论文标题

Weisfeiler和Leman进行双曲线:学习距离保存节点表示形式

Weisfeiler and Leman go Hyperbolic: Learning Distance Preserving Node Representations

论文作者

Nikolentzos, Giannis, Chatzianastasis, Michail, Vazirgiannis, Michalis

论文摘要

近年来,图形神经网络(GNN)已成为解决图表上的机器学习问题的有前途的工具。大多数GNN是通过神经网络(MPNN)的消息家族的成员。这些模型与同构的Weisfeiler-Leman(WL)测试之间有着密切的联系,这是一种可以成功地测试一系列图形类别的同构算法。最近,许多研究集中在衡量GNN的表达能力上。例如,已经显示出标准MPNN最多在区分非同构图的角度与WL一样强大。但是,这些研究在很大程度上忽略了节点/图的表示之间的距离,这对于学习任务至关重要。在本文中,我们定义了基于WL算法产生的层次结构之间的节点之间的距离函数,并提出了一个模型,该模型学习了保留节点之间距离的表示。由于新兴的层次结构对应于树,学习这些表示形式,因此我们利用双曲神经网络领域的最新进展。我们经验评估了在标准节点和图形分类数据集上提出的模型,在该数据集中它可以通过最新模型来实现竞争性能。

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection between these models and the Weisfeiler-Leman (WL) test of isomorphism, an algorithm that can successfully test isomorphism for a broad class of graphs. Recently, much research has focused on measuring the expressive power of GNNs. For instance, it has been shown that standard MPNNs are at most as powerful as WL in terms of distinguishing non-isomorphic graphs. However, these studies have largely ignored the distances between the representations of nodes/graphs which are of paramount importance for learning tasks. In this paper, we define a distance function between nodes which is based on the hierarchy produced by the WL algorithm, and propose a model that learns representations which preserve those distances between nodes. Since the emerging hierarchy corresponds to a tree, to learn these representations, we capitalize on recent advances in the field of hyperbolic neural networks. We empirically evaluate the proposed model on standard node and graph classification datasets where it achieves competitive performance with state-of-the-art models.

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