan, Ningchong Wang, Jitao Zhao, Di Jin, Dongxiao He
Abstract
Graph Contrastive Learning (GCL), which trains graph encoders by maximizing similarity between positive samples and minimizing it between negative ones, has emerged as a mainstream graph pre-training paradigm. It is widely recognized that positive samples are essential in GCLs. Ideally, maximizing the similarity of positive samples enables graph encoders to capture intrinsic semantics and patterns of graph data. However, we discover an interesting phenomenon: GCLs can achieve competitive performance even without positive samples. This motivates us to revisit the fundamental mechanism of positive samples in GCLs. From the perspective of Dirichlet energy, we theoretically find that message passing, a key mechanism in graph encoders, trivializes the maximization of positive samples, preventing GCLs from effectively learning from positive samples. To address this, we propose SPGCL to mitigate the trivialization caused by message passing and restore the learning efficacy of positive samples. Specifically, we find that high Dirichlet energy features help positive samples provide effective learning signals while low Dirichlet energy features contribute little to positive learning signal but is useful for positive sampling. Based on this, SPGCL introduces an energy-aware propagation mechanism that selectively propagates features based on their Dirichlet energy, preventing low-energy features from dominating similarity. Furthermore, we construct a positive sampling matrix based on Dirichlet energy to exclude misleading positive samples and focus on node pairs with higher discrimination. Extensive experiments demonstrate the effectiveness of SPGCL.
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