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Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the…

Machine Learning · Computer Science 2022-02-01 Cristian Bodnar , Fabrizio Frasca , Nina Otter , Yu Guang Wang , Pietro Liò , Guido Montúfar , Michael Bronstein

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…

Machine Learning · Computer Science 2022-02-22 Markus Zopf

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…

The study of Graph Neural Networks has received considerable interest in the past few years. By extending deep learning to graph-structured data, GNNs can solve a diverse set of tasks in fields including social science, chemistry, and…

Machine Learning · Computer Science 2024-03-12 Ashwin Nalwade , Kelly Marshall , Axel Eladi , Umang Sharma

Graph neural network (GNN) is a popular tool to learn the lower-dimensional representation of a graph. It facilitates the applicability of machine learning tasks on graphs by incorporating domain-specific features. There are various options…

Machine Learning · Computer Science 2020-08-21 Md. Khaledur Rahman

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of…

Information Retrieval · Computer Science 2023-09-19 Xuheng Cai , Lianghao Xia , Xubin Ren , Chao Huang

Graph Neural Networks (GNNs) have emerged as a powerful category of learning architecture for handling graph-structured data. However, existing GNNs typically ignore crucial structural characteristics in node-induced subgraphs, which thus…

Machine Learning · Computer Science 2023-06-13 Kaixuan Chen , Shunyu Liu , Tongtian Zhu , Tongya Zheng , Haofei Zhang , Zunlei Feng , Jingwen Ye , Mingli Song

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Machine Learning · Computer Science 2021-01-07 Kenta Oono , Taiji Suzuki

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

Identifying similar network structures is key to capture graph isomorphisms and learn representations that exploit structural information encoded in graph data. This work shows that ego-networks can produce a structural encoding scheme for…

Machine Learning · Computer Science 2022-12-09 Nurudin Alvarez-Gonzalez , Andreas Kaltenbrunner , Vicenç Gómez

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał

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…

Machine Learning · Computer Science 2025-02-18 Niloofar Azizi , Nils Kriege , Horst Bischof

Although recent advances in higher-order Graph Neural Networks (GNNs) improve the theoretical expressiveness and molecular property predictive performance, they often fall short of the empirical performance of models that explicitly use…

Machine Learning · Computer Science 2024-07-26 Tom Wollschläger , Niklas Kemper , Leon Hetzel , Johanna Sommer , Stephan Günnemann

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

Machine Learning · Computer Science 2022-01-11 Martin Grohe

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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

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…

Machine Learning · Computer Science 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

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…

Machine Learning · Computer Science 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

Hypergraph, an expressive structure with flexibility to model the higher-order correlations among entities, has recently attracted increasing attention from various research domains. Despite the success of Graph Neural Networks (GNNs) for…

Machine Learning · Computer Science 2021-05-04 Jing Huang , Jie Yang