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While lifting map has significantly enhanced the expressivity of graph neural networks, extending this paradigm to hypergraphs remains fragmented. To address this, we introduce the categorical Weisfeiler-Lehman framework, which formalizes…

Machine Learning · Computer Science 2026-02-09 Seongjin Choi , Gahee Kim , Se-Young Yun

Graph isomorphism, a classical algorithmic problem, determines whether two input graphs are structurally identical or not. Interestingly, it is one of the few problems that is not yet known to belong to either the P or NP-complete…

Data Structures and Algorithms · Computer Science 2024-10-01 Sourav Dutta , Arnab Bhattacharya

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

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

The majority of popular graph kernels is based on the concept of Haussler's $\mathcal{R}$-convolution kernel and defines graph similarities in terms of mutual substructures. In this work, we enrich these similarity measures by considering…

Machine Learning · Computer Science 2021-10-25 Till Hendrik Schulz , Pascal Welke , Stefan Wrobel

In this paper, we investigate the computational complexity of isomorphism testing for finite groups and quasigroups, given by their multiplication tables. We crucially take advantage of their various decompositions to show the following: -…

Data Structures and Algorithms · Computer Science 2026-02-05 Dan Johnson , Michael Levet , Petr Vojtěchovský , Brett Widholm

It is unknown whether two graphs can be tested for isomorphism in polynomial time. A classical approach to the Graph Isomorphism Problem is the d-dimensional Weisfeiler-Lehman algorithm. The d-dimensional WL-algorithm can distinguish many…

Combinatorics · Mathematics 2010-12-10 Harm Derksen

Random walk kernels have been introduced in seminal work on graph learning and were later largely superseded by kernels based on the Weisfeiler-Leman test for graph isomorphism. We give a unified view on both classes of graph kernels. We…

Machine Learning · Computer Science 2023-01-18 Nils M. Kriege

In this paper we consider the problems of testing isomorphism of tensors, $p$-groups, cubic forms, algebras, and more, which arise from a variety of areas, including machine learning, group theory, and cryptography. These problems can all…

Computational Complexity · Computer Science 2025-06-18 Joshua A. Grochow , Youming Qiao

We give an isomorphism test for graphs of Euler genus $g$ running in time $2^{O(g^4 \log g)}n^{O(1)}$. Our algorithm provides the first explicit upper bound on the dependence on $g$ for an fpt isomorphism test parameterized by the Euler…

Data Structures and Algorithms · Computer Science 2024-03-08 Daniel Neuen

Graph neural networks have become the de facto model for learning from structured data. However, the decision-making process of GNNs remains opaque to the end user, which undermines their use in safety-critical applications. Several…

Machine Learning · Computer Science 2026-05-12 Michele Fontanesi , Alessio Micheli , Marco Podda , Domenico Tortorella

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

The Colour Refinement procedure and its generalisation to higher dimensions, the Weisfeiler-Leman algorithm, are central subroutines in approaches to the graph isomorphism problem. In an iterative fashion, Colour Refinement computes a…

Discrete Mathematics · Computer Science 2020-05-21 Sandra Kiefer , Brendan D. McKay

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…

Computational Complexity · Computer Science 2020-03-18 Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

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 give an overview of recent advances on the graph isomorphism problem. Our main focus will be on Babai's quasi-polynomial time isomorphism test and subsequent developments that led to the design of isomorphism algorithms with a…

Data Structures and Algorithms · Computer Science 2021-01-15 Martin Grohe , 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

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

We investigate the power of counting in Group Isomorphism. We first leverage the count-free variant of the Weisfeiler--Leman Version I algorithm for groups (Brachter & Schweitzer, LICS 2020) in tandem with limited non-determinism and…

Data Structures and Algorithms · Computer Science 2024-01-24 Nathaniel A. Collins , Michael Levet

It is well known that almost all graphs are canonizable by a simple combinatorial routine known as color refinement, also referred to as the 1-dimensional Weisfeiler-Leman algorithm. With high probability, this method assigns a unique label…

Computational Complexity · Computer Science 2025-08-19 Oleg Verbitsky , Maksim Zhukovskii