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We provide a criterion to distinguish two graphs which are indistinguishable by $2$-dimensional Weisfeiler-Lehman algorithm for almost all graphs. Haemers conjectured that almost all graphs are identified by their spectrum. Our approach…

Combinatorics · Mathematics 2025-11-21 Wei Wang , Da Zhao

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

We consider a hierarchy of graph invariants that naturally extends the spectral invariants defined by F\"urer (Lin. Alg. Appl. 2010) based on the angles formed by the set of standard basis vectors and their projections onto eigenspaces of…

Computational Complexity · Computer Science 2025-05-06 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

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

The classical Weisfeiler-Lehman method WL[2] uses edge colors to produce a powerful graph invariant. It is at least as powerful in its ability to distinguish non-isomorphic graphs as the most prominent algebraic graph invariants. It…

Data Structures and Algorithms · Computer Science 2017-04-05 Martin Fürer

In comparison to graphs, combinatorial methods for the isomorphism problem of finite groups are less developed than algebraic ones. To be able to investigate the descriptive complexity of finite groups and the group isomorphism problem, we…

Logic in Computer Science · Computer Science 2021-11-24 Jendrik Brachter , Pascal Schweitzer

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

Two simple undirected graphs are cospectral if their respective adjacency matrices have the same multiset of eigenvalues. Cospectrality yields an equivalence relation on the family of graphs which is provably weaker than isomorphism. In…

Data Structures and Algorithms · Computer Science 2023-06-21 Gaurav Rattan , Tim Seppelt

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

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

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.…

In this paper we study the complexity of the following problems: Given a colored graph X=(V,E,c), compute a minimum cardinality set S of vertices such that no nontrivial automorphism of X fixes all vertices in S. A closely related problem…

Computational Complexity · Computer Science 2016-06-15 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Sebastian Kuhnert , Gaurav Rattan

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

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

In 2002, D. Fon-Der-Flaass constructed a prolific family of strongly regular graphs. In this paper, we prove that for infinitely many natural numbers $n$, this family contains $n^{\Omega(n^{2/3})}$ strongly regular $n$-vertex graphs $X$…

Combinatorics · Mathematics 2023-12-04 Jinzhuan Cai , Jin Guo , Alexander L. Gavrilyuk , Ilia Ponomarenko

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the $k$-dimensional Weisfeiler-Leman ($k$WL) test, a widely-recognized method for verifying…

Machine Learning · Computer Science 2024-03-29 Matthias Lanzinger , Pablo Barceló

We show that on graphs with n vertices, the 2-dimensional Weisfeiler-Leman algorithm requires at most O(n^2/log(n)) iterations to reach stabilization. This in particular shows that the previously best, trivial upper bound of O(n^2) is…

Logic in Computer Science · Computer Science 2023-06-22 Sandra Kiefer , Pascal Schweitzer

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

The problem of graph isomorphism is an important but challenging problem in the field of graph analysis, for example: analyzing the similarity of two chemical molecules, or studying the expressive ability of graph neural networks. WL test…

Other Computer Science · Computer Science 2024-02-14 Wanghan Xu

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…

Machine Learning · Computer Science 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts