arXiv:2410.07829cs.LG2024-10被引 1

1维GNN即使简单也难泛化,因VC维无限

A note on the VC dimension of 1-dimensional GNNs

  • 用VC维分析1维GNN泛化能力,发现参数少时仍无限
  • 无论是否用多项式激活函数,结果均显示无限VC维
  • 适合研究GNN理论局限的学者关注

图神经网络(GNN)已成为分析图结构数据的关键工具,能捕捉复杂关系信息。尽管其表达能力(如等价于1-WL同构测试)已有充分研究,但泛化能力仍需深入理解。本文通过考察Vapnik-Chervonenkis(VC)维,研究GNN的泛化性能。我们扩展了先前结果,证明单参数的1维GNN在无界图上具有无限VC维。此外,该结论对使用解析非多项式激活函数的GNN同样成立,包括最近被证明与1-WL测试等价的1维GNN。这些结果表明,从VC维视角看,即使是结构最简单的GNN也存在固有的泛化局限。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) have become an essential tool for analyzing graph-structured data, leveraging their ability to capture complex relational information. While the expressivity of GNNs, particularly their equivalence to the Weisfeiler-Leman (1-WL) isomorphism test, has been well-documented, understanding their generalization capabilities remains critical. This paper focuses on the generalization of GNNs by investigating their Vapnik-Chervonenkis (VC) dimension. We extend previous results to demonstrate that 1-dimensional GNNs with a single parameter have an infinite VC dimension for unbounded graphs. Furthermore, we show that this also holds for GNNs using analytic non-polynomial activation functions, including the 1-dimensional GNNs that were recently shown to be as expressive as the 1-WL test. These results suggest inherent limitations in the generalization ability of even the most simple GNNs, when viewed from the VC dimension perspective.

GNNVC维理论分析

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