提出局部嵌入演化距离,精准定位图神经网络过平滑问题
LEED: Local Embedding Evolution Distance for over-smoothing estimation and virtual node selection in GNN

- 通过追踪节点嵌入跨层演变,实现局部过平滑度量
- 发现不同节点过平滑程度差异显著,全局指标难以捕捉
- 基于该度量构建虚拟节点,提升长距离信息传递效率
图神经网络(GNN)存在两个根本缺陷:过平滑(节点表示随层数加深趋于不可区分)和过挤压(长程信息被压缩在有限的消息传递通道中)。现有度量如狄利克雷能量仅提供全局过平滑表征,缺乏对节点级行为的解析能力,也难指导结构改进。本文提出一种新型局部度量 LEED(Local Embedding Evolution Distance),通过追踪单个节点嵌入在各层间的演化过程,量化过平滑现象。其局部性可实现训练过程中表示动态的细粒度分析,揭示全局能量度量无法察觉的异质性过平滑模式。由此生成的节点重要性得分可解释为嵌入驱动的中心性度量,并用于设计更高效的虚拟节点选择策略。相比依赖多种启发式中心性度量的现有方法,本方案以 LEED 为唯一准则构建局部虚拟节点,缓解过挤压问题。实验表明,LEED 在诊断精度上优于狄利克雷能量,同时保持全局评估能力,并显著提升虚拟节点集成效果,有效改善 GNN 在多个数据集上的性能。
原文摘要 · Abstract (English)
Graph Neural Networks (GNNs) suffer from two fundamental limitations: over-smoothing, where node representations become indistinguishable with depth, and over-squashing, where long-range information is compressed through limited message-passing channels. Existing metrics such as Dirichlet energy provide global characterizations of over-smoothing but lack the resolution to analyze node-level behavior and guide architectural improvements. In this paper, we propose LEED (Local Embedding Evolution Distance), a novel local metric that quantifies over-smoothing by tracking the evolution of individual node embeddings across layers. By operating at the node level, LEED enables fine-grained analysis of representation dynamics during training, revealing heterogeneous over-smoothing patterns that are invisible to global energy-based measures. This locality induces informative node importance scores, interpreted as embedding-driven centrality measures. We leverage LEED to design a more efficient strategy for virtual node selection. Unlike existing approaches that depend on multiple heuristic centrality measures, our method uses LEED as a unique criterion to guide the construction of Local Virtual Nodes to mitigate over-squashing. Experiments show that LEED provides more informative diagnostics than Dirichlet energy while preserving global evaluation, and enables more effective virtual node integration, improving GNN performance across datasets.
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