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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

There is no known polynomial-time algorithm for graph isomorphism testing, but elementary combinatorial "refinement" algorithms seem to be very efficient in practice. Some philosophical justification is provided by a classical theorem of…

Combinatorics · Mathematics 2025-10-17 Michael Anastos , Matthew Kwan , Benjamin Moore

Lubiw showed that several variants of Graph Isomorphism are NP-complete, where the solutions are required to satisfy certain additional constraints [SICOMP 10, 1981]. One of these, called Isomorphism With Restrictions, is to decide for two…

Computational Complexity · Computer Science 2017-09-29 V. Arvind , Johannes Köbler , Sebastian Kuhnert , Jacobo Toran

In this paper we present a novel graph kernel framework inspired the by the Weisfeiler-Lehman (WL) isomorphism tests. Any WL test comprises a relabelling phase of the nodes based on test-specific information extracted from the graph, for…

Machine Learning · Computer Science 2015-09-23 Giovanni Da San Martino , Nicolò Navarin , Alessandro Sperduti

In this paper we resolve the complexity of the isomorphism problem on all but finitely many of the graph classes characterized by two forbidden induced subgraphs. To this end we develop new techniques applicable for the structural and…

Discrete Mathematics · Computer Science 2014-11-10 Pascal Schweitzer

Colour refinement is a basic algorithmic routine for graph isomorphism testing, appearing as a subroutine in almost all practical isomorphism solvers. It partitions the vertices of a graph into "colour classes" in such a way that all…

Data Structures and Algorithms · Computer Science 2014-05-01 Martin Grohe , Kristian Kersting , Martin Mladenov , Erkal Selman

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

The graph isomorphism (GI) problem, which asks whether two graphs are structurally identical, occupies a unique position in computational complexity -- it is neither known to be solvable in polynomial time, nor proven to be NP-complete. We…

Optimization and Control · Mathematics 2026-05-21 Wenjie Xiao , Mathieu Besançon , Patrick Gelß , Deborah Hendrych , Stefan Klus , Sebastian Pokutta

Given two graphs $H$ and $G$, the Subgraph Isomorphism problem asks if $H$ is isomorphic to a subgraph of $G$. While NP-hard in general, algorithms exist for various parameterized versions of the problem: for example, the problem can be…

Data Structures and Algorithms · Computer Science 2013-08-27 Dániel Marx , Michał Pilipczuk

We propose a novel method using a quantum annealer -- an analog quantum computer based on the principles of quantum adiabatic evolution -- to solve the Graph Isomorphism problem, in which one has to determine whether two graphs are…

Quantum Physics · Physics 2013-05-30 Itay Hen , A. P. Young

We give an isomorphism test that runs in time $n^{\operatorname{polylog}(h)}$ on all $n$-vertex graphs excluding some $h$-vertex vertex graph as a topological subgraph. Previous results state that isomorphism for such graphs can be tested…

Data Structures and Algorithms · Computer Science 2025-04-21 Daniel Neuen

We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell{}$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell{}$MPNN, that can count cycles up to length $r + 2$. Most notably, we show that…

Machine Learning · Computer Science 2024-11-08 Raffaele Paolino , Sohir Maskey , Pascal Welke , Gitta Kutyniok

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

An explicit algorithm is presented for testing whether two non-directed graphs are isomorphic or not. It is shown that for a graph of n vertices, the number of n independent operations needed for the test is polynomial in n. A proof that…

Data Structures and Algorithms · Computer Science 2007-05-23 Moshe Schwartz

We present the implementation of an algorithm for graph isomorphism testing, based on ideas about number of walks (of sufficiently large length) between vertices. The algorithm is expanded for strongly regular graphs (SRG-s) by testing the…

Combinatorics · Mathematics 2007-05-23 Michal Kaukic

The computational cost of simulating quantum many-body systems can often be reduced by taking advantage of physical symmetries. While methods exist for specific symmetry classes, a general algorithm to find the full permutation symmetry…

Quantum Physics · Physics 2025-12-01 Saumya Shah , Patrick Rebentrost

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

Properties of the `$k$-equivalent' graph families constructed in Cai, F\"{u}rer and Immerman, and Evdokimov and Ponomarenko are analysed relative the the recursive $k$-dim WL method. An extension to the recursive $k$-dim WL method is…

Combinatorics · Mathematics 2011-01-28 B. L. Douglas

The Weisfeiler-Lehman (WL) test is a widely used algorithm in graph machine learning, including graph kernels, graph metrics, and graph neural networks. However, it focuses only on the consistency of the graph, which means that it is unable…

Machine Learning · Computer Science 2023-05-02 Zhongxi Fang , Jianming Huang , Xun Su , Hiroyuki Kasai

We show that the problem to decide whether two (convex) polytopes, given by their vertex-facet incidences, are combinatorially isomorphic is graph isomorphism complete, even for simple or simplicial polytopes. On the other hand, we give a…

Combinatorics · Mathematics 2007-05-23 Volker Kaibel , Alexander Schwartz
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