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In recent years, algorithms and neural architectures based on the Weisfeiler-Leman algorithm, a well-known heuristic for the graph isomorphism problem, emerged as a powerful tool for (supervised) machine learning with graphs and relational…

Machine Learning · Computer Science 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

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

In recent years, algorithms and neural architectures based on the Weisfeiler--Leman algorithm, a well-known heuristic for the graph isomorphism problem, have emerged as a powerful tool for machine learning with graphs and relational data.…

The individualization-refinement paradigm provides a strong toolbox for testing isomorphism of two graphs and indeed, the currently fastest implementations of isomorphism solvers all follow this approach. While these solvers are fast in…

Computational Complexity · Computer Science 2017-05-10 Daniel Neuen , Pascal Schweitzer

Line graph transformation has been widely studied in graph theory, where each node in a line graph corresponds to an edge in the original graph. This has inspired a series of graph neural networks (GNNs) applied to transformed line graphs,…

Machine Learning · Computer Science 2025-03-21 Fan Yang , Xingyue Huang

Graph neural networks are designed to learn functions on graphs. Typically, the relevant target functions are invariant with respect to actions by permutations. Therefore the design of some graph neural network architectures has been…

Machine Learning · Statistics 2022-11-03 Ningyuan Huang , Soledad Villar

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 propose a supervised learning approach for predicting an underlying graph from a set of graph signals. Our approach is based on linear regression. In the linear regression model, we predict edge-weights of a graph as the output, given a…

Information Theory · Computer Science 2018-11-06 Arun Venkitaraman , Hermina Petric Maretic , Saikat Chatterjee , Pascal Frossard

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

The classical Weisfeiler-Leman algorithm aka color refinement is fundamental for graph learning with kernels and neural networks. Originally developed for graph isomorphism testing, the algorithm iteratively refines vertex colors. On many…

Machine Learning · Computer Science 2022-12-09 Franka Bause , Nils M. Kriege

The Weisfeiler-Leman (WL) algorithm is a well-known combinatorial procedure for detecting symmetries in graphs and it is widely used in graph-isomorphism tests. It proceeds by iteratively refining a colouring of vertex tuples. The number of…

Discrete Mathematics · Computer Science 2021-07-01 Martin Grohe , Sandra Kiefer

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

We propose a novel framework for learning time-varying graphs from spatiotemporal measurements. Given an appropriate prior on the temporal behavior of signals, our proposed method can estimate time-varying graphs from a small number of…

Signal Processing · Electrical Eng. & Systems 2025-09-10 Haruki Yokota , Koki Yamada , Yuichi Tanaka , Antonio Ortega

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

Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to…

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

Machine Learning · Computer Science 2024-04-02 Quang Truong , Peter Chin

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

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

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

We investigate the power of graph isomorphism algorithms based on algebraic reasoning techniques like Gr\"obner basis computation. The idea of these algorithms is to encode two graphs into a system of equations that are satisfiable if and…

Computational Complexity · Computer Science 2015-02-23 Christoph Berkholz , Martin Grohe
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