提出可处理任意编辑代价的图编辑距离神经估算方法
Graph Edit Distance with General Costs Using Neural Set Divergence
- 将图编辑距离建模为带四类操作代价的二次分配问题
- 用神经集合发散替代求解,显著降低计算复杂度
- 适用于需要精确编辑代价的图对比场景,如生物网络分析
图编辑距离(GED)衡量两图间的相似性,即通过最小成本编辑序列将一图转换为另一图。但精确计算GED是NP难问题,近期已有神经方法用于估计。然而,这些方法未显式处理不同编辑操作的差异代价。为此,本文提出GRAPHEDX,一种可支持四类编辑操作(边删除、边添加、节点删除、节点添加)任意代价设定的神经GED估计算法。首先将GED建模为包含四类代价的二次分配问题(QAP),再将每张图表示为节点与边嵌入集合,设计一组神经集合发散近似器替代原QAP中各操作项。通过Gumbel-Sinkhorn排列生成器学习两图节点与边的对齐,并确保对齐一致性及对边存在/缺失状态的敏感性。在多个数据集、多种编辑代价设置下的实验表明,GRAPHEDX在预测误差上持续优于现有最先进方法与启发式算法。
原文摘要 · Abstract (English)
Graph Edit Distance (GED) measures the (dis-)similarity between two given graphs, in terms of the minimum-cost edit sequence that transforms one graph to the other. However, the exact computation of GED is NP-Hard, which has recently motivated the design of neural methods for GED estimation. However, they do not explicitly account for edit operations with different costs. In response, we propose GRAPHEDX, a neural GED estimator that can work with general costs specified for the four edit operations, viz., edge deletion, edge addition, node deletion and node addition. We first present GED as a quadratic assignment problem (QAP) that incorporates these four costs. Then, we represent each graph as a set of node and edge embeddings and use them to design a family of neural set divergence surrogates. We replace the QAP terms corresponding to each operation with their surrogates. Computing such neural set divergence require aligning nodes and edges of the two graphs. We learn these alignments using a Gumbel-Sinkhorn permutation generator, additionally ensuring that the node and edge alignments are consistent with each other. Moreover, these alignments are cognizant of both the presence and absence of edges between node-pairs. Experiments on several datasets, under a variety of edit cost settings, show that GRAPHEDX consistently outperforms state-of-the-art methods and heuristics in terms of prediction error.
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