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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

Recent work shows that the expressive power of Graph Neural Networks (GNNs) in distinguishing non-isomorphic graphs is exactly the same as that of the Weisfeiler-Lehman (WL) graph test. In particular, they show that the WL test can be…

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

Aligning users across networks using graph representation learning has been found effective where the alignment is accomplished in a low-dimensional embedding space. Yet, achieving highly precise alignment is still challenging, especially…

Social and Information Networks · Computer Science 2023-01-02 Li Liu , Penggang Chen , Xin Li , William K. Cheung , Youmin Zhang , Qun Liu , Guoyin Wang

The expressive power of message passing GNNs is upper-bounded by Weisfeiler-Lehman (WL) test. To achieve high expressive GNNs beyond WL test, we propose a novel graph isomorphism test method, namely Twin-WL, which simultaneously passes node…

Machine Learning · Computer Science 2022-03-23 Zhaohui Wang , Qi Cao , Huawei Shen , Bingbing Xu , Xueqi Cheng

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

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 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 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

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively…

Machine Learning · Computer Science 2022-06-22 Yang Hu , Xiyuan Wang , Zhouchen Lin , Pan Li , Muhan Zhang

Graph Neural Networks (GNNs) have emerged as prominent models for representation learning on graph structured data. GNNs follow an approach of message passing analogous to 1-dimensional Weisfeiler Lehman (1-WL) test for graph isomorphism…

Machine Learning · Computer Science 2022-03-18 Mohammed Haroon Dupty , Wee Sun Lee

A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…

Machine Learning · Computer Science 2020-08-19 Katsuhiko Ishiguro , Kenta Oono , Kohei Hayashi

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. While graph kernel methods such as the Weisfeiler-Lehman…

Machine Learning · Computer Science 2024-12-12 Xuyuan Liu , Yinghao Cai , Qihui Yang , Yujun Yan

Identifying similar network structures is key to capture graph isomorphisms and learn representations that exploit structural information encoded in graph data. This work shows that ego-networks can produce a structural encoding scheme for…

Machine Learning · Computer Science 2022-12-09 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

We introduce the \emph{temporal graphlet kernel} for classifying dissemination processes in labeled temporal graphs. Such dissemination processes can be spreading (fake) news, infectious diseases, or computer viruses in dynamic networks.…

Social and Information Networks · Computer Science 2022-09-16 Lutz Oettershagen , Nils M. Kriege , Claude Jordan , Petra Mutzel

The Weisfeiler-Leman procedure is a widely-used technique for graph isomorphism testing that works by iteratively computing an isomorphism-invariant coloring of vertex tuples. Meanwhile, a fundamental tool in structural graph theory, which…

Discrete Mathematics · Computer Science 2022-07-19 Sandra Kiefer , Daniel Neuen

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node…

Machine Learning · Computer Science 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

The Weisfeiler-Leman (WL) algorithms form a family of incomplete approaches to the graph isomorphism problem. They recently found various applications in algorithmic group theory and machine learning. In fact, the algorithms form a…

Discrete Mathematics · Computer Science 2025-10-29 Thomas Schneider , Pascal Schweitzer