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Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Representing patterns as labeled graphs is becoming increasingly common in the broad field of computational intelligence. Accordingly, a wide repertoire of pattern recognition tools, such as classifiers and knowledge discovery procedures,…

Computer Vision and Pattern Recognition · Computer Science 2017-05-11 Lorenzo Livi

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

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 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-structured data arise in many scenarios. A fundamental problem is to quantify the similarities of graphs for tasks such as classification. R-convolution graph kernels are positive-semidefinite functions that decompose graphs into…

Machine Learning · Computer Science 2022-01-25 Wei Ye , Omid Askarisichani , Alex Jones , Ambuj Singh

We propose CRaWl, a novel neural network architecture for graph learning. Like graph neural networks, CRaWl layers update node features on a graph and thus can freely be combined or interleaved with GNN layers. Yet CRaWl operates…

Machine Learning · Computer Science 2023-08-22 Jan Tönshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał

This paper presents the Persistent Weisfeiler-Lehman Random walk scheme (abbreviated as PWLR) for graph representations, a novel mathematical framework which produces a collection of explainable low-dimensional representations of graphs…

Machine Learning · Computer Science 2022-08-30 Sun Woo Park , Yun Young Choi , Dosang Joe , U Jin Choi , Youngho Woo

This paper introduces a novel graph signal processing framework for building graph-based models from classes of filtered signals. In our framework, graph-based modeling is formulated as a graph system identification problem, where the goal…

Machine Learning · Computer Science 2018-03-08 Hilmi E. Egilmez , Eduardo Pavez , Antonio Ortega

We present a unified framework to study graph kernels, special cases of which include the random walk graph kernel \citep{GaeFlaWro03,BorOngSchVisetal05}, marginalized graph kernel \citep{KasTsuIno03,KasTsuIno04,MahUedAkuPeretal04}, and…

Machine Learning · Computer Science 2010-11-30 S. V. N. Vishwanathan , Karsten M. Borgwardt , Imre Risi Kondor , Nicol N. Schraudolph

Representational limits of message-passing graph neural networks (MP-GNNs), e.g., in terms of the Weisfeiler-Leman (WL) test for isomorphism, are well understood. Augmenting these graph models with topological features via persistent…

Machine Learning · Computer Science 2023-11-13 Johanna Immonen , Amauri H. Souza , Vikas Garg

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

Machine Learning · Computer Science 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it…

Machine Learning · Computer Science 2022-06-24 Jacob Bamberger

We consider the problem of designing spectral graph filters for the construction of dictionaries of atoms that can be used to efficiently represent signals residing on weighted graphs. While the filters used in previous spectral graph…

Functional Analysis · Mathematics 2013-11-06 David I Shuman , Christoph Wiesmeyr , Nicki Holighaus , Pierre Vandergheynst

Graph-based clustering has shown promising performance in many tasks. A key step of graph-based approach is the similarity graph construction. In general, learning graph in kernel space can enhance clustering accuracy due to the…

Machine Learning · Computer Science 2019-05-22 Zhao Kang , Honghui Xu , Boyu Wang , Hongyuan Zhu , Zenglin Xu

Since the Message Passing (Graph) Neural Networks (MPNNs) have a linear complexity with respect to the number of nodes when applied to sparse graphs, they have been widely implemented and still raise a lot of interest even though their…

Machine Learning · Computer Science 2021-06-15 Muhammet Balcilar , Pierre Héroux , Benoit Gaüzère , Pascal Vasseur , Sébastien Adam , Paul Honeine

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

Graph classification aims to categorise graphs based on their structure and node attributes. In this work, we propose to tackle this task using tools from graph signal processing by deriving spectral features, which we then use to design…

Machine Learning · Computer Science 2023-06-07 Felix L. Opolka , Yin-Cong Zhi , Pietro Liò , Xiaowen Dong

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He
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