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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…

机器学习 · 计算机科学 2023-06-12 Gaspard Michel , Giannis Nikolentzos , Johannes Lutzeyer , Michalis Vazirgiannis

Line graph transformation has been widely studied in graph theory, where each node in a line graph corresponds to an edge in the original graph. This has inspired a series of graph neural networks (GNNs) applied to transformed line graphs,…

机器学习 · 计算机科学 2025-03-21 Fan Yang , Xingyue Huang

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

机器学习 · 计算机科学 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

Learning representations for graphs plays a critical role in a wide spectrum of downstream applications. In this paper, we summarize the limitations of the prior works in three folds: representation space, modeling dynamics and modeling…

机器学习 · 计算机科学 2021-04-07 Li Sun , Zhongbao Zhang , Jiawei Zhang , Feiyang Wang , Hao Peng , Sen Su , Philip S. Yu

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

机器学习 · 计算机科学 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

机器学习 · 计算机科学 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

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…

机器学习 · 计算机科学 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

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.…

机器学习 · 计算机科学 2023-03-08 Mohammad Sadegh Akhondzadeh , Vijay Lingam , Aleksandar Bojchevski

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…

机器学习 · 计算机科学 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

机器学习 · 计算机科学 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Many tasks that rely on representations of nodes in graphs would benefit if those representations were faithful to distances between nodes in the graph. Geometric techniques to extract such representations have poor scaling over large graph…

机器学习 · 计算机科学 2020-06-18 Matthew Walker , Bo Yan , Yiou Xiao , Yafei Wang , Ayan Acharya

Graph Neural Networks (GNNs) excel in handling graph-structured data but often underperform in link prediction tasks compared to classical methods, mainly due to the limitations of the commonly used message-passing principle. Notably, their…

机器学习 · 计算机科学 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

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…

机器学习 · 计算机科学 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

Graph Neural Networks (GNNs) are widely used for graph representation learning in many application domains. The expressiveness of vanilla GNNs is upper-bounded by 1-dimensional Weisfeiler-Leman (1-WL) test as they operate on rooted subtrees…

机器学习 · 计算机科学 2024-01-10 Jiaxing Xu , Aihu Zhang , Qingtian Bian , Vijay Prakash Dwivedi , Yiping Ke

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.…

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

机器学习 · 计算机科学 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

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…

机器学习 · 计算机科学 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

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…

社会与信息网络 · 计算机科学 2023-01-02 Li Liu , Penggang Chen , Xin Li , William K. Cheung , Youmin Zhang , Qun Liu , Guoyin Wang

Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to…

机器学习 · 计算机科学 2025-05-20 Daniel Herbst , Stefanie Jegelka

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…

机器学习 · 计算机科学 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li