arXiv:2506.24018cs.LGcs.AI2025-06NeurIPS被引 3

首次系统分析图神经网络在链接表示中的表达能力,理论结合实践。

Bridging Theory and Practice in Link Representation with Graph Neural Networks

  • 提出统一框架 $k_ϕ$-$k_ρ$-$m$,统一现有消息传递链接模型
  • 发现高表达力模型在对称性高的数据上显著优于简单模型
  • 构建首个专用于评估链接级表达力的合成基准

图神经网络(GNN)广泛用于节点对表示以支持链接预测等下游任务。然而,对其表达能力的理论研究几乎仅限于图级别表示。本文将焦点转向链接,首次全面研究了GNN在链接表示中的表达能力。提出统一框架 $k_ϕ$-$k_ρ$-$m$,涵盖现有消息传递链接模型,并支持形式化比较。基于该框架,推导出主流方法的层次结构,并提供分析未来架构的理论工具。为补充分析,设计首个专用于评估链接级表达力的合成评估协议。最后探讨表达力在实践中是否重要:通过图对称性度量链接区分难度,发现尽管高表达力模型在标准基准上表现不佳,但在对称性增加时显著超越简单模型,凸显数据集感知模型选择的必要性。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) are widely used to compute representations of node pairs for downstream tasks such as link prediction. Yet, theoretical understanding of their expressive power has focused almost entirely on graph-level representations. In this work, we shift the focus to links and provide the first comprehensive study of GNN expressiveness in link representation. We introduce a unifying framework, the $k_ϕ$-$k_ρ$-$m$ framework, that subsumes existing message-passing link models and enables formal expressiveness comparisons. Using this framework, we derive a hierarchy of state-of-the-art methods and offer theoretical tools to analyze future architectures. To complement our analysis, we propose a synthetic evaluation protocol comprising the first benchmark specifically designed to assess link-level expressiveness. Finally, we ask: does expressiveness matter in practice? We use a graph symmetry metric that quantifies the difficulty of distinguishing links and show that while expressive models may underperform on standard benchmarks, they significantly outperform simpler ones as symmetry increases, highlighting the need for dataset-aware model selection.

图神经网络链接预测表达能力理论分析

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