École Polytechnique, France; Athens University of Economics and Business, Greece.
École Polytechnique, France; Noah's Ark Lab, Huawei, France.
Neural Netw. 2020 Oct;130:195-205. doi: 10.1016/j.neunet.2020.07.008. Epub 2020 Jul 10.
Graph neural networks (GNNs) have emerged recently as a powerful architecture for learning node and graph representations. Standard GNNs have the same expressive power as the Weisfeiler-Lehman test of graph isomorphism in terms of distinguishing non-isomorphic graphs. However, it was recently shown that this test cannot identify fundamental graph properties such as connectivity and triangle freeness. We show that GNNs also suffer from the same limitation. To address this limitation, we propose a more expressive architecture, k-hop GNNs, which updates a node's representation by aggregating information not only from its direct neighbors, but from its k-hop neighborhood. We show that the proposed architecture can identify fundamental graph properties. We evaluate the proposed architecture on standard node classification and graph classification datasets. Our experimental evaluation confirms our theoretical findings since the proposed model achieves performance better or comparable to standard GNNs and to state-of-the-art algorithms.
图神经网络 (GNN) 最近作为一种学习节点和图表示的强大架构出现。标准的 GNN 在区分非同构图方面具有与 Weisfeiler-Lehman 图同构测试相同的表达能力。然而,最近表明该测试无法识别连通性和三角形自由等基本图属性。我们表明 GNN 也存在相同的限制。为了解决这个限制,我们提出了一种更具表现力的架构,即 k-hop GNN,它通过聚合不仅来自其直接邻居,而且来自其 k-hop 邻居的信息来更新节点的表示。我们表明,所提出的架构可以识别基本的图属性。我们在标准的节点分类和图分类数据集上评估了所提出的架构。我们的实验评估证实了我们的理论发现,因为所提出的模型的性能优于或可与标准 GNN 和最先进的算法相媲美。