Graph Transformer, due to its global attention mechanism, has emerged as a new tool in dealing with graph-structured data. It is well recognized that the global attention mechanism considers a wider receptive field in a fully connected graph, leading many to believe that useful information can be extracted from all the nodes. In this paper, we challenge this belief: does the globalizing property always benefit Graph Transformers? We reveal the over-globalizing problem in Graph Transformer by presenting both empirical evidence and theoretical analysis, i.e., the current attention mechanism overly focuses on those distant nodes, while the near nodes, which actually contain most of the useful information, are relatively weakened. Then we propose a novel Bi-Level Global Graph Transformer with Collaborative Training (CoBFormer), including the inter-cluster and intra-cluster Transformers, to prevent the over-globalizing problem while keeping the ability to extract valuable information from distant nodes. Moreover, the collaborative training is proposed to improve the model's generalization ability with a theoretical guarantee. Extensive experiments on various graphs well validate the effectiveness of our proposed CoBFormer.
翻译:图Transformer凭借其全局注意力机制,已成为处理图结构数据的新工具。众所周知,全局注意力机制在全连接图中考虑了更广的感受野,这使得许多人相信可以从所有节点中提取有用信息。在本文中,我们质疑这一观点:全局化特性是否总是有益于图Transformer?我们通过实证证据和理论分析揭示了图Transformer中的过度全局化问题,即当前注意力机制过度关注远端节点,而实际上包含大部分有用信息的近端节点则相对被弱化。为此,我们提出了一种新颖的双层全局图Transformer协同训练方法(CoBFormer),包含簇间和簇内Transformer,以在防止过度全局化问题的同时,保持从远端节点提取有价值信息的能力。此外,我们提出的协同训练方法在理论保障下提升了模型的泛化能力。在多种图上的广泛实验充分验证了我们所提出的CoBFormer的有效性。