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GEDAN: Learning the Edit Costs for Graph Edit Distance
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本文提出一种新的图神经网络框架,通过监督和自监督训练近似计算图编辑距离,并集成了广义加性模型,显著提升了解释性和适应性,在分子分析和结构模式发现等领域具有应用价值。

arXiv:2508.03111v1 Announce Type: cross Abstract: 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). Most of these NN-based models simplify the problem of GED by assuming unit-cost edit operations, a rather unrealistic constraint in real-world applications. In this work, we present a novel Graph Neural Network framework that approximates GED using both supervised and unsupervised training. In the unsupervised setting, it employs a gradient-only self-organizing mechanism that enables optimization without ground-truth distances. Moreover, a core component of our architecture is the integration of a Generalized Additive Model, which allows the flexible and interpretable learning of context-aware edit costs. Experimental results show that the proposed method achieves similar results as state-of-the-art reference methods, yet significantly improves both adaptability and interpretability. That is, the learned cost function offers insights into complex graph structures, making it particularly valuable in domains such as molecular analysis and structural pattern discovery.

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图神经网络 图编辑距离 计算优化 分子分析 结构模式
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