Related papers: Algebraic Combinatorics in Mathematical Chemistry.…
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…
An origin of the multidimensional Weisfeiler-Leman algorithm goes back to a refinement procedure of deep stabilization, introduced by B. Weisfeiler in a paper included in the collective monograph ``On construction and identification of…
The Weisfeiler-Leman (WL) algorithms form a family of incomplete approaches to the graph isomorphism problem. They recently found various applications in algorithmic group theory and machine learning. In fact, the algorithms form a…
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…
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 combinatorial refinement techniques have proven to be an efficient approach to isomorphism testing for particular classes of graphs. If the number of refinement rounds is small, this puts the corresponding isomorphism problem in a…
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…
In this paper we combine many of the standard and more recent algebraic techniques for testing isomorphism of finite groups (GpI) with combinatorial techniques that have typically been applied to Graph Isomorphism. In particular, we show…
Stars' chemical signatures provide invaluable insights into stellar cluster formation. This study utilized the Weisfeiler-Lehman (WL) Graph Kernel to examine a 15-dimensional elemental abundance space. Through simulating chemical…
The family of Weisfeiler-Leman equivalences on graphs is a widely studied approximation of graph isomorphism with many different characterizations. We study these, and other approximations of isomorphism defined in terms of refinement…
The $k$-dimensional Weisfeiler-Leman ($k$-WL) algorithm is a simple combinatorial algorithm that was originally designed as a graph isomorphism heuristic. It naturally finds applications in Babai's quasipolynomial time isomorphism…
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…
In this paper, we relate a beautiful theory by Lov\'asz with a popular heuristic algorithm for the graph isomorphism problem, namely the color refinement algorithm and its k-dimensional generalization known as the Weisfeiler-Leman…
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…
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…
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…
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…
A graph neural network (GNN) is a good choice for predicting the chemical properties of molecules. Compared with other deep networks, however, the current performance of a GNN is limited owing to the "curse of depth." Inspired by…
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…
An edge-weighted graph $G=(V,E)$ is called stable if the value of a maximum-weight matching equals the value of a maximum-weight fractional matching. Stable graphs play an important role in some interesting game theory problems, such as…