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Graph neural networks (GNNs) are emerging for machine learning research on graph-structured data. GNNs achieve state-of-the-art performance on many tasks, but they face scalability challenges when it comes to real-world applications that…

Machine Learning · Computer Science 2026-04-02 Shichang Zhang , Atefeh Sohrabizadeh , Cheng Wan , Zijie Huang , Ziniu Hu , Yewen Wang , Yingyan , Lin , Jason Cong , Yizhou Sun

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements…

Machine Learning · Computer Science 2022-08-31 Weimin Zhu , Yi Zhang , DuanCheng Zhao , Jianrong Xu , Ling Wang

We propose GraphMineSuite (GMS): the first benchmarking suite for graph mining that facilitates evaluating and constructing high-performance graph mining algorithms. First, GMS comes with a benchmark specification based on extensive…

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Training deep graph neural networks (GNNs) is notoriously hard. Besides the standard plights in training deep architectures such as vanishing gradients and overfitting, it also uniquely suffers from over-smoothing, information squashing,…

Machine Learning · Computer Science 2022-05-10 Tianlong Chen , Kaixiong Zhou , Keyu Duan , Wenqing Zheng , Peihao Wang , Xia Hu , Zhangyang Wang

Graphs are a ubiquitous data structure to model processes and relations in a wide range of domains. Examples include control-flow graphs in programs and semantic scene graphs in images. Identifying subgraph patterns in graphs is an…

Machine Learning · Computer Science 2022-02-22 Huan Song , Zeng Dai , Panpan Xu , Liu Ren

In representation learning on the graph-structured data, under heterophily (or low homophily), many popular GNNs may fail to capture long-range dependencies, which leads to their performance degradation. To solve the above-mentioned issue,…

Machine Learning · Computer Science 2021-06-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their…

Machine Learning · Computer Science 2022-11-08 Xin Huang , Jongryool Kim , Bradley Rees , Chul-Ho Lee

The recent rapid growth in mobile data traffic entails a pressing demand for improving the throughput of the underlying wireless communication networks. Network node deployment has been considered as an effective approach for throughput…

Networking and Internet Architecture · Computer Science 2022-09-16 Yifei Yang , Dongmian Zou , Xiaofan He

Accurate and scalable surrogate models for AC power flow are essential for real-time grid monitoring, contingency analysis, and decision support in increasingly dynamic and inverter-dominated power systems. However, most existing surrogates…

Systems and Control · Electrical Eng. & Systems 2025-07-04 Shrenik Jadhav , Birva Sevak , Srijita Das , Wencong Su , Van-Hai Bui

The integration of multi-omic data is pivotal for understanding complex diseases, but its high dimensionality and noise present significant challenges. Graph Neural Networks (GNNs) offer a robust framework for analyzing large-scale…

Quantitative Methods · Quantitative Biology 2024-12-23 Heming Zhang , Di Huang , Yixin Chen , Fuhai Li

Graph Neural Networks (GNNs) have gained significant attention in recent years due to their ability to learn representations of graph-structured data. Two common methods for training GNNs are mini-batch training and full-graph training.…

Machine Learning · Computer Science 2024-12-24 Saurabh Bajaj , Hojae Son , Juelin Liu , Hui Guan , Marco Serafini

This paper studies four Graph Neural Network architectures (GNNs) for a graph classification task on a synthetic dataset created using classic generative models of Network Science. Since the synthetic networks do not contain (node or edge)…

Social and Information Networks · Computer Science 2024-01-12 Walid Guettala , László Gulyás

Similar item recommendation is a critical task in the e-Commerce industry, which helps customers explore similar and relevant alternatives based on their interested products. Despite the traditional machine learning models, Graph Neural…

Information Retrieval · Computer Science 2023-10-30 Ramin Giahi , Reza Yousefi Maragheh , Nima Farrokhsiar , Jianpeng Xu , Jason Cho , Evren Korpeoglu , Sushant Kumar , Kannan Achan

Recent advances in deep learning have accelerated its use in various applications, such as cellular image analysis and molecular discovery. In molecular discovery, a generative adversarial network (GAN), which comprises a discriminator to…

Machine Learning · Computer Science 2023-04-13 Daniel Manu , Jingjing Yao , Wuji Liu , Xiang Sun

Graph neural network (GNN) has shown convincing performance in learning powerful node representations that preserve both node attributes and graph structural information. However, many GNNs encounter problems in effectiveness and efficiency…

Machine Learning · Computer Science 2022-01-03 Jiyang Bai , Yuxiang Ren , Jiawei Zhang

Graph Neural Networks (GNNs) have become increasingly popular and achieved impressive results in many graph-based applications. However, extensive manual work and domain knowledge are required to design effective architectures, and the…

Machine Learning · Computer Science 2021-11-29 Jin Xu , Mingjian Chen , Jianqiang Huang , Xingyuan Tang , Ke Hu , Jian Li , Jia Cheng , Jun Lei

Graph neural networks (GNNs) have recently emerged as a promising learning paradigm in learning graph-structured data and have demonstrated wide success across various domains such as recommendation systems, social networks, and electronic…

Machine Learning · Computer Science 2023-04-25 Ruixuan Wang , Fred Lin , Daniel Moore , Sriram Sankar , Xun Jiao

Objective: In modern healthcare, accurately predicting diseases is a crucial matter. This study introduces a novel approach using graph neural networks (GNNs) and a Graph Transformer (GT) to predict the incidence of heart failure (HF) on a…

Machine Learning · Computer Science 2025-06-23 Heloisa Oss Boll , Ali Amirahmadi , Amira Soliman , Stefan Byttner , Mariana Recamonde-Mendoza