arXiv:2412.17468cs.LGcs.AI2024-12JMLR被引 2

用边过滤构造拓扑图表示,保留节点嵌入信息并增强表达能力

Line Graph Vietoris-Rips Persistence Diagram for Topological Graph Representation Learning

  • 基于线图的边过滤构建持久性图,保留节点嵌入信息
  • 在多个图分类与回归任务上优于现有方法
  • 适合需要强拓扑表达能力的图学习场景

尽管消息传递图神经网络能生成有信息量的节点嵌入,但可能无法有效描述图的拓扑性质。为此,节点过滤虽被广泛用于通过持久性图获取拓扑信息,却面临丢失节点嵌入信息的问题,从而限制了图表示的表达力。为解决此问题,我们转向边过滤,提出一种新型基于边过滤的持久性图——拓扑边图(TED),其数学上证明可同时保留节点嵌入信息并包含额外拓扑信息。为实现TED,我们提出基于神经网络的线图维托里斯-里普斯(LGVR)持久性图算法,通过将图转换为其线图来提取边信息。基于LGVR,我们设计两种可应用于任意消息传递GNN的模型框架,并证明其严格强于Weisfeiler-Lehman型着色。最后,在多个图分类与回归基准上实证验证了所提模型的优越性能。

原文摘要 · Abstract (English)

While message passing graph neural networks result in informative node embeddings, they may suffer from describing the topological properties of graphs. To this end, node filtration has been widely used as an attempt to obtain the topological information of a graph using persistence diagrams. However, these attempts have faced the problem of losing node embedding information, which in turn prevents them from providing a more expressive graph representation. To tackle this issue, we shift our focus to edge filtration and introduce a novel edge filtration-based persistence diagram, named Topological Edge Diagram (TED), which is mathematically proven to preserve node embedding information as well as contain additional topological information. To implement TED, we propose a neural network based algorithm, named Line Graph Vietoris-Rips (LGVR) Persistence Diagram, that extracts edge information by transforming a graph into its line graph. Through LGVR, we propose two model frameworks that can be applied to any message passing GNNs, and prove that they are strictly more powerful than Weisfeiler-Lehman type colorings. Finally we empirically validate superior performance of our models on several graph classification and regression benchmarks.

图神经网络拓扑学习持久性同调线图

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