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Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to…

Machine Learning · Computer Science 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang

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…

Machine Learning · Computer Science 2021-10-04 Sean Li , Dongwoo Kim , Qing Wang

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph-structured data, and are now considered state-of-the-art tools for solving a…

Machine Learning · Computer Science 2022-08-05 Sohir Maskey , Ron Levie , Yunseok Lee , Gitta Kutyniok

Multi-label classification (MLC) is the task of assigning a set of target labels for a given sample. Modeling the combinatorial label interactions in MLC has been a long-haul challenge. We propose Label Message Passing (LaMP) Neural…

Machine Learning · Computer Science 2019-04-18 Jack Lanchantin , Arshdeep Sekhon , Yanjun Qi

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Graph Neural Networks (GNNs) have achieved significant success in addressing node classification tasks. However, the effectiveness of traditional GNNs degrades on heterophilic graphs, where connected nodes often belong to different labels…

Machine Learning · Computer Science 2025-11-11 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Graph Domain Adaptation (GDA) transfers knowledge from labeled source graphs to unlabeled target graphs, addressing the challenge of label scarcity. In this paper, we highlight the significance of graph homophily, a pivotal factor for graph…

Social and Information Networks · Computer Science 2025-06-03 Ruiyi Fang , Bingheng Li , Jingyu Zhao , Ruizhi Pu , Qiuhao Zeng , Gezheng Xu , Charles Ling , Boyu Wang

Researchers are solving the challenges of spatial-temporal prediction by combining Federated Learning (FL) and graph models with respect to the constrain of privacy and security. In order to make better use of the power of graph model, some…

Machine Learning · Computer Science 2023-09-08 Yuxing Tian , Zheng Liu , Yanwen Qu , Song Li , Jiachi Luo

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Machine Learning · Computer Science 2019-03-05 Azade Nazi , Will Hang , Anna Goldie , Sujith Ravi , Azalia Mirhoseini

We present graph partition neural networks (GPNN), an extension of graph neural networks (GNNs) able to handle extremely large graphs. GPNNs alternate between locally propagating information between nodes in small subgraphs and globally…

Machine Learning · Computer Science 2018-03-19 Renjie Liao , Marc Brockschmidt , Daniel Tarlow , Alexander L. Gaunt , Raquel Urtasun , Richard Zemel

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Machine Learning · Computer Science 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Conventional approaches to learning on graphs involve message passing along existing (i.e., positive) edges to update node features. However, these approaches often disregard the potentially valuable information contained in the absence…

Machine Learning · Computer Science 2026-05-19 Peter Pao-Huang , Charilaos I. Kanatsoulis , Michael Bereket , Jure Leskovec

Graph Neural Networks (GNNs) have become a popular approach for various applications, ranging from social network analysis to modeling chemical properties of molecules. While GNNs often show remarkable performance on public datasets, they…

Machine Learning · Computer Science 2022-02-03 Krzysztof Sadowski , Michał Szarmach , Eddie Mattia

Message passing neural networks (MPNNs) operate on graphs by exchanging information between neigbouring nodes. MPNNs have been successfully applied to various node-, edge-, and graph-level tasks in areas like molecular science, computer…

Machine Learning · Computer Science 2025-11-05 Lisi Qarkaxhija , Anatol E. Wegner , Ingo Scholtes

We introduce a new type of graphical model that we call a "memory factor network" (MFN). We show how to use MFNs to model the structure inherent in many types of data sets. We also introduce an associated message-passing style algorithm…

Artificial Intelligence · Computer Science 2016-01-19 Patrick Eschenfeldt , Dan Schmidt , Stark Draper , Jonathan Yedidia

Message-passing graph neural networks (MPGNNs) dominate modern graph learning. Typical efforts enhance MPGNN's expressive power by enriching the adjacency-based aggregation. In contrast, we introduce an efficient aggregation over walk…

Machine Learning · Computer Science 2025-09-29 Marek Černý

Graph Data Prompt (GDP), which introduces specific prompts in graph data for efficiently adapting pre-trained GNNs, has become a mainstream approach to graph fine-tuning learning problem. However, existing GDPs have been respectively…

Machine Learning · Computer Science 2026-04-14 Beibei Wang , Bo Jiang , Ziyan Zhang , Jin Tang

Graph neural networks (GNNs) achieve strong performance on relational data, but real-world graphs are often distributed across organizations that cannot share raw data due to privacy and policy constraints. Existing federated GNN methods…

Machine Learning · Computer Science 2026-05-27 Zhishuai Guo , Wenhan Wu , Chen Chen , Lei Zhang , Olivera Kotevska , Ravi K Madduri

In the semi-supervised setting where labeled data are largely limited, it remains to be a big challenge for message passing based graph neural networks (GNNs) to learn feature representations for the nodes with the same class label that is…

Machine Learning · Computer Science 2023-05-09 Acong Zhang , Ping Li , Guanrong Chen
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