3-(F)WL 是否足以区分所有三维图形?

Wanghan Xu
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引用次数: 0

摘要

图同构问题是图分析领域的一个重要而又具有挑战性的问题,例如:分析双化学分子的相似性或研究图神经网络的表达能力。WL 检验是一种判断两个图是否同构的方法,但它不能区分所有非同构图。作为 WL 的改进,k-WL 具有更强的同构判别能力,并且随着 k 的增大,其判别能力严格递增。然而,对于更复杂的三维图形,k-WL 的同构判别能力是否会严格递增,或者是否存在能判别所有三维图形的 k,仍有待探索。本文试图从图形生成的角度来探讨这个问题。
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Is 3-(F)WL Enough to Distinguish All 3D Graphs?
The problem of graph isomorphism is an important but challenging problem in the field of graph analysis, for example: analyzing the similarity of two chemical molecules, or studying the expressive ability of graph neural networks. WL test is a method to judge whether two graphs are isomorphic, but it cannot distinguish all non-isomorphic graphs. As an improvement of WL, k-WL has stronger isomorphism discrimination ability, and as k increases, its discrimination ability is strictly increasing. However, whether the isomorphic discrimination power of k-WL is strictly increasing for more complex 3D graphs, or whether there exists k that can discriminate all 3D graphs, remains unexplored. This paper attempts to explore this problem from the perspective of graph generation.
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