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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…

机器学习 · 计算机科学 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

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…

数据结构与算法 · 计算机科学 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

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…

机器学习 · 计算机科学 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically --…

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…

机器学习 · 统计学 2022-11-03 Ningyuan Huang , Soledad Villar

Twin-width is a graph parameter introduced in the context of first-order model checking, and has since become a central parameter in algorithmic graph theory. While many algorithmic problems become easier on arbitrary classes of bounded…

组合数学 · 数学 2026-01-12 Irene Heinrich , Moritz Lichter , Klara Pakhomenko , Simon Raßmann

The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

机器学习 · 计算机科学 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

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…

离散数学 · 计算机科学 2022-07-19 Sandra Kiefer , Daniel Neuen

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

机器学习 · 计算机科学 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a fruitful approach to the Graph Isomorphism problem. 2-WL corresponds to the original algorithm suggested by Weisfeiler and Leman over 50 years ago. 1-WL is the classical color…

离散数学 · 计算机科学 2019-04-10 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

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…

机器学习 · 计算机科学 2026-05-25 Reijo Jaakkola , Tomi Janhunen , Antti Kuusisto , Magdalena Ortiz , Matias Selin , Mantas Šimkus

Weisfeiler-Leman Features (WLFs) are a recently introduced classical machine learning tool for learning to plan and search. They have been shown to be both theoretically and empirically superior to existing deep learning approaches for…

人工智能 · 计算机科学 2025-08-27 Dillon Z. Chen

The isomorphism problem is a fundamental problem in network analysis, which involves capturing both low-order and high-order structural information. In terms of extracting low-order structural information, graph isomorphism algorithms…

数据结构与算法 · 计算机科学 2023-07-28 Yifan Feng , Jiashu Han , Shihui Ying , Yue Gao

Knowledge graphs, modeling multi-relational data, improve numerous applications such as question answering or graph logical reasoning. Many graph neural networks for such data emerged recently, often outperforming shallow architectures.…

机器学习 · 计算机科学 2022-12-01 Pablo Barcelo , Mikhail Galkin , Christopher Morris , Miguel Romero Orth

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection…

机器学习 · 计算机科学 2023-03-01 Giannis Nikolentzos , Michail Chatzianastasis , Michalis Vazirgiannis

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…

机器学习 · 计算机科学 2022-12-09 Franka Bause , Nils M. Kriege

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 $n$…

组合数学 · 数学 2020-07-31 Frank Fuhlbrück , Johannes Köbler , Ilia Ponomarenko , Oleg Verbitsky

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…

机器学习 · 计算机科学 2022-01-11 Martin Grohe

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…

离散数学 · 计算机科学 2022-06-22 Sandra Kiefer , Daniel Neuen

As it is well known, the isomorphism problem for vertex-colored graphs with color multiplicity at most 3 is solvable by the classical 2-dimensional Weisfeiler-Leman algorithm (2-WL). On the other hand, the prominent Cai-F\"urer-Immerman…

计算复杂性 · 计算机科学 2020-03-18 Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky
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