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Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

机器学习 · 计算机科学 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

Graph neural networks (GNNs) are effective machine learning models for various graph learning problems. Despite their empirical successes, the theoretical limitations of GNNs have been revealed recently. Consequently, many GNN models have…

机器学习 · 计算机科学 2020-10-19 Ryoma Sato

Graph neural networks (GNNs) have been extensively studied for prediction tasks on graphs. As pointed out by recent studies, most GNNs assume local homophily, i.e., strong similarities in local neighborhoods. This assumption however limits…

机器学习 · 计算机科学 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

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…

机器学习 · 计算机科学 2021-06-08 Waïss Azizian , Marc Lelarge

The expressive limitations of message-passing Graph Neural Networks (GNNs) have motivated a wide range of more powerful graph learning architectures. We advocate Deep Homomorphism Networks (DHNs) as a model particularly well-suited for…

数据库 · 计算机科学 2026-05-25 Moritz Schönherr , Balder ten Cate , Maurice Funk , Benny Kimelfeld , Carsten Lutz , Arie Soeteman

The ability of graph neural networks (GNNs) to count certain graph substructures, especially cycles, is important for the success of GNNs on a wide range of tasks. It has been recently used as a popular metric for evaluating the expressive…

机器学习 · 计算机科学 2024-01-12 Junru Zhou , Jiarui Feng , Xiyuan Wang , Muhan Zhang

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

机器学习 · 计算机科学 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are…

机器学习 · 计算机科学 2022-10-17 Fabrizio Frasca , Beatrice Bevilacqua , Michael M. Bronstein , Haggai Maron

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…

机器学习 · 计算机科学 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Advancing trustworthy AI requires principled software engineering approaches to model evaluation. Graph Neural Networks (GNNs) have achieved remarkable success in processing graph-structured data, however, their expressiveness in capturing…

机器学习 · 计算机科学 2026-03-03 Sicong Che , Jiayi Yang , Sarfraz Khurshid , Wenxi Wang

Learning representations of sets of nodes in a graph is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in graph…

机器学习 · 计算机科学 2020-10-30 Pan Li , Yanbang Wang , Hongwei Wang , Jure Leskovec

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing…

机器学习 · 计算机科学 2022-12-29 Seiji Maekawa , Koki Noda , Yuya Sasaki , Makoto Onizuka

Uniform expressivity guarantees that a Graph Neural Network (GNN) can express a query without the parameters depending on the size of the input graphs. This property is desirable in applications in order to have number of trainable…

机器学习 · 计算机科学 2024-12-06 Sammy Khalife , Josué Tonelli-Cueto

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a…

机器学习 · 计算机科学 2023-05-22 Eran Rosenbluth , Jan Toenshoff , Martin Grohe

We investigate the representation power of graph neural networks in the semi-supervised node classification task under heterophily or low homophily, i.e., in networks where connected nodes may have different class labels and dissimilar…

机器学习 · 计算机科学 2020-10-26 Jiong Zhu , Yujun Yan , Lingxiao Zhao , Mark Heimann , Leman Akoglu , Danai Koutra

The expressivity of Graph Neural Networks (GNNs) has been studied broadly in recent years to reveal the design principles for more powerful GNNs. Graph canonization is known as a typical approach to distinguish non-isomorphic graphs, yet…

Standard message-passing graph neural networks (GNNs) often struggle on graphs with low homophily, yet homophily alone does not explain this behavior, as graphs with similar homophily levels can exhibit markedly different performance and…

机器学习 · 计算机科学 2026-01-28 Shalima Binta Manir , Tim Oates

Graph neural networks (GNNs) have become a workhorse approach for learning from data defined over irregular domains, typically by implicitly assuming that the data structure is represented by a homophilic graph. However, recent works have…

机器学习 · 计算机科学 2024-09-16 Samuel Rey , Madeline Navarro , Victor M. Tenorio , Santiago Segarra , Antonio G. Marques

Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections (\mhc)~\citep{xie2025mhc}, recently proposed for…

机器学习 · 计算机科学 2026-01-07 Subhankar Mishra

We precisely characterize the expressivity of computable Recurrent Graph Neural Networks (recurrent GNNs). We prove that recurrent GNNs with finite-precision parameters, sum aggregation, and ReLU activation, can compute any graph algorithm…

机器学习 · 计算机科学 2026-03-17 Eran Rosenbluth , Martin Grohe