English

Is 3-(F)WL Enough to Distinguish All 3D Graphs?

Other Computer Science 2024-02-14 v1 Artificial Intelligence

Abstract

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.

Keywords

Cite

@article{arxiv.2402.08429,
  title  = {Is 3-(F)WL Enough to Distinguish All 3D Graphs?},
  author = {Wanghan Xu},
  journal= {arXiv preprint arXiv:2402.08429},
  year   = {2024}
}