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Jun, 2023
CIN++:增强拓扑信息传递
CIN++: Enhancing Topological Message Passing
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Lorenzo Giusti, Teodora Reu, Francesco Ceccarelli, Cristian Bodnar, Pietro Liò
TL;DR
本文提出了CIN++,一种增强的细胞同构网络,通过允许细胞在每层中接收较低的信息,提供高阶和长程交互的更全面的表示,从而在大规模和长程化学基准测试中取得了最先进的结果。
Abstract
graph neural networks
(GNNs) have demonstrated remarkable success in learning from graph-structured data. However, they face significant limitations in expressive power, struggling with
long-range interactions
an
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