Related papers: Weisfeiler-Lehman meets Gromov-Wasserstein

The expressive power of message passing neural networks (MPNNs) is known to match the expressive power of the 1-dimensional Weisfeiler-Leman graph (1-WL) isomorphism test. To boost the expressive power of MPNNs, a number of graph neural…

Since the Message Passing (Graph) Neural Networks (MPNNs) have a linear complexity with respect to the number of nodes when applied to sparse graphs, they have been widely implemented and still raise a lot of interest even though their…

Recently, many works studied the expressive power of graph neural networks (GNNs) by linking it to the $1$-dimensional Weisfeiler--Leman algorithm ($1\text{-}\mathsf{WL}$). Here, the $1\text{-}\mathsf{WL}$ is a well-studied heuristic for…

Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on…

We use the concept of a Kirchhoff resistor network (alternatively random walk on a network) to probe connected graphs and produce symmetry revealing canonical labelings of the graph(s) nodes and edges.

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…

A graph is said to be distance-hereditary if the distance function in every connected induced subgraph is the same as in the graph itself. We prove that the ordinary Weisfeiler-Leman algorithm correctly tests the isomorphism of any two…

The WL-dimension of a graph X is the smallest positive integer m such that the m-dimensional Weisfeiler-Leman algorithm correctly tests the isomorphism between X and any other graph. It is proved that the WL-dimension of any circulant graph…

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…

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…

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…

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…

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

It has been shown that a message passing neural networks (MPNNs), a popular family of neural networks for graph-structured data, are at most as expressive as the first-order Weisfeiler-Leman (1-WL) graph isomorphism test, which has…

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…

In this paper, we show that computing canonical labelings of graphs of bounded rank-width is in $\textsf{TC}^{2}$. Our approach builds on the framework of K\"obler & Verbitsky (CSR 2008), who established the analogous result for graphs of…

The $k$-dimensional Weisfeiler-Leman algorithm is a powerful tool in graph isomorphism testing. For an input graph $G$, the algorithm determines a canonical coloring of $s$-tuples of vertices of $G$ for each $s$ between 1 and $k$. We say…

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…

The pairwise interaction paradigm of graph machine learning has predominantly governed the modelling of relational systems. However, graphs alone cannot capture the multi-level interactions present in many complex systems and the expressive…

Supervised learning has recently garnered significant attention in the field of computational physics due to its ability to effectively extract complex patterns for tasks like solving partial differential equations, or predicting material…