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The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

Most graph kernels are an instance of the class of $\mathcal{R}$-Convolution kernels, which measure the similarity of objects by comparing their substructures. Despite their empirical success, most graph kernels use a naive aggregation of…

Machine Learning · Computer Science 2019-10-31 Matteo Togninalli , Elisabetta Ghisu , Felipe Llinares-López , Bastian Rieck , Karsten Borgwardt

The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with…

Machine Learning · Computer Science 2021-01-21 Till Hendrik Schulz , Tamás Horváth , Pascal Welke , Stefan Wrobel

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

Most state-of-the-art graph kernels only take local graph properties into account, i.e., the kernel is computed with regard to properties of the neighborhood of vertices or other small substructures. On the other hand, kernels that do take…

Machine Learning · Computer Science 2017-09-25 Christopher Morris , Kristian Kersting , Petra Mutzel

The success of kernel methods has initiated the design of novel positive semidefinite functions, in particular for structured data. A leading design paradigm for this is the convolution kernel, which decomposes structured objects into their…

Machine Learning · Computer Science 2017-02-01 Nils M. Kriege , Pierre-Louis Giscard , Richard C. Wilson

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

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

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

While state-of-the-art kernels for graphs with discrete labels scale well to graphs with thousands of nodes, the few existing kernels for graphs with continuous attributes, unfortunately, do not scale well. To overcome this limitation, we…

Machine Learning · Computer Science 2016-10-04 Christopher Morris , Nils M. Kriege , Kristian Kersting , Petra Mutzel

Attributed graphs, typically characterized by irregular topologies and a mix of numerical and categorical attributes, are ubiquitous in diverse domains such as social networks, bioinformatics, and cheminformatics. While graph kernels…

Machine Learning · Computer Science 2025-11-17 Hong Huang , Chengyu Yao , Haiming Chen , Hang Gao

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 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

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

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

Kernels for structured data are commonly obtained by decomposing objects into their parts and adding up the similarities between all pairs of parts measured by a base kernel. Assignment kernels are based on an optimal bijection between the…

Machine Learning · Computer Science 2019-08-20 Nils M. Kriege

In this paper, we develop a new graph kernel, namely the Hierarchical Transitive-Aligned kernel, by transitively aligning the vertices between graphs through a family of hierarchical prototype graphs. Comparing to most existing…

Social and Information Networks · Computer Science 2020-02-12 Lu Bai , Lixin Cui , Edwin R. Hancock

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…

In this paper we present a novel graph kernel framework inspired the by the Weisfeiler-Lehman (WL) isomorphism tests. Any WL test comprises a relabelling phase of the nodes based on test-specific information extracted from the graph, for…

Machine Learning · Computer Science 2015-09-23 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti
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