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For graph learning tasks, many existing methods utilize a message-passing mechanism where vertex features are updated iteratively by aggregation of neighbor information. This strategy provides an efficient means for graph features…

Machine Learning · Computer Science 2021-11-01 Jianming Huang , Zhongxi Fang , Hiroyuki Kasai

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

We consider the problem of classifying graphs using graph kernels. We define a new graph kernel, called the generalized shortest path kernel, based on the number and length of shortest paths between nodes. For our example classification…

Data Structures and Algorithms · Computer Science 2015-11-20 Linus Hermansson , Fredrik D. Johansson , Osamu Watanabe

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

Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these…

Machine Learning · Computer Science 2020-03-26 Wei Ye , Zhen Wang , Rachel Redberg , Ambuj Singh

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

We propose a learning framework for graph kernels, which is theoretically grounded on regularizing optimal transport. This framework provides a novel optimal transport distance metric, namely Regularized Wasserstein (RW) discrepancy, which…

Machine Learning · Computer Science 2021-10-11 Asiri Wijesinghe , Qing Wang , Stephen Gould

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 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

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

Within the context of Graph Signal Processing (GSP), Graph Learning (GL) is concerned with the inference of the graph's underlying structure from nodal observations. However, real-world data often contains diverse information, necessitating…

Signal Processing · Electrical Eng. & Systems 2023-11-08 Mohamad H. Alizade , Aref Einizade , Jhony H. Giraldo

In this paper, we propose a novel graph kernel, namely the Quantum-based Entropic Subtree Kernel (QESK), for Graph Classification. To this end, we commence by computing the Average Mixing Matrix (AMM) of the Continuous-time Quantum Walk…

Machine Learning · Computer Science 2022-12-13 Lu Bai , Lixin Cui , Edwin R. Hancock

Graph similarity computation (GSC) is to calculate the similarity between one pair of graphs, which is a fundamental problem with fruitful applications in the graph community. In GSC, graph edit distance (GED) and maximum common subgraph…

Machine Learning · Computer Science 2024-12-16 Haoran Zheng , Jieming Shi , Renchi Yang

We propose a novel method for comparing non-aligned graphs of different sizes, based on the Wasserstein distance between graph signal distributions induced by the respective graph Laplacian matrices. Specifically, we cast a new formulation…

Machine Learning · Computer Science 2020-03-16 Hermina Petric Maretic , Mireille El Gheche , Matthias Minder , Giovanni Chierchia , Pascal Frossard

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

Missing node attributes is a common problem in real-world graphs. Graph neural networks have been demonstrated power in graph representation learning while their performance is affected by the completeness of graph information. Most of them…

Machine Learning · Computer Science 2022-02-17 Zhixian Chen , Tengfei Ma , Yangqiu Song , Yang Wang

We present Wasserstein Embedding for Graph Learning (WEGL), a novel and fast framework for embedding entire graphs in a vector space, in which various machine learning models are applicable for graph-level prediction tasks. We leverage new…

Machine Learning · Computer Science 2021-03-03 Soheil Kolouri , Navid Naderializadeh , Gustavo K. Rohde , Heiko Hoffmann

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

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 signals are widely used to describe vertex attributes or features in graph-structured data, with applications spanning the internet, social media, transportation, sensor networks, and biomedicine. Graph signal processing (GSP) has…

Signal Processing · Electrical Eng. & Systems 2025-05-22 Yu Zhang , Linyu Peng , Bing-Zhao Li
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