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Model-Driven Graph Contrastive Learning

About

We propose $\textbf{MGCL}$, a model-driven graph contrastive learning (GCL) framework that leverages graphons (probabilistic generative models for graphs) to guide contrastive learning by accounting for the data's underlying generative process. GCL has emerged as a powerful self-supervised framework for learning expressive node or graph representations without relying on annotated labels, which are often scarce in real-world data. By contrasting augmented views of graph data, GCL has demonstrated strong performance across various downstream tasks, such as node and graph classification. However, existing methods typically rely on manually designed or heuristic augmentation strategies that are not tailored to the underlying data distribution and operate at the individual graph level, ignoring similarities among graphs generated from the same model. Conversely, in our proposed approach, MGCL first estimates the graphon associated with the observed data and then defines a graphon-informed augmentation process, enabling data-adaptive and principled augmentations. Additionally, for graph-level tasks, MGCL clusters the dataset and estimates a graphon per group, enabling contrastive pairs to reflect shared semantics and structure. Extensive experiments on benchmark datasets demonstrate that MGCL achieves state-of-the-art performance, highlighting the advantages of incorporating generative models into GCL.

Ali Azizpour, Nicolas Zilberstein, Santiago Segarra• 2025

Related benchmarks

TaskDatasetResultRank
Graph ClassificationPROTEINS
Accuracy74.85
1252
Graph ClassificationMUTAG
Accuracy89.55
1103
Graph ClassificationNCI1
Accuracy78.66
658
Graph ClassificationD&D
Accuracy78.88
146
Graph ClassificationREDDIT-M5K
Accuracy0.5565
24
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