论文标题

k-hop消息传递图形神经网络的功能有多强大

How Powerful are K-hop Message Passing Graph Neural Networks

论文作者

Feng, Jiarui, Chen, Yixin, Li, Fuhai, Sarkar, Anindya, Zhang, Muhan

论文摘要

图形神经网络(GNNS)最流行的设计范式是1跳消息传递 - 反复从1-Hop邻居汇总信息。但是,1-霍普消息传递的表达能力受Weisfeiler-Lehman(1-WL)测试的界定。最近,研究人员通过同时从节点的K-Hop邻居汇总信息传递到K-HOP消息。但是,尚无分析k-hop消息传递的表达能力的工作。在这项工作中,我们从理论上表征了K-Hop消息传递的表达能力。具体而言,我们首先正式区分了两个不同的k-hop消息传递内核,它们在以前的作品中经常被滥用。然后,我们通过表明它比1-WL功能强大,并且可以区分几乎所有常规图的表达能力传递的表达能力。尽管具有较高的表达能力,但我们表明,K-Hop消息传递仍然无法区分一些简单的常规图,其表达能力由3-WL界定。为了进一步增强其表现力,我们引入了KP-GNN框架,该框架通过利用每个跳跃中的外围子图信息来改善K-HOP消息。我们表明,KP-GNN可以区分许多距离常规图,这些图无法通过以前的距离编码或3-WL方法来区分。实验结果验证了KP-GNN的表达能力和有效性。 KP-GNN在所有基准数据集中都取得了竞争成果。

The most popular design paradigm for Graph Neural Networks (GNNs) is 1-hop message passing -- aggregating information from 1-hop neighbors repeatedly. However, the expressive power of 1-hop message passing is bounded by the Weisfeiler-Lehman (1-WL) test. Recently, researchers extended 1-hop message passing to K-hop message passing by aggregating information from K-hop neighbors of nodes simultaneously. However, there is no work on analyzing the expressive power of K-hop message passing. In this work, we theoretically characterize the expressive power of K-hop message passing. Specifically, we first formally differentiate two different kernels of K-hop message passing which are often misused in previous works. We then characterize the expressive power of K-hop message passing by showing that it is more powerful than 1-WL and can distinguish almost all regular graphs. Despite the higher expressive power, we show that K-hop message passing still cannot distinguish some simple regular graphs and its expressive power is bounded by 3-WL. To further enhance its expressive power, we introduce a KP-GNN framework, which improves K-hop message passing by leveraging the peripheral subgraph information in each hop. We show that KP-GNN can distinguish many distance regular graphs which could not be distinguished by previous distance encoding or 3-WL methods. Experimental results verify the expressive power and effectiveness of KP-GNN. KP-GNN achieves competitive results across all benchmark datasets.

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