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      A Comprehensive Evaluation of Graph Kernels for Unattributed Graphs

      research-article
      1 , * , 2 , 1
      Entropy
      MDPI
      graph kernel, unattributed graph, time complexity, classification accuracy, graph dataset

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          Abstract

          Graph kernels are of vital importance in the field of graph comparison and classification. However, how to compare and evaluate graph kernels and how to choose an optimal kernel for a practical classification problem remain open problems. In this paper, a comprehensive evaluation framework of graph kernels is proposed for unattributed graph classification. According to the kernel design methods, the whole graph kernel family can be categorized in five different dimensions, and then several representative graph kernels are chosen from these categories to perform the evaluation. With plenty of real-world and synthetic datasets, kernels are compared by many criteria such as classification accuracy, F1 score, runtime cost, scalability and applicability. Finally, quantitative conclusions are discussed based on the analyses of the extensive experimental results. The main contribution of this paper is that a comprehensive evaluation framework of graph kernels is proposed, which is significant for graph-classification applications and the future kernel research.

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          Most cited references40

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          Universal computation by quantum walk.

          In some of the earliest work on quantum computing, Feynman showed how to implement universal quantum computation with a time-independent Hamiltonian. I show that this remains possible even if the Hamiltonian is restricted to be the adjacency matrix of a low-degree graph. Thus quantum walk can be regarded as a universal computational primitive, with any quantum computation encoded in some graph. The main idea is to implement quantum gates by scattering processes.
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            Maximum common subgraph isomorphism algorithms for the matching of chemical structures.

            The maximum common subgraph (MCS) problem has become increasingly important in those aspects of chemoinformatics that involve the matching of 2D or 3D chemical structures. This paper provides a classification and a review of the many MCS algorithms, both exact and approximate, that have been described in the literature, and makes recommendations regarding their applicability to typical chemoinformatics tasks.
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              Weisfeiler-Lehman graph kernels

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                Author and article information

                Journal
                Entropy (Basel)
                Entropy (Basel)
                entropy
                Entropy
                MDPI
                1099-4300
                18 December 2018
                December 2018
                : 20
                : 12
                : 984
                Affiliations
                [1 ]State Key Laboratory of Complex Electromagnetic Environment Effects on Electronics and Information System, Luoyang 471003, China
                [2 ]National Innovation Institute of Defense Technology, Academy of Military Science, Beijing 100071, China
                Author notes
                [* ]Correspondence: zhangyinudt@ 123456nudt.edu.cn ; Tel.: +86-137-8713-6328
                Article
                entropy-20-00984
                10.3390/e20120984
                7512582
                2b49ec52-091d-4db4-a639-abf823ad76e7
                © 2018 by the authors.

                Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license ( http://creativecommons.org/licenses/by/4.0/).

                History
                : 25 September 2018
                : 16 December 2018
                Categories
                Article

                graph kernel,unattributed graph,time complexity,classification accuracy,graph dataset

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