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arXiv 2303.06147cs.LG
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Exphormer:面向图的稀疏Transformer

Exphormer: Sparse Transformers for Graphs

University of British Columbia(不列颠哥伦比亚大学);Google Research(谷歌研究院);Google(谷歌);Alberta Machine Intelligence Institute(阿尔伯塔机器智能研究所)

Hamed Shirzad, Ameya Velingker, Balaji Venkatachalam, Danica J. Sutherland, Ali Kemal Sinop

AI总结:

针对图Transformer难扩展到大图且精度不及消息传递网络的问题,提出基于虚拟全局节点与扩展图的稀疏注意力框架Exphormer,实现线性复杂度,结合GraphGPS后在多数据集取得竞争力结果,可扩展至更大规模图。

摘要:

图Transformer已成为一种有望用于各类图学习与表示任务的架构。然而尽管取得了诸多进展,如何将图Transformer扩展到大图规模、同时保持与消息传递网络相当的精度,仍是一个难题。本文提出Exphormer,这是一种构建高性能、可扩展图Transformer的框架。Exphormer的稀疏注意力机制基于两大组件:虚拟全局节点与expander graph(扩展图),后者的谱扩张性、伪随机性、稀疏性等数学特性,让图Transformer的复杂度仅与图规模呈线性关系,同时我们还能证明所得Transformer模型具备理想的理论性质。实验显示,将Exphormer整合到最新提出的GraphGPS框架中,模型在多种图数据集上取得了具有竞争力的实证结果,其中在3个数据集上达到了state-of-the-art(最优)水平。我们还证实,相比已有的图Transformer架构,Exphormer可扩展到包含更大规模图的数据集。代码可访问https://github.com/hamed1375/Exphormer获取。

英文摘要:

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining accuracy competitive with message-passing networks. In this paper, we introduce Exphormer, a framework for building powerful and scalable graph transformers. Exphormer consists of a sparse attention mechanism based on two mechanisms: virtual global nodes and expander graphs, whose mathematical characteristics, such as spectral expansion, pseduorandomness, and sparsity, yield graph transformers with complexity only linear in the size of the graph, while allowing us to prove desirable theoretical properties of the resulting transformer models. We show that incorporating Exphormer into the recently-proposed GraphGPS framework produces models with competitive empirical results on a wide variety of graph datasets, including state-of-the-art results on three datasets. We also show that Exphormer can scale to datasets on larger graphs than shown in previous graph transformer architectures. Code can be found at \url{https://github.com/hamed1375/Exphormer}.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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