提出新型全局曲率度量,统一解释图神经网络过平滑与过压缩问题。
Local-Global Geometric Insights for Graph Neural Networks via Entropic Curvature

- 基于熵的传输凸性定义全局曲率,突破传统局部曲率局限。
- 证明稀疏性、强谱扩张与正曲率无法共存,揭示性能瓶颈本质。
- 设计三种可落地机制,显著提升多类图分类任务表现。
图上的曲率概念,特别是Ollivier-Ricci和Forman曲率,已成为解决图神经网络(GNNs)中过平滑与过压缩等根本问题的强大工具,但几乎完全依赖局部边级比较,无法验证信息在长距离传播的真实情况。本文提出熵曲率(Entropic Curvature),通过将Lott-Sturm-Villani框架扩展至图结构,基于Wasserstein测地线上熵的位移凸性构建全局、基于传输的曲率。定义了一个可计算的弱熵曲率代理,用于下界估计,并由此推导出:(i) 控制过平滑的Poincaré型不等式,(ii) 传输-熵泛化界,(iii) 一个展开悖论,证明在大型图中稀疏性、强谱扩张与正熵曲率无法共存,从而将过平滑与过压缩统一为单一曲率谱的两端。进一步将理论转化为三种实用机制:E-Gate聚合器、ENT结构编码和中点补全重连(MCR),在六个节点分类基准及图分类任务上,对比SDRF、FoSR、BORF、LCP和图 Ricci 流,均取得显著性能提升。
原文摘要 · Abstract (English)
Curvature notions on graphs, particularly Ollivier-Ricci and Forman, have emerged as powerful tools for addressing fundamental issues in Graph Neural Networks (GNNs) such as oversmoothing and oversquashing, but rely almost exclusively on local edge-level comparisons and therefore fail to certify how information actually propagates over long distances. We introduce Entropic Curvature, a global, transport-based curvature obtained by extending the Lott-Sturm-Villani framework to graphs through the displacement convexity of entropy along Wasserstein geodesics. We define a tractable Weak Entropic Curvature proxy that lower-bounds the global entropic curvature, and from it derive (i) a Poincare-type inequality controlling oversmoothing, (ii) a transport-entropy generalization bound, and (iii) an expansion paradox proving that sparsity, strong spectral expansion, and positive entropic curvature cannot coexist in large graphs, unifying oversmoothing and oversquashing as opposite ends of a single curvature spectrum. We translate the theory into three practical mechanisms, the E-Gate aggregator, the ENT structural encoding, and Midpoint-Completion Rewiring (MCR), and benchmark them against SDRF, FoSR, BORF, LCP, and Graph Ricci Flow on six node-classification benchmarks, and graph-classification.
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