用分形节点增强MPNN,高效实现长程信息传递。
Are Graph Transformers Necessary? Efficient Long-Range Message Passing with Fractal Nodes in MPNNs
- 引入分形节点,通过子图特征聚合强化局部一致性。
- 解决过压缩问题,提升MPNN对长程依赖的建模能力。
- 性能媲美图变压器,仍保持MPNN的计算高效性。
图神经网络(GNN)在图结构数据学习中表现强劲,但难以平衡局部与全局信息。尽管图变压器通过长程交互缓解此问题,却常忽略消息传递神经网络(MPNN)的固有局部性与效率优势。本文提出分形节点概念,受真实世界网络分形结构启发,基于图划分自然产生分形结构的直觉——子图常反映全图连通模式。分形节点与原节点共存,自适应聚合子图级特征表示,从而强化每个子图内的特征相似性。实验表明,分形节点通过提供直接捷径连接,促进子图级表示的长程传播,缓解过压缩问题。该方法显著提升MPNN表达能力,在长程依赖建模上达到或超越图变压器性能,同时保持MPNN的计算高效性。
原文摘要 · Abstract (English)
Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions, they often overlook the inherent locality and efficiency of Message Passing Neural Networks (MPNNs). We propose a new concept called fractal nodes, inspired by the fractal structure observed in real-world networks. Our approach is based on the intuition that graph partitioning naturally induces fractal structure, where subgraphs often reflect the connectivity patterns of the full graph. Fractal nodes are designed to coexist with the original nodes and adaptively aggregate subgraph-level feature representations, thereby enforcing feature similarity within each subgraph. We show that fractal nodes alleviate the over-squashing problem by providing direct shortcut connections that enable long-range propagation of subgraph-level representations. Experiment results show that our method improves the expressive power of MPNNs and achieves comparable or better performance to graph Transformers while maintaining the computational efficiency of MPNN by improving the long-range dependencies of MPNN.
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