arXiv:2412.15302cs.LG2024-12AAAI被引 7

用多粒度令牌捕捉图结构,提升节点分类效果

Tokenphormer: Structure-aware Multi-token Graph Transformer for Node Classification

  • 设计多类型游走生成细粒度令牌,灵活捕获局部与全局信息
  • 在多个公开数据集上超越现有方法,最高准确率提升2.3%
  • 适合处理复杂图结构的节点分类任务,尤其关注结构信息建模

图神经网络广泛应用于图数据挖掘任务。传统GNN采用消息传递机制,虽能有效利用局部和结构信息,但存在过平滑和过压缩问题,限制了感受野。图Transformer虽实现全局感受野,却易受无关节点噪声干扰并丢失结构信息。受自然语言处理中细粒度标记表示学习启发,本文提出结构感知多标记图Transformer(Tokenphormer),通过生成多个标记以有效捕捉局部与结构信息,并在不同粒度下探索全局信息。具体地,引入由四种游走类型组合生成的游走标记,灵活探索图结构并捕获上下文信息;为确保局部与全局信息覆盖,还引入通过自监督图预训练模型(SGPM)获得的SGPM标记及跳数标记,分别扩展游走标记的长度与密度。最终,这些丰富标记输入Transformer模型协同学习节点表示。实验表明,所提Tokenphormer在节点分类任务上达到当前最优性能。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) are widely used in graph data mining tasks. Traditional GNNs follow a message passing scheme that can effectively utilize local and structural information. However, the phenomena of over-smoothing and over-squashing limit the receptive field in message passing processes. Graph Transformers were introduced to address these issues, achieving a global receptive field but suffering from the noise of irrelevant nodes and loss of structural information. Therefore, drawing inspiration from fine-grained token-based representation learning in Natural Language Processing (NLP), we propose the Structure-aware Multi-token Graph Transformer (Tokenphormer), which generates multiple tokens to effectively capture local and structural information and explore global information at different levels of granularity. Specifically, we first introduce the walk-token generated by mixed walks consisting of four walk types to explore the graph and capture structure and contextual information flexibly. To ensure local and global information coverage, we also introduce the SGPM-token (obtained through the Self-supervised Graph Pre-train Model, SGPM) and the hop-token, extending the length and density limit of the walk-token, respectively. Finally, these expressive tokens are fed into the Transformer model to learn node representations collaboratively. Experimental results demonstrate that the capability of the proposed Tokenphormer can achieve state-of-the-art performance on node classification tasks.

图神经网络注意力机制节点分类多粒度表示

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