用有效电阻重连解决图神经网络长程依赖问题
Effective Resistance Rewiring: A Simple Topological Correction for Over-Squashing
- 基于全局有效电阻识别结构瓶颈,动态重连弱连接
- 在固定边数预算下提升长距离信息传播能力
- 适合处理长程依赖强、易过挤的图数据
图神经网络因过挤现象难以捕捉长程依赖,即指数增长的邻域信息需通过少量结构瓶颈传递。现有重连方法多依赖局部准则(如曲率),可能忽略全局连通性限制。本文提出有效电阻重连(ERR),利用有效电阻作为全局信号检测结构瓶颈。该方法迭代添加电阻最大的节点对之间的边,同时移除电阻最小的边,在固定边预算下增强弱通信路径并控制图密度。过程无需额外参数,仅依赖跨节点对所有路径的全局聚合度量。实验显示,结合GCN模型时,ERR显著提升预测性能;通过追踪层间节点嵌入的余弦相似度,分析消息传播机制发现,改进主要源于长程通信增强而非嵌入几何变化。在同质与异质图(包括使用DirGCN的有向图)上均观察到过挤与过平滑的权衡——后者表现为层间表示多样性下降。电阻引导重连虽改善连通性,但会加速深层模型中的表示混合。结合PairNorm等归一化技术可稳定该权衡,进一步提升性能。
原文摘要 · Abstract (English)
Graph Neural Networks struggle to capture long-range dependencies due to over-squashing, where information from exponentially growing neighborhoods must pass through a small number of structural bottlenecks. While recent rewiring methods attempt to alleviate this limitation, many rely on local criteria such as curvature, which can overlook global connectivity constraints that restrict information flow. We introduce Effective Resistance Rewiring (ERR), a simple topology correction strategy that uses effective resistance as a global signal to detect structural bottlenecks. ERR iteratively adds edges between node pairs with the largest resistance while removing edges with minimal resistance, strengthening weak communication pathways while controlling graph densification under a fixed edge budget. The procedure is parameter-free beyond the rewiring budget and relies on a single global measure aggregating all paths between node pairs. Beyond predictive performance with GCN models, we analyze how rewiring affects message propagation. By tracking cosine similarity between node embeddings across layers, we examine how the relationship between initial node features and learned representations evolves during message passing, comparing graphs with and without rewiring. This analysis helps determine whether improvements arise from better long-range communication rather than changes in embedding geometry. Experiments on homophilic and heterophilic graphs, including directed settings with DirGCN, reveal a trade-off between over-squashing and oversmoothing, where oversmoothing corresponds to the loss of representation diversity across layers. Resistance-guided rewiring improves connectivity and signal propagation but can accelerate representation mixing in deep models. Combining ERR with normalization techniques such as PairNorm stabilizes this trade-off and improves performance.
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