HyPE-GT: where Graph Transformers meet Hyperbolic Positional Encodings

원문 초록

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and efficient framework that introduces Positional Encodings (PEs) into the Transformer, generating a set of learnable positional encodings in the hyperbolic space, a non-Euclidean domain. This approach empowers us to explore diverse options for optimal selection of PEs for specific downstream tasks, leveraging hyperbolic neural networks or hyperbolic graph convolutional networks. Additionally, we repurpose these positional encodings to mitigate the impact of over-smoothing in deep Graph Neural Networks (GNNs). Comprehensive experiments on molecular benchmark datasets, co-author, and co-purchase networks substantiate the effectiveness of hyperbolic positional encodings in enhancing the performance of deep GNNs.