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.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Edit Distance Approximation | AIDS | RMSE2.82 | 36 | |
| Graph Edit Distance Approximation | MUTAG | RMSE4.08 | 27 | |
| Graph Edit Distance Approximation | PTC-MR | RMSE4.44 | 27 | |
| Classification | BBBP | ROC-AUC0.748 | 20 | |
| Regression | FreeSolv | R^20.705 | 20 | |
| Graph Edit Distance Approximation | Mutag (test) | RMSE3.36 | 18 | |
| Graph Edit Distance Approximation | PTC(MR) (test) | RMSE2.85 | 18 | |
| Graph Edit Distance Approximation | AIDS (test) | RMSE3.52 | 18 | |
| Graph Edit Distance Approximation | MUTAG Configuration 1 (test) | RMSE5.2 | 9 | |
| Graph Edit Distance Approximation | PTC MR Configuration 1 (test) | RMSE3.18 | 9 |