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Graph Neural Networks (GNNs) are the subject of intense focus by the machine learning community for problems involving relational reasoning. GNNs can be broadly divided into spatial and spectral approaches. Spatial approaches use a form of…

Machine Learning · Statistics 2021-01-05 Kimberly Stachenfeld , Jonathan Godwin , Peter Battaglia

Graph neural networks (GNNs) are known to be vulnerable to oversmoothing due to their implicit homophily assumption. We mitigate this problem with a novel scheme that regulates the aggregation of messages, modulating the type and extent of…

Machine Learning · Computer Science 2025-12-03 Haishan Wang , Arno Solin , Vikas Garg

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Message-passing Graph Neural Networks (GNNs), which collect information from adjacent nodes achieve dismal performance on heterophilic graphs. Various schemes have been proposed to solve this problem, and propagating signed information on…

Machine Learning · Computer Science 2024-10-01 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

Machine Learning · Computer Science 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature…

Machine Learning · Computer Science 2021-12-02 Kai Guo , Kaixiong Zhou , Xia Hu , Yu Li , Yi Chang , Xin Wang

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Message passing has evolved as an effective tool for designing Graph Neural Networks (GNNs). However, most existing methods for message passing simply sum or average all the neighboring features to update node representations. They are…

Machine Learning · Computer Science 2022-06-17 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

Modelling long-range dependencies is critical for scene understanding tasks in computer vision. Although CNNs have excelled in many vision tasks, they are still limited in capturing long-range structured relationships as they typically…

Computer Vision and Pattern Recognition · Computer Science 2022-09-16 Li Zhang , Dan Xu , Anurag Arnab , Philip H. S. Torr

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Machine Learning · Computer Science 2025-09-03 Yassine Abbahaddou , Fragkiskos D. Malliaros , Johannes F. Lutzeyer , Michalis Vazirgiannis

Graph neural networks (GNNs) leverage message passing mechanisms to learn the topological features of graph data. Traditional GNNs learns node features in a spatial domain unrelated to the topology, which can hardly ensure topological…

Machine Learning · Computer Science 2025-05-30 Juwei Yue , Haikuo Li , Jiawei Sheng , Xiaodong Li , Taoyu Su , Tingwen Liu , Li Guo

Heterogeneous graphs are ubiquitous to model complex data. There are urgent needs on powerful heterogeneous graph neural networks to effectively support important applications. We identify a potential semantic mixing issue in existing…

Machine Learning · Computer Science 2024-05-06 Ziang Zhou , Jieming Shi , Renchi Yang , Yuanhang Zou , Qing Li

Message passing-based graph neural networks (GNNs) have achieved great success in many real-world applications. For a sampled mini-batch of target nodes, the message passing process is divided into two parts: message passing between nodes…

Machine Learning · Computer Science 2025-02-28 Zhihao Shi , Jie Wang , Zhiwei Zhuang , Xize Liang , Bin Li , Feng Wu

Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update…

Machine Learning · Statistics 2018-06-11 Peter Bjørn Jørgensen , Karsten Wedel Jacobsen , Mikkel N. Schmidt

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification…

Machine Learning · Computer Science 2023-01-30 Xiao Liu , Lijun Zhang , Hui Guan

Graph Neural Networks (GNNs) have seen significant advances in recent years, yet their application to multigraphs, where parallel edges exist between the same pair of nodes, remains under-explored. Standard GNNs, designed for simple graphs,…

Machine Learning · Computer Science 2024-12-11 H. Çağrı Bilgi , Lydia Y. Chen , Kubilay Atasu

Graph Neural Networks (GNNs) are key tools for graph representation learning, demonstrating strong results across diverse prediction tasks. In this paper, we present Convexified Message-Passing Graph Neural Networks (CGNNs), a novel and…

Machine Learning · Computer Science 2026-01-27 Saar Cohen , Noa Agmon , Uri Shaham

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

Graph neural networks (GNNs) have demonstrated significant promise in modelling relational data and have been widely applied in various fields of interest. The key mechanism behind GNNs is the so-called message passing where information is…

Machine Learning · Computer Science 2023-10-31 Andi Han , Dai Shi , Lequan Lin , Junbin Gao