arXiv:2505.21288cs.LGcs.AI2025-05

让图注意力网络学会理解图的结构信息,提升复杂数据建模能力。

Are Graph Attention Networks Able to Model Structural Information?

  • 引入匿名随机游走和图核提取结构特征,与节点属性联合建模
  • 在多个标准图分类与回归任务上超越现有最优方法
  • 适合需要捕捉高阶拓扑关系的图学习场景

图注意力网络(GATs)通过注意力机制自适应地加权邻接节点,在学习图数据表示方面表现出色。然而,现有方法主要依赖节点属性和直接邻接关系,常忽视能捕捉更高阶拓扑信息的丰富结构模式,而这些对真实世界数据至关重要。本文提出图结构注意力网络(GSAT),一种GAT的新扩展,通过联合集成基于属性和基于结构的表示来实现更有效的图学习。GSAT利用匿名随机游走(ARWs)和图核提取局部拓扑信息,使注意力机制能够依据底层图结构进行自适应调整。该设计增强了模型在复杂数据中识别有意义关系依赖的能力。在标准图分类与回归基准上的全面实验表明,GSAT在多个任务上持续优于当前最先进方法,凸显了引入结构上下文对图表示学习的价值。

原文摘要 · Abstract (English)

Graph Attention Networks (GATs) have emerged as powerful models for learning expressive representations from such data by adaptively weighting neighboring nodes through attention mechanisms. However, most existing approaches primarily rely on node attributes and direct neighborhood connections, often overlooking rich structural patterns that capture higher-order topological information crucial for many real-world datasets. In this work, we present the Graph Structure Attention Network (GSAT), a novel extension of GAT that jointly integrates attribute-based and structure-based representations for more effective graph learning. GSAT incorporates structural features derived from anonymous random walks (ARWs) and graph kernels to encode local topological information, enabling attention mechanisms to adapt based on the underlying graph structure. This design enhances the model's ability to discern meaningful relational dependencies within complex data. Comprehensive experiments on standard graph classification and regression benchmarks demonstrate that GSAT achieves consistent improvements over state-of-the-art graph learning methods, highlighting the value of incorporating structural context for representation learning on graphs.

图神经网络注意力机制结构建模

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