论文标题

树++:基于截短的树的图形内核

Tree++: Truncated Tree Based Graph Kernels

论文作者

Ye, Wei, Wang, Zhen, Redberg, Rachel, Singh, Ambuj

论文摘要

图形结构的数据在许多应用程序域中普遍存在。一个基本问题是量化其相似性。图表通常用于此目的,将图分解为子结构并比较这些子结构。但是,大多数现有的图形内核都没有比例自适应的特性,即,它们无法比较多个粒度级别的图形。许多现实世界图,例如分子在不同水平的粒度上表现出结构。为了解决这个问题,我们在本文中提出了一个名为Tree ++的新图表。 Tree ++的核心是一个称为Path-Pattern图内核的图内核。 PATH-PARTHN GRAPH内核首先构建一个扎根于每个顶点的截断的BFS树,然后使用从根部到截断的BFS树中每个顶点的路径作为表示图形的特征​​。路径图形内核只能在细粒度上捕获图形相似性。为了捕获粗粒度的图形相似性,我们将一个称为“超级路径”的新概念纳入其中。超级路径包含扎根于路径顶点的截短的BFS树。我们对各种现实图表的评估表明,与以前的图内核相比,树++达到了最佳的分类精度。

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these substructures. However, most of the existing graph kernels do not have the property of scale-adaptivity, i.e., they cannot compare graphs at multiple levels of granularities. Many real-world graphs such as molecules exhibit structure at varying levels of granularities. To tackle this problem, we propose a new graph kernel called Tree++ in this paper. At the heart of Tree++ is a graph kernel called the path-pattern graph kernel. The path-pattern graph kernel first builds a truncated BFS tree rooted at each vertex and then uses paths from the root to every vertex in the truncated BFS tree as features to represent graphs. The path-pattern graph kernel can only capture graph similarity at fine granularities. In order to capture graph similarity at coarse granularities, we incorporate a new concept called super path into it. The super path contains truncated BFS trees rooted at the vertices in a path. Our evaluation on a variety of real-world graphs demonstrates that Tree++ achieves the best classification accuracy compared with previous graph kernels.

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