针对图对比学习中忽略子图结构的问题,提出基于子图的可学习增强方法。
SOLA-GCL: Subgraph-Oriented Learnable Augmentation Method for Graph Contrastive Learning
- 以子图为单位划分图结构,结合内部与跨子图增强策略。
- 在社交网络和分子数据上显著提升对比学习效果,优于现有方法。
- 适合需要强鲁棒性图表示的场景,如社交关系分析、药物发现。
图对比学习已成为一种强大的图表示学习技术,能生成鲁棒且判别性强的表示。然而,传统方法常忽视子图结构的关键作用,特别是子图内部特征与子图间关系,而这些正是生成有信息量且多样化的对比样本的核心。不同类型的图中子图意义各异:社交网络中的子图代表社区,生物化学网络中的子图则象征分子相互作用。为此,本文提出一种新型子图导向的可学习增强方法SOLA-GCL,专注于子图信息以实现数据增强。SOLA-GCL首先根据图的内在属性将图划分为多个密集连接的子图;为保留并强化子图固有特征,设计了一个图视图生成器,针对每个子图优化增强策略,生成适配的图视图用于对比学习。该生成器融合了节点删除、特征掩码、内部边扰动、外部边扰动及子图交换等策略。在半监督、无监督和迁移学习设置下,于社交网络与分子等多种图学习任务上进行了广泛实验,结果表明SOLA-GCL在性能上超越当前最先进的图对比学习方法。
原文摘要 · Abstract (English)
Graph contrastive learning has emerged as a powerful technique for learning graph representations that are robust and discriminative. However, traditional approaches often neglect the critical role of subgraph structures, particularly the intra-subgraph characteristics and inter-subgraph relationships, which are crucial for generating informative and diverse contrastive pairs. These subgraph features are crucial as they vary significantly across different graph types, such as social networks where they represent communities, and biochemical networks where they symbolize molecular interactions. To address this issue, our work proposes a novel subgraph-oriented learnable augmentation method for graph contrastive learning, termed SOLA-GCL, that centers around subgraphs, taking full advantage of the subgraph information for data augmentation. Specifically, SOLA-GCL initially partitions a graph into multiple densely connected subgraphs based on their intrinsic properties. To preserve and enhance the unique characteristics inherent to subgraphs, a graph view generator optimizes augmentation strategies for each subgraph, thereby generating tailored views for graph contrastive learning. This generator uses a combination of intra-subgraph and inter-subgraph augmentation strategies, including node dropping, feature masking, intra-edge perturbation, inter-edge perturbation, and subgraph swapping. Extensive experiments have been conducted on various graph learning applications, ranging from social networks to molecules, under semi-supervised learning, unsupervised learning, and transfer learning settings to demonstrate the superiority of our proposed approach over the state-of-the-art in GCL.
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