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Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We…

Machine Learning · Computer Science 2020-02-05 Nils M. Kriege , Fredrik D. Johansson , Christopher Morris

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

Graph-structured data arise in wide applications, such as computer vision, bioinformatics, and social networks. Quantifying similarities among graphs is a fundamental problem. In this paper, we develop a framework for computing graph…

Machine Learning · Statistics 2018-09-11 Zhen Zhang , Mianzhi Wang , Yijian Xiang , Yan Huang , Arye Nehorai

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

Machine Learning · Statistics 2020-06-30 Dexiong Chen , Laurent Jacob , Julien Mairal

Graph kernels are often used in bioinformatics and network applications to measure the similarity between graphs; therefore, they may be used to construct efficient graph classifiers. Many graph kernels have been developed thus far, but to…

Quantum Physics · Physics 2022-11-01 Kaito Kishi , Takahiko Satoh , Rudy Raymond , Naoki Yamamoto , Yasubumi Sakakibara

Constructing the adjacency graph is fundamental to graph-based clustering. Graph learning in kernel space has shown impressive performance on a number of benchmark data sets. However, its performance is largely determined by the chosen…

Machine Learning · Computer Science 2019-03-15 Zhao Kang , Liangjian Wen , Wenyu Chen , Zenglin Xu

Graph kernels have been successfully applied to many graph classification problems. Typically, a kernel is first designed, and then an SVM classifier is trained based on the features defined implicitly by this kernel. This two-stage…

Graph kernels are conventional methods for computing graph similarities. However, the existing R-convolution graph kernels cannot resolve both of the two challenges: 1) Comparing graphs at multiple different scales, and 2) Considering the…

Machine Learning · Computer Science 2024-05-14 Wei Ye , Hao Tian , Qijun Chen

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

We present novel graph kernels for graphs with node and edge labels that have ordered neighborhoods, i.e. when neighbor nodes follow an order. Graphs with ordered neighborhoods are a natural data representation for evolving graphs where…

Machine Learning · Computer Science 2018-05-30 Moez Draief , Konstantin Kutzkov , Kevin Scaman , Milan Vojnovic

Motivated by chemical applications, we revisit and extend a family of positive definite kernels for graphs based on the detection of common subtrees, initially proposed by Ramon et al. (2003). We propose new kernels with a parameter to…

Quantitative Methods · Quantitative Biology 2016-08-16 Pierre Mahé , Jean-Philippe Vert

The graphlet kernel is a classical method in graph classification. It however suffers from a high computation cost due to the isomorphism test it includes. As a generic proxy, and in general at the cost of losing some information, this test…

Machine Learning · Computer Science 2020-10-19 Hashem Ghanem , Nicolas Keriven , Nicolas Tremblay

We propose graph kernels based on subgraph matchings, i.e. structure-preserving bijections between subgraphs. While recently proposed kernels based on common subgraphs (Wale et al., 2008; Shervashidze et al., 2009) in general can not be…

Machine Learning · Computer Science 2012-07-03 Nils Kriege , Petra Mutzel

Graph kernels are usually defined in terms of simpler kernels over local substructures of the original graphs. Different kernels consider different types of substructures. However, in some cases they have similar predictive performances,…

Machine Learning · Computer Science 2016-07-22 Nicolò Navarin , Alessandro Sperduti , Riccardo Tesselli

With the recent rise in the amount of structured data available, there has been considerable interest in methods for machine learning with graphs. Many of these approaches have been kernel methods, which focus on measuring the similarity…

Machine Learning · Computer Science 2017-08-07 P. -L. Giscard , R. C. Wilson

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

Performance · Computer Science 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

Graph kernels have recently emerged as a promising approach for tackling the graph similarity and learning tasks at the same time. In this paper, we propose a general framework for designing graph kernels. The proposed framework capitalizes…

Machine Learning · Statistics 2018-08-09 Giannis Nikolentzos , Michalis Vazirgiannis

Graph kernels are widely used for measuring the similarity between graphs. Many existing graph kernels, which focus on local patterns within graphs rather than their global properties, suffer from significant structure information loss when…

Machine Learning · Computer Science 2019-12-02 Lingfei Wu , Ian En-Hsu Yen , Zhen Zhang , Kun Xu , Liang Zhao , Xi Peng , Yinglong Xia , Charu Aggarwal

The availability of graph data with node attributes that can be either discrete or real-valued is constantly increasing. While existing kernel methods are effective techniques for dealing with graphs having discrete node labels, their…

Machine Learning · Computer Science 2024-10-30 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

Graph-structured data are an integral part of many application domains, including chemoinformatics, computational biology, neuroimaging, and social network analysis. Over the last two decades, numerous graph kernels, i.e. kernel functions…

Machine Learning · Computer Science 2021-03-10 Karsten Borgwardt , Elisabetta Ghisu , Felipe Llinares-López , Leslie O'Bray , Bastian Rieck
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