关于Weisfeiler-Lehman测试及其变体的简短教程

Ningyuan Huang, Soledad Villar
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引用次数: 25

摘要

图神经网络是用来学习图上的函数的。通常,相关的目标函数对于置换的动作是不变的。因此,一些图神经网络架构的设计受到了图同构算法的启发。经典的Weisfeiler-Lehman算法(WL)是一种基于颜色细化的图同构检验,与图神经网络的研究密切相关。WL检验可以推广到一个层次的高阶检验,称为k-WL。这种层次结构被用来描述图神经网络的表达能力,并启发图神经网络架构的设计。在文献中出现了一些WL层次结构的变体。这篇短文的目的是教学和实践:我们解释了WL和民间传说-WL表述之间的区别,并指出了文献中现有的讨论。我们通过一个可视化的例子来说明这些公式之间的区别。
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A Short Tutorial on The Weisfeiler-Lehman Test And Its Variants
Graph neural networks are designed to learn functions on graphs. Typically, the relevant target functions are invariant with respect to actions by permutations. Therefore the design of some graph neural network architectures has been inspired by graph-isomorphism algorithms.The classical Weisfeiler-Lehman algorithm (WL)—a graph-isomorphism test based on color refinement—became relevant to the study of graph neural networks. The WL test can be generalized to a hierarchy of higher-order tests, known as k-WL. This hierarchy has been used to characterize the expressive power of graph neural networks, and to inspire the design of graph neural network architectures.A few variants of the WL hierarchy appear in the literature. The goal of this short note is pedagogical and practical: We explain the differences between the WL and folklore-WL formulations, with pointers to existing discussions in the literature. We illuminate the differences between the formulations by visualizing an example.
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