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Given a graph $G$, the graph $[G]$ obtained by adding, for each pair of vertices of $G$, a unique vertex adjacent to both vertices is called the binding graph of $G$. In this work, we show that the class of binding graphs is…

Combinatorics · Mathematics 2024-08-27 Rui Xue

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

The Weisfeiler-Leman (WL) algorithm is a combinatorial procedure that computes colorings on graphs, which can often be used to detect their (non-)isomorphism. Particularly the 1- and 2-dimensional versions 1-WL and 2-WL have received much…

Discrete Mathematics · Computer Science 2022-06-22 Sandra Kiefer , Daniel Neuen

We introduce a novel class of explicit feature maps based on topological indices that represent each graph by a compact feature vector, enabling fast and interpretable graph classification. Using radial basis function kernels on these…

Machine Learning · Computer Science 2025-09-23 Adam Wesołowski , Ronin Wu , Karim Essafi

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

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

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

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

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

Machine Learning · Computer Science 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

The rise of graph analytic systems has created a need for ways to measure and compare the capabilities of these systems. Graph analytics present unique scalability difficulties. The machine learning, high performance computing, and visual…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-07 Siddharth Samsi , Vijay Gadepally , Michael Hurley , Michael Jones , Edward Kao , Sanjeev Mohindra , Paul Monticciolo , Albert Reuther , Steven Smith , William Song , Diane Staheli , Jeremy Kepner

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a very useful combinatorial tool in graph isomorphism testing. We address the applicability of $k$-WL to recognition of graph properties. Let $G$ be an input graph with $n$…

Combinatorics · Mathematics 2020-07-31 Frank Fuhlbrück , Johannes Köbler , Ilia Ponomarenko , Oleg Verbitsky

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

In this paper, we propose a novel graph kernel method for the wireless link scheduling problem in device-to-device (D2D) networks on Riemannian manifold. The link scheduling problem can be considered as a binary classification problem since…

Signal Processing · Electrical Eng. & Systems 2021-06-28 Rashed Shelim , Ahmed S. Ibrahim

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

The study of networks has witnessed an explosive growth over the past decades with several ground-breaking methods introduced. A particularly interesting -- and prevalent in several fields of study -- problem is that of inferring a function…

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

We study the effect of structural variation in graph data on the predictive performance of graph kernels. To this end, we introduce a novel, noise-robust adaptation of the GraphHopper kernel and validate it on benchmark data, obtaining…

Machine Learning · Computer Science 2018-07-02 Rune Kok Nielsen , Andreas Nugaard Holm , Aasa Feragen

Graph neural networks (GNNs) have emerged recently as a powerful architecture for learning node and graph representations. Standard GNNs have the same expressive power as the Weisfeiler-Leman test of graph isomorphism in terms of…

Machine Learning · Statistics 2020-08-11 Giannis Nikolentzos , George Dasoulas , Michalis Vazirgiannis

We present a novel approach for graph classification based on tabularizing graph data via new variants of the Weisfeiler-Leman algorithm and then applying methods for tabular data. The variants are obtained by modifying the underlying…

Machine Learning · Computer Science 2026-05-25 Reijo Jaakkola , Tomi Janhunen , Antti Kuusisto , Magdalena Ortiz , Matias Selin , Mantas Šimkus
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