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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

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

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

Multi-kernel learning (MKL) has been widely used in function approximation tasks. The key problem of MKL is to combine kernels in a prescribed dictionary. Inclusion of irrelevant kernels in the dictionary can deteriorate accuracy of MKL,…

Machine Learning · Computer Science 2021-02-10 Pouya M Ghari , Yanning Shen

Graph data widely exist in many high-impact applications. Inspired by the success of deep learning in grid-structured data, graph neural network models have been proposed to learn powerful node-level or graph-level representation. However,…

Machine Learning · Computer Science 2019-06-07 Jun Wu , Jingrui He , Jiejun Xu

The color refinement algorithm is mainly known as a heuristic method for graph isomorphism testing. It has surprising but natural characterizations in terms of, for example, homomorphism counts from trees and solutions to a system of linear…

Combinatorics · Mathematics 2023-12-20 Jan Böker

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

A fundamental problem on graph-structured data is that of quantifying similarity between graphs. Graph kernels are an established technique for such tasks; in particular, those based on random walks and return probabilities have proven to…

Machine Learning · Computer Science 2021-01-21 Leo Huang , Andrew Graven , David Bindel

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

Prior attacks on graph neural networks have mostly focused on graph poisoning and evasion, neglecting the network's weights and biases. Traditional weight-based fault injection attacks, such as bit flip attacks used for convolutional neural…

Machine Learning · Computer Science 2024-08-19 Lorenz Kummer , Samir Moustafa , Nils N. Kriege , Wilfried N. Gansterer

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

Machine Learning · Computer Science 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman

Our starting point is the observation that if graphs in a class C have low descriptive complexity in first order logic, then the isomorphism problem for C is solvable by a fast parallel algorithm (essentially, by a simple combinatorial…

Computational Complexity · Computer Science 2007-05-23 Martin Grohe , Oleg Verbitsky

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

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data…

Machine Learning · Computer Science 2023-08-09 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of…

Information Retrieval · Computer Science 2023-09-19 Xuheng Cai , Lianghao Xia , Xubin Ren , Chao Huang

Graph Neural Networks (GNNs) have emerged as a powerful tool for data-driven learning on various graph domains. They are usually based on a message-passing mechanism and have gained increasing popularity for their intuitive formulation,…

Machine Learning · Computer Science 2023-11-02 Giuseppe Alessio D'Inverno , Simone Brugiapaglia , Mirco Ravanelli

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

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

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

Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with different cardinalities, even when sampled from the same underlying distribution, remains challenging.…

Machine Learning · Computer Science 2026-05-08 Katharina Limbeck , Nadja Häusermann , Martin Carrasco , Guy Wolf , Bastian Rieck