用几何区域表示图结构,高效估算相似度
Graph2Region: Efficient Graph Similarity Learning with Structure and Scale Restoration
- 将节点转为闭合区域,保留图的结构与规模信息
- 在嵌入空间中通过区域重叠近似最大公共子图,准确率提升60%
- 可同时预测图编辑距离和最大公共子图,适合图检索任务
图相似性在图检索等任务中至关重要,常用最大公共子图(MCS)和图编辑距离(GED)衡量。但二者精确计算均为NP难问题。现有神经方法虽能缓解计算负担,却或需大量节点对比较,或未能有效利用图的结构与尺度信息。为此,本文提出新型几何驱动的图嵌入方法Graph2Region(G2R)。G2R将节点表示为闭合区域,并在嵌入空间中恢复其邻接模式。结合节点特征与邻接关系,G2R生成图区域(即图嵌入),其中形状反映底层结构,体积表征图大小。区域重叠程度可作为MCS的近似,体现相似节点区域与邻接模式。进一步分析了MCS与GED的关系,提出以不相交部分作为GED相似性的代理。该设计支持MCS与GED的并行计算,融合局部与全局结构信息。实验表明,G2R在图相似性计算上表现优异:相比最优基线,在MCS相似性学习上相对准确率最高提升60.0%,且训练与推理均高效。此外,能同时预测MCS与GED相似性,实现图相似性的整体评估。代码已开源。
原文摘要 · Abstract (English)
Graph similarity is critical in graph-related tasks such as graph retrieval, where metrics like maximum common subgraph (MCS) and graph edit distance (GED) are commonly used. However, exact computations of these metrics are known to be NP-Hard. Recent neural network-based approaches approximate the similarity score in embedding spaces to alleviate the computational burden, but they either involve expensive pairwise node comparisons or fail to effectively utilize structural and scale information of graphs. To tackle these issues, we propose a novel geometric-based graph embedding method called Graph2Region (G2R). G2R represents nodes as closed regions and recovers their adjacency patterns within graphs in the embedding space. By incorporating the node features and adjacency patterns of graphs, G2R summarizes graph regions, i.e., graph embeddings, where the shape captures the underlying graph structures and the volume reflects the graph size. Consequently, the overlap between graph regions can serve as an approximation of MCS, signifying similar node regions and adjacency patterns. We further analyze the relationship between MCS and GED and propose using disjoint parts as a proxy for GED similarity. This analysis enables concurrent computation of MCS and GED, incorporating local and global structural information. Experimental evaluation highlights G2R's competitive performance in graph similarity computation. It achieves up to a 60.0\% relative accuracy improvement over state-of-the-art methods in MCS similarity learning, while maintaining efficiency in both training and inference. Moreover, G2R showcases remarkable capability in predicting both MCS and GED similarities simultaneously, providing a holistic assessment of graph similarity. Code available at https://github.com/liuzhouyang/Graph2Region.
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