Technical Report: The Graph Spectral Token -- Enhancing Graph Transformers with Spectral Information

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Hauptverfasser: Pengmei, Zihan, Li, Zimu
Format: Preprint
Veröffentlicht: 2024
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author Pengmei, Zihan
Li, Zimu
author_facet Pengmei, Zihan
Li, Zimu
contents Graph Transformers have emerged as a powerful alternative to Message-Passing Graph Neural Networks (MP-GNNs) to address limitations such as over-squashing of information exchange. However, incorporating graph inductive bias into transformer architectures remains a significant challenge. In this report, we propose the Graph Spectral Token, a novel approach to directly encode graph spectral information, which captures the global structure of the graph, into the transformer architecture. By parameterizing the auxiliary [CLS] token and leaving other tokens representing graph nodes, our method seamlessly integrates spectral information into the learning process. We benchmark the effectiveness of our approach by enhancing two existing graph transformers, GraphTrans and SubFormer. The improved GraphTrans, dubbed GraphTrans-Spec, achieves over 10% improvements on large graph benchmark datasets while maintaining efficiency comparable to MP-GNNs. SubFormer-Spec demonstrates strong performance across various datasets.
format Preprint
id arxiv_https___arxiv_org_abs_2404_05604
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Technical Report: The Graph Spectral Token -- Enhancing Graph Transformers with Spectral Information
Pengmei, Zihan
Li, Zimu
Machine Learning
Graph Transformers have emerged as a powerful alternative to Message-Passing Graph Neural Networks (MP-GNNs) to address limitations such as over-squashing of information exchange. However, incorporating graph inductive bias into transformer architectures remains a significant challenge. In this report, we propose the Graph Spectral Token, a novel approach to directly encode graph spectral information, which captures the global structure of the graph, into the transformer architecture. By parameterizing the auxiliary [CLS] token and leaving other tokens representing graph nodes, our method seamlessly integrates spectral information into the learning process. We benchmark the effectiveness of our approach by enhancing two existing graph transformers, GraphTrans and SubFormer. The improved GraphTrans, dubbed GraphTrans-Spec, achieves over 10% improvements on large graph benchmark datasets while maintaining efficiency comparable to MP-GNNs. SubFormer-Spec demonstrates strong performance across various datasets.
title Technical Report: The Graph Spectral Token -- Enhancing Graph Transformers with Spectral Information
topic Machine Learning
url https://arxiv.org/abs/2404.05604