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Graph neural networks (GNNs) are a class of powerful machine learning tools that model node relations for making predictions of nodes or links. GNN developers rely on quantitative metrics of the predictions to evaluate a GNN, but similar to…

Machine Learning · Computer Science 2025-07-08 Zipeng Liu , Yang Wang , Jürgen Bernard , Tamara Munzner

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the…

Machine Learning · Computer Science 2023-10-27 Xingyue Huang , Miguel Romero Orth , İsmail İlkan Ceylan , Pablo Barceló

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Machine Learning · Computer Science 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

Graph Neural Networks (GNNs) are well-suited for learning on homophilous graphs, i.e., graphs in which edges tend to connect nodes of the same type. Yet, achievement of consistent GNN performance on heterophilous graphs remains an open…

Machine Learning · Computer Science 2023-08-30 Andrea Cavallo , Claas Grohnfeldt , Michele Russo , Giulio Lovisotto , Luca Vassio

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

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

Machine Learning · Computer Science 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this…

Machine Learning · Computer Science 2021-03-09 Gabriele Corso , Luca Cavalleri , Dominique Beaini , Pietro Liò , Petar Veličković

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

We propose and study Hierarchical Ego Graph Neural Networks (HEGNNs), an expressive extension of graph neural networks (GNNs) with hierarchical node individualization, inspired by the Individualization-Refinement paradigm for isomorphism…

Machine Learning · Computer Science 2026-01-26 Arie Soeteman , Balder ten Cate

Graphs are essential representations of many real-world data such as social networks. Recent years have witnessed the increasing efforts made to extend the neural network models to graph-structured data. These methods, which are usually…

Machine Learning · Computer Science 2018-11-07 Yao Ma , Ziyi Guo , Zhaochun Ren , Eric Zhao , Jiliang Tang , Dawei Yin

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

Machine Learning · Computer Science 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone

We consider a Graph Neural Network (GNN) non-Markovian modeling framework to identify coarse-grained dynamical systems on graphs. Our main idea is to systematically determine the GNN architecture by inspecting how the leading term of the…

Numerical Analysis · Mathematics 2025-04-08 Yin Yu , John Harlim , Daning Huang , Yan Li

We study and compare different Graph Neural Network extensions that increase the expressive power of GNNs beyond the Weisfeiler-Leman test. We focus on (i) GNNs based on higher order WL methods, (ii) GNNs that preprocess small substructures…

Machine Learning · Computer Science 2022-02-01 Pál András Papp , Roger Wattenhofer

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1).…

Graph neural networks (GNNs) have evolved into one of the most popular deep learning architectures. However, GNNs suffer from over-smoothing node information and, therefore, struggle to solve tasks where global graph properties are…

Machine Learning · Computer Science 2023-08-31 Bernhard Schäfl , Lukas Gruber , Johannes Brandstetter , Sepp Hochreiter

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Graph Neural Networks (GNNs) are recently proposed neural network structures for the processing of graph-structured data. Due to their employed neighbor aggregation strategy, existing GNNs focus on capturing node-level information and…

Machine Learning · Computer Science 2022-01-05 Xing Ai , Chengyu Sun , Zhihong Zhang , Edwin R Hancock

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

Machine Learning · Computer Science 2021-06-08 Waïss Azizian , Marc Lelarge

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

Machine Learning · Computer Science 2024-06-24 A. Martina Neuman , Jason J. Bramburger
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