arXiv:2605.06588cs.LGcs.AI2026-05

通过几何约束提升神经图匹配对图编辑距离的忠实度。

Towards Metric-Faithful Neural Graph Matching

  • 引入双李普希茨编码器,优化图表示几何结构以提升匹配质量。
  • 在多个基准数据集上,新方法显著改善图编辑距离预测与排序性能。
  • 适合关注图匹配精度与模型可解释性的研究人员使用。

图编辑距离(GED)是衡量图结构相似性的基础指标,但计算复杂度为NP难。现有神经图匹配方法通常先用图神经网络(GNN)编码图,再通过回归或匹配模块近似GED。然而,编码器的几何特性对GED估计的影响尚不明确。本文建立理论框架,揭示两类神经GED估计器——图相似性预测器与基于对齐的方法——中编码器几何与估计质量的关系。在固定图集合上,我们证明双李普希茨编码器能产生受控的GED替代指标并提升排序稳定性;对于对齐类方法,节点级双李普希茨性质可传递至对齐成本,优化目标函数。我们以FSW-GNN(一种双李普希茨且等价于WL测试的编码器)作为即插即用模块替换主流架构,在多个基线与基准数据集上显著提升GED预测与排名指标。未训练编码器的忠实性案例研究、消融实验及迁移实验均表明,性能提升源于更优的表示几何,支持将编码器几何作为神经图匹配设计的重要原则。

原文摘要 · Abstract (English)

Graph Edit Distance (GED) is a fundamental, albeit NP-hard, metric for structural graph similarity. Recent neural graph matching architectures approximate GED by first encoding graphs with a Graph Neural Network (GNN) and then applying either a graph-level regression head or a matching-based alignment module. Despite substantial architectural progress, the role of encoder geometry in neural GED estimation remains poorly understood. In this paper, we develop a theoretical framework that connects encoder geometry to GED estimation quality for two broad classes of neural GED estimators: graph similarity predictors and alignment-based methods. On fixed graph collections, where the doubly-stochastic metric $d_{\mathrm{DS}}$ is comparable to GED, we show that graph-level bi-Lipschitz encoders yield controlled GED surrogates and improved ranking stability; for matching-based estimators, node-level bi-Lipschitz geometry propagates to encoder-induced alignment costs and the resulting optimized alignment objective. We instantiate this perspective using FSW-GNN, a bi-Lipschitz WL-equivalent encoder, as a drop-in replacement in representative neural GED architectures. Across representative baselines and benchmark datasets, the resulting geometry-aware variants significantly improve GED prediction and ranking metrics. A faithfulness case study of untrained encoders, together with ablations and transfer experiments, supports the view that these gains arise from improved representation geometry, positioning encoder geometry as a useful design principle for neural graph matching.

图匹配几何建模双李普希茨图编辑距离

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