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Today we have a good theoretical understanding of the representational power of Graph Neural Networks (GNNs). For example, their limitations have been characterized in relation to a hierarchy of Weisfeiler-Lehman (WL) isomorphism tests.…

Machine Learning · Computer Science 2023-03-08 Mohammad Sadegh Akhondzadeh , Vijay Lingam , Aleksandar Bojchevski

The expressive power of message passing GNNs is upper-bounded by Weisfeiler-Lehman (WL) test. To achieve high expressive GNNs beyond WL test, we propose a novel graph isomorphism test method, namely Twin-WL, which simultaneously passes node…

Machine Learning · Computer Science 2022-03-23 Zhaohui Wang , Qi Cao , Huawei Shen , Bingbing Xu , Xueqi Cheng

An isomorphism between two graphs is a bijection between their vertices that preserves the edges. We consider the problem of determining whether two finite undirected weighted graphs are isomorphic, and finding an isomorphism relating them…

Optimization and Control · Mathematics 2016-11-03 Reza Takapoui , Stephen Boyd

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

Machine Learning · Computer Science 2024-04-02 Quang Truong , Peter Chin

We consider the problem of deterministically factoring a univariate polynomial over a finite field under the assumption of the Extended Riemann Hypothesis (ERH). This work builds upon the line of approach first explored by Gao in $2001$.…

Discrete Mathematics · Computer Science 2015-12-16 Aurko Roy

The graph isomorphism problem asks whether two graphs are identical up to vertex relabeling. While the exact problem admits quasi-polynomial-time classical algorithms, many applications in molecular comparison, noisy network analysis, and…

Quantum Physics · Physics 2026-03-31 Prateek P. Kulkarni

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

Invertible map equivalences are approximations of graph isomorphism that refine the well-known Weisfeiler-Leman method. They are parametrised by a number k and a set Q of primes. The intuition is that two graphs G and H which are equivalent…

Logic in Computer Science · Computer Science 2019-08-28 Anuj Dawar , Erich Grädel , Wied Pakusa

We give upper and lower bounds on the power of subsystems of the Ideal Proof System (IPS), the algebraic proof system recently proposed by Grochow and Pitassi, where the circuits comprising the proof come from various restricted algebraic…

Computational Complexity · Computer Science 2016-06-17 Michael A. Forbes , Amir Shpilka , Iddo Tzameret , Avi Wigderson

The color refinement algorithm is mainly known as a heuristic method for graph isomorphism testing. It has surprising but natural characterizations in terms of, for example, homomorphism counts from trees and solutions to a system of linear…

Combinatorics · Mathematics 2023-12-20 Jan Böker

In this paper, we give algorithms for determining the existence of isomorphism between two finite-dimensional Lie algebras and compute such an isomorphism in the affirrmative case. We also provide algorithms for determining algebraic…

Rings and Algebras · Mathematics 2021-02-23 Tuan A. Nguyen , Vu A. Le , Thieu N. Vo

Consider property testing on bounded degree graphs and let $\varepsilon>0$ denote the proximity parameter. A remarkable theorem of Newman-Sohler (SICOMP 2013) asserts that all properties of planar graphs (more generally hyperfinite) are…

Data Structures and Algorithms · Computer Science 2024-05-10 Sabyasachi Basu , Akash Kumar , C. Seshadhri

It is well-known that the graph isomorphism problem can be posed as an equivalent problem of determining whether an auxiliary graph structure contains a clique of specific order. However, the algorithms that have been developed so far for…

Data Structures and Algorithms · Computer Science 2019-10-29 Giannis Nikolentzos , Michalis Vazirgiannis

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a fruitful approach to the Graph Isomorphism problem. 2-WL corresponds to the original algorithm suggested by Weisfeiler and Leman over 50 years ago. 1-WL is the classical color…

Discrete Mathematics · Computer Science 2019-04-10 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

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

A method for improving the efficiency of graph isomorphism testing is presented. The method uses the structure of the graph colored by vertex hash codes as a means of partitioning vertices into equivalence classes, which in turn reduces the…

Data Structures and Algorithms · Computer Science 2016-06-02 Thomas E. Portegys

Gr{\"o}bner bases is one the most powerful tools in algorithmic non-linear algebra. Their computation is an intrinsically hard problem with a complexity at least single exponential in the number of variables. However, in most of the cases,…

Symbolic Computation · Computer Science 2019-02-04 Matías Bender , Jean-Charles Faugère , Elias Tsigaridas

We study free scalar field theory on a graph, which gives rise to a modified version of discrete Green's function on a graph studied in \cite{CY}. We show that this gives rise to a graph invariant, which is closely related to the 2-dim…

Combinatorics · Mathematics 2015-06-18 An Huang , Shing-Tung Yau , Mei-Heng Yueh

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka