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Graph Contrastive Learning with Augmentations

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arxiv 2010.13902 v3 pith:XPQCHOHC submitted 2020-10-22 cs.LG cs.AI

classification cs.LGcs.AI
keywords graphlearningaugmentationsdatagraphclaugmentationcontrastiveextents
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Generalizable, transferrable, and robust representation learning on graph-structured data remains a challenge for current graph neural networks (GNNs). Unlike what has been developed for convolutional neural networks (CNNs) for image data, self-supervised learning and pre-training are less explored for GNNs. In this paper, we propose a graph contrastive learning (GraphCL) framework for learning unsupervised representations of graph data. We first design four types of graph augmentations to incorporate various priors. We then systematically study the impact of various combinations of graph augmentations on multiple datasets, in four different settings: semi-supervised, unsupervised, and transfer learning as well as adversarial attacks. The results show that, even without tuning augmentation extents nor using sophisticated GNN architectures, our GraphCL framework can produce graph representations of similar or better generalizability, transferrability, and robustness compared to state-of-the-art methods. We also investigate the impact of parameterized graph augmentation extents and patterns, and observe further performance gains in preliminary experiments. Our codes are available at https://github.com/Shen-Lab/GraphCL.

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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Graph Generative Pre-trained Transformer

    cs.LG 2025-01 conditional novelty 6.0 of 10

    G2PT represents graphs as node-then-edge token sequences and learns them with GPT-style next-token prediction, matching or beating diffusion baselines on seven graph and molecule datasets.

  2. MEGA-CL: A Molecular Foundation Model for Generalizable ADMET Prediction through Graph External Attention and Contrastive Learning

    cs.LG 2026-07 conditional novelty 5.0 of 10

    A contrastive GNN with external attention, pre-trained on ~100M molecules, improves multi-task ADMET prediction and shows prospective wet-lab agreement on three compounds.

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