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GEDAN: Learning the Edit Costs for Graph Edit Distance

About

Graph Edit Distance (GED) is defined as the minimum cost transformation of one graph into another and is a widely adopted metric for measuring the dissimilarity between graphs. The major problem of GED is that its computation is NP-hard, which has in turn led to the development of various approximation methods, including approaches based on neural networks (NN). However, most NN methods assume a unit cost for edit operations -- a restrictive and often unrealistic simplification, since topological and functional distances rarely coincide in real-world data. In this paper, we propose a fully end-to-end Graph Neural Network framework for learning the edit costs for GED, at a fine-grained level, aligning topological and task-specific similarity. Our method combines an unsupervised self-organizing mechanism for GED approximation with a Generalized Additive Model that flexibly learns contextualized edit costs. Experiments demonstrate that our approach overcomes the limitations of non-end-to-end methods, yielding directly interpretable graph matchings, uncovering meaningful structures in complex graphs, and showing strong applicability to domains such as molecular analysis.

Francesco Leonardi, Markus Orsi, Jean-Louis Reymond, Kaspar Riesen• 2025

Related benchmarks

TaskDatasetResultRank
Graph Edit Distance ApproximationAIDS
RMSE2.82
36
Graph Edit Distance ApproximationMUTAG
RMSE4.08
27
Graph Edit Distance ApproximationPTC-MR
RMSE4.44
27
ClassificationBBBP
ROC-AUC0.748
20
RegressionFreeSolv
R^20.705
20
Graph Edit Distance ApproximationMutag (test)
RMSE3.36
18
Graph Edit Distance ApproximationPTC(MR) (test)
RMSE2.85
18
Graph Edit Distance ApproximationAIDS (test)
RMSE3.52
18
Graph Edit Distance ApproximationMUTAG Configuration 1 (test)
RMSE5.2
9
Graph Edit Distance ApproximationPTC MR Configuration 1 (test)
RMSE3.18
9
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