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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

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

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

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…

Computational Complexity · Computer Science 2020-03-18 Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection…

Machine Learning · Computer Science 2023-03-01 Giannis Nikolentzos , Michail Chatzianastasis , Michalis Vazirgiannis

Subgraph counting is a fundamental task for analyzing structural patterns in graph-structured data, with important applications in domains such as computational biology and social network analysis, where recurring motifs reveal functional…

Machine Learning · Computer Science 2025-12-02 Shubhajit Roy , Shrutimoy Das , Binita Maity , Anant Kumar , Anirban Dasgupta

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

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…

Machine Learning · Computer Science 2021-06-15 Muhammet Balcilar , Pierre Héroux , Benoit Gaüzère , Pascal Vasseur , Sébastien Adam , Paul Honeine

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

Graph Neural Networks (GNNs) are a large class of relational models for graph processing. Recent theoretical studies on the expressive power of GNNs have focused on two issues. On the one hand, it has been proven that GNNs are as powerful…

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

As a classical approach on graph learning, the propagation-aggregation methodology is widely exploited by many of Graph Neural Networks (GNNs), wherein the representation of a node is updated by aggregating representations from itself and…

Machine Learning · Computer Science 2025-12-08 Xiao Yue , Bo Liu , Feng Zhang , Guangzhi Qu

Aligning users across networks using graph representation learning has been found effective where the alignment is accomplished in a low-dimensional embedding space. Yet, achieving highly precise alignment is still challenging, especially…

Social and Information Networks · Computer Science 2023-01-02 Li Liu , Penggang Chen , Xin Li , William K. Cheung , Youmin Zhang , Qun Liu , Guoyin Wang

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…

Machine Learning · Computer Science 2023-05-31 Christopher Morris , Floris Geerts , Jan Tönshoff , Martin Grohe

Message passing neural networks (MPNNs) have emerged as the most popular framework of graph neural networks (GNNs) in recent years. However, their expressive power is limited by the 1-dimensional Weisfeiler-Lehman (1-WL) test. Some works…

Machine Learning · Computer Science 2024-01-17 Jiarui Feng , Lecheng Kong , Hao Liu , Dacheng Tao , Fuhai Li , Muhan Zhang , Yixin Chen

Numerous recent works have analyzed the expressive power of message-passing graph neural networks (MPNNs), primarily utilizing combinatorial techniques such as the $1$-dimensional Weisfeiler-Leman test ($1$-WL) for the graph isomorphism…

Machine Learning · Computer Science 2023-11-03 Jan Böker , Ron Levie , Ningyuan Huang , Soledad Villar , Christopher Morris

Graph neural networks (GNNs) have emerged recently as a powerful architecture for learning node and graph representations. Standard GNNs have the same expressive power as the Weisfeiler-Leman test of graph isomorphism in terms of…

Machine Learning · Statistics 2020-08-11 Giannis Nikolentzos , George Dasoulas , Michalis Vazirgiannis

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are…

Machine Learning · Computer Science 2023-06-12 Gaspard Michel , Giannis Nikolentzos , Johannes Lutzeyer , Michalis Vazirgiannis

Graph isomorphism testing is usually approached via the comparison of graph invariants. Two popular alternatives that offer a good trade-off between expressive power and computational efficiency are combinatorial (i.e., obtained via the…

Machine Learning · Computer Science 2022-03-03 Or Feldman , Amit Boyarski , Shai Feldman , Dani Kogan , Avi Mendelson , Chaim Baskin