用拓扑特征增强图对比学习,提升模型表现与效率。
Tensor-Fused Multi-View Graph Contrastive Learning
- 融合拓扑与图结构的多视角对比学习框架
- 在11个数据集上优于15种主流方法,9个领先
- 适合图神经网络、生物信息学等研究者参考
图对比学习(GCL)已成为提升图神经网络(GNNs)从无标签图数据中学习丰富表示能力的有前景方法。然而,现有GCL模型面临计算开销大和特征利用不足的问题,通常仅依赖节点度、边属性等基础图特性,难以充分捕捉现实世界图结构的复杂拓扑特征。为此,我们提出张量融合多视角图对比学习(TensorMV-GCL),将扩展持久同调(EPH)与GCL表示结合,实现多尺度特征提取。该方法通过张量聚合与压缩,融合同一图在多个增强视图下获得的图与拓扑特征;利用张量拼接与收缩模块,分离特征聚合与变换过程,降低计算开销。同时,通过注入噪声的EPH提升拓扑特征质量与模型鲁棒性。在分子、生物信息与社交网络数据集上的实验表明,TensorMV-GCL在11个基准测试中的9个上超越15种先进方法,其余两个表现相当。代码已公开于https://github.com/CS-SAIL/Tensor-MV-GCL.git。
原文摘要 · Abstract (English)
Graph contrastive learning (GCL) has emerged as a promising approach to enhance graph neural networks' (GNNs) ability to learn rich representations from unlabeled graph-structured data. However, current GCL models face challenges with computational demands and limited feature utilization, often relying only on basic graph properties like node degrees and edge attributes. This constrains their capacity to fully capture the complex topological characteristics of real-world phenomena represented by graphs. To address these limitations, we propose Tensor-Fused Multi-View Graph Contrastive Learning (TensorMV-GCL), a novel framework that integrates extended persistent homology (EPH) with GCL representations and facilitates multi-scale feature extraction. Our approach uniquely employs tensor aggregation and compression to fuse information from graph and topological features obtained from multiple augmented views of the same graph. By incorporating tensor concatenation and contraction modules, we reduce computational overhead by separating feature tensor aggregation and transformation. Furthermore, we enhance the quality of learned topological features and model robustness through noise-injected EPH. Experiments on molecular, bioinformatic, and social network datasets demonstrate TensorMV-GCL's superiority, outperforming 15 state-of-the-art methods in graph classification tasks across 9 out of 11 benchmarks while achieving comparable results on the remaining two. The code for this paper is publicly available at https://github.com/CS-SAIL/Tensor-MV-GCL.git.
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