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Title: Edge distance graph kernel and its application to small molecule classification
Authors: Tan, Mehmet
Keywords: Graph Kernels
Graph Classification
Chemical Compound Classification
Issue Date: 2017
Publisher: TUBITAK Scientific & Technical Research Council Turkey
Source: Tan, M. (2017). Edge distance graph kernel and its application to small molecule classification. Turkish Journal of Electrical Engineering & Computer Sciences, 25(3), 2479-2490.
Abstract: Graph classification is an important problem in graph mining with various applications in different fields. Kernel methods have been successfully applied to this problem, recently producing promising results. A graph kernel that mostly specifies classification performance has to be defined in order to apply kernel methods to a graph classification problem. Although there are various previously proposed graph kernels, the problem is still worth investigating, as the available kernels are far from perfect. In this paper, we propose a new graph kernel based on a recently proposed concept called edge distance-k graphs. These new graphs are derived from the original graph and have the potential to be used as novel graph descriptors. We propose a method to convert these graphs into a multiset of strings that is further used to compute a kernel for graphs. The proposed graph kernel is then evaluated on various data sets in comparison to a recently proposed group of graph kernels. The results are promising, both in terms of performance and computational requirements.
ISSN: 1300-0632
Appears in Collections:Bilgisayar Mühendisliği Bölümü / Department of Computer Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
TR Dizin İndeksli Yayınlar / TR Dizin Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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