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Non-linear kernel methods can be approximated by fast linear ones using suitable explicit feature maps allowing their application to large scale problems. We investigate how convolution kernels for structured data are composed from base…

Machine Learning · Computer Science 2019-11-26 Nils M. Kriege , Marion Neumann , Christopher Morris , Kristian Kersting , Petra Mutzel

A kernel of a directed graph is a subset of vertices that is both independent and absorbing (every vertex not in the kernel has an out-neighbour in the kernel). Not all directed graphs contain kernels, and computing a kernel or deciding…

Discrete Mathematics · Computer Science 2024-05-20 Bruno Jartoux

Node embeddings map graph vertices into low-dimensional Euclidean spaces while preserving structural information. They are central to tasks such as node classification, link prediction, and signal reconstruction. A key goal is to design…

Machine Learning · Computer Science 2026-02-18 Valentin de Bassompierre , Jean-Charles Delvenne , Laurent Jacques

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

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 neural networks (GNNs) have achieved superior performance on node classification tasks in the last few years. Commonly, this is framed in a transductive semi-supervised learning setup wherein the entire graph, including the target…

Machine Learning · Computer Science 2021-10-11 Artun Bayer , Arindam Chowdhury , Santiago Segarra

Provenance is a record that describes how entities, activities, and agents have influenced a piece of data; it is commonly represented as graphs with relevant labels on both their nodes and edges. With the growing adoption of provenance in…

Machine Learning · Computer Science 2021-09-16 David Kohan Marzagão , Trung Dong Huynh , Ayah Helal , Sean Baccas , Luc Moreau

In this paper, matching pairs of random graphs under the community structure model is considered. The problem emerges naturally in various applications such as privacy, image processing and DNA sequencing. A pair of randomly generated…

Cryptography and Security · Computer Science 2018-11-01 F. Shirani , S. Garg , E. Erkip

In recent years, kernel methods are widespread in tasks of similarity measuring. Specifically, graph kernels are widely used in fields of bioinformatics, chemistry and financial data analysis. However, existing methods, especially entropy…

Machine Learning · Computer Science 2023-03-27 Chengyu Sun , Xing Ai , Zhihong Zhang , Edwin R Hancock

Subgraph isomorphism counting is known as #P-complete and requires exponential time to find the accurate solution. Utilizing representation learning has been shown as a promising direction to represent substructures and approximate the…

Machine Learning · Computer Science 2024-05-14 Xin Liu , Weiqi Wang , Jiaxin Bai , Yangqiu Song

Many algorithms for ranked data become computationally intractable as the number of objects grows due to the complex geometric structure induced by rankings. An additional challenge is posed by partial rankings, i.e. rankings in which the…

Machine Learning · Computer Science 2022-07-19 Michelangelo Conserva , Marc Peter Deisenroth , K S Sesh Kumar

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

Graph convolutional networks gain remarkable success in semi-supervised learning on graph structured data. The key to graph-based semisupervised learning is capturing the smoothness of labels or features over nodes exerted by graph…

Machine Learning · Computer Science 2020-08-03 Bingbing Xu , Huawei Shen , Qi Cao , Keting Cen , Xueqi Cheng

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

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

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

Graph kernel is a powerful tool measuring the similarity between graphs. Most of the existing graph kernels focused on node labels or attributes and ignored graph hierarchical structure information. In order to effectively utilize graph…

Machine Learning · Computer Science 2020-11-03 Kai Ma , Peng Wan , Daoqiang Zhang

Many real-world graphs or networks are temporal, e.g., in a social network persons only interact at specific points in time. This information directs dissemination processes on the network, such as the spread of rumors, fake news, or…

Social and Information Networks · Computer Science 2021-08-23 Lutz Oettershagen , Nils M. Kriege , Christopher Morris , Petra Mutzel

We propose a new model, the Neighbor Mixture Model (NMM), for modeling node labels in a graph. This model aims to capture correlations between the labels of nodes in a local neighborhood. We carefully design the model so it could be an…

Machine Learning · Computer Science 2021-04-20 Linfeng Liu , Michael C. Hughes , Li-Ping Liu

Modern graph or network datasets often contain rich structure that goes beyond simple pairwise connections between nodes. This calls for complex representations that can capture, for instance, edges of different types as well as so-called…

Social and Information Networks · Computer Science 2020-02-19 Ilya Amburg , Nate Veldt , Austin R. Benson