用最优传输方法计算图编辑距离,更快更准。
Computing Approximate Graph Edit Distance via Optimal Transport
- 基于最优传输构建顶点耦合矩阵,考虑全局图结构上下文。
- 提出GEDIOT与GEDGW两种方法,显著提升距离计算精度。
- 适合需要高效准确图匹配的科研与工业场景。
给定一对图 $ (G^1, G^2) $,图编辑距离(GED)定义为将 $ G^1 $ 转换为 $ G^2 $ 所需的最少编辑操作数。GED 是许多应用中的基础操作,但其精确计算是 NP-hard 的,因此近似算法备受关注。数据驱动的基于学习的方法相比经典近似算法表现更优,但它们直接从顶点特征中拟合顶点对的耦合关系。本文认为,虽然顶点对特征可捕捉顶点间耦合成本(差异),但顶点耦合矩阵应通过更稳健的、考虑图对全局上下文的方法(如最优传输)从顶点对成本矩阵推导得出。本文提出一种集成方法,结合有监督学习与无监督方法,均基于最优传输。学习方法 GEDIOT 基于逆最优传输,利用可学习的 Sinkhorn 算法生成耦合矩阵;无监督方法 GEDGW 将 GED 计算建模为最优传输与变体 Gromov-Wasserstein 不一致性(分别用于节点和边操作)的线性组合,无需真实标签即可高效求解。集成方法 GEDHOT 融合 GEDIOT 与 GEDGW,进一步提升性能。大量实验表明,该方法在 GED 计算、编辑路径生成和模型泛化能力方面均显著优于现有方法。
原文摘要 · Abstract (English)
Given a graph pair $(G^1, G^2)$, graph edit distance (GED) is defined as the minimum number of edit operations converting $G^1$ to $G^2$. GED is a fundamental operation widely used in many applications, but its exact computation is NP-hard, so the approximation of GED has gained a lot of attention. Data-driven learning-based methods have been found to provide superior results compared to classical approximate algorithms, but they directly fit the coupling relationship between a pair of vertices from their vertex features. We argue that while pairwise vertex features can capture the coupling cost (discrepancy) of a pair of vertices, the vertex coupling matrix should be derived from the vertex-pair cost matrix through a more well-established method that is aware of the global context of the graph pair, such as optimal transport. In this paper, we propose an ensemble approach that integrates a supervised learning-based method and an unsupervised method, both based on optimal transport. Our learning method, GEDIOT, is based on inverse optimal transport that leverages a learnable Sinkhorn algorithm to generate the coupling matrix. Our unsupervised method, GEDGW, models GED computation as a linear combination of optimal transport and its variant, Gromov-Wasserstein discrepancy, for node and edge operations, respectively, which can be solved efficiently without needing the ground truth. Our ensemble method, GEDHOT, combines GEDIOT and GEDGW to further boost the performance. Extensive experiments demonstrate that our methods significantly outperform the existing methods in terms of the performance of GED computation, edit path generation, and model generalizability.
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