Chami Ines, Ying Rex, Ré Christopher, Leskovec Jure
Institute for Computational and Mathematical Engineering, Stanford University.
Department of Computer Science, Stanford University.
Adv Neural Inf Process Syst. 2019 Dec;32:4869-4880.
Graph convolutional neural networks (GCNs) embed nodes in a graph into Euclidean space, which has been shown to incur a large distortion when embedding real-world graphs with scale-free or hierarchical structure. Hyperbolic geometry offers an exciting alternative, as it enables embeddings with much smaller distortion. However, extending GCNs to hyperbolic geometry presents several unique challenges because it is not clear how to define neural network operations, such as feature transformation and aggregation, in hyperbolic space. Furthermore, since input features are often Euclidean, it is unclear how to transform the features into hyperbolic embeddings with the right amount of curvature. Here we propose Hyperbolic Graph Convolutional Neural Network (HGCN), the first inductive hyperbolic GCN that leverages both the expressiveness of GCNs and hyperbolic geometry to learn inductive node representations for hierarchical and scale-free graphs. We derive GCNs operations in the hyperboloid model of hyperbolic space and map Euclidean input features to embeddings in hyperbolic spaces with different trainable curvature at each layer. Experiments demonstrate that HGCN learns embeddings that preserve hierarchical structure, and leads to improved performance when compared to Euclidean analogs, even with very low dimensional embeddings: compared to state-of-the-art GCNs, HGCN achieves an error reduction of up to 63.1% in ROC AUC for link prediction and of up to 47.5% in F1 score for node classification, also improving state-of-the art on the Pubmed dataset.
图卷积神经网络(GCN)将图中的节点嵌入到欧几里得空间中,而当嵌入具有无标度或层次结构的真实世界图时,这种方法会产生较大的失真。双曲几何提供了一种令人兴奋的替代方案,因为它能够实现失真小得多的嵌入。然而,将GCN扩展到双曲几何存在几个独特的挑战,因为尚不清楚如何在双曲空间中定义神经网络操作,如特征变换和聚合。此外,由于输入特征通常是欧几里得的,因此不清楚如何将特征变换为具有适当曲率的双曲嵌入。在此,我们提出了双曲图卷积神经网络(HGCN),这是首个归纳双曲GCN,它利用GCN的表现力和双曲几何来学习层次化和无标度图的归纳节点表示。我们在双曲空间的双曲面模型中推导GCN操作,并将欧几里得输入特征映射到每层具有不同可训练曲率的双曲空间中的嵌入。实验表明,HGCN学习到的嵌入保留了层次结构,并且与欧几里得类似物相比,即使在嵌入维度非常低的情况下,也能提高性能:与最先进的GCN相比,HGCN在链路预测的ROC AUC中实现了高达63.1%的误差降低,在节点分类的F1分数中实现了高达47.5%的误差降低,在PubMed数据集上也改进了当前的最优水平。