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Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph neural networks (GNNs) can extract features by learning both the representation of each objects (i.e., graph nodes) and the relationship across different objects (i.e., the edges that connect nodes), achieving state-of-the-art…

Hardware Architecture · Computer Science 2022-05-11 Yunjae Lee , Jinha Chung , Minsoo Rhu

Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…

Materials Science · Physics 2021-07-16 Minyi Dai , Mehmet F. Demirel , Yingyu Liang , Jia-Mian Hu

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static…

Machine Learning · Computer Science 2022-06-06 Yanping Zheng , Hanzhi Wang , Zhewei Wei , Jiajun Liu , Sibo Wang

Graph neural networks (GNNs) are a type of neural model that tackle graphical tasks in an end-to-end manner. Recently, GNNs have been receiving increased attention in machine learning and data mining communities because of the higher…

Machine Learning · Computer Science 2023-02-07 Ayato Toyokuni , Makoto Yamada

Graph structured data has wide applicability in various domains such as physics, chemistry, biology, computer vision, and social networks, to name a few. Recently, graph neural networks (GNN) were shown to be successful in effectively…

Machine Learning · Computer Science 2020-09-29 Qiang Huang , Makoto Yamada , Yuan Tian , Dinesh Singh , Dawei Yin , Yi Chang

We investigate machine learning approaches to approximating the \emph{domination number} of graphs, the minimum size of a dominating set. Exact computation of this parameter is NP-hard, restricting classical methods to small instances. We…

Machine Learning · Computer Science 2025-11-25 Randy Davila , Beyzanur Ispir

Graph Neural Networks (GNNs) have shown advantages in various graph-based applications. Most existing GNNs assume strong homophily of graph structure and apply permutation-invariant local aggregation of neighbors to learn a representation…

Machine Learning · Computer Science 2022-01-04 Tianmeng Yang , Yujing Wang , Zhihan Yue , Yaming Yang , Yunhai Tong , Jing Bai

In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new…

Machine Learning · Statistics 2021-10-05 Anahita Iravanizad , Edgar Ivan Sanchez Medina , Martin Stoll

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

Machine Learning · Computer Science 2020-09-04 Alok Tripathy , Katherine Yelick , Aydin Buluc

In the modern age of social media and networks, graph representations of real-world phenomena have become an incredibly useful source to mine insights. Often, we are interested in understanding how entities in a graph are interconnected.…

Machine Learning · Computer Science 2021-12-16 Aneesh Komanduri , Justin Zhan

Flexible duplex networks allow users to dynamically employ uplink and downlink channels without static time scheduling, thereby utilizing the network resources efficiently. This work investigates the sum-rate maximization of flexible duplex…

Networking and Internet Architecture · Computer Science 2023-03-16 Tharaka Perera , Saman Atapattu , Yuting Fang , Prathapasinghe Dharmawansa , Jamie Evans

Autonomous mobility-on-demand (AMoD) systems represent a rapidly developing mode of transportation wherein travel requests are dynamically handled by a coordinated fleet of robotic, self-driving vehicles. Given a graph representation of the…

Systems and Control · Electrical Eng. & Systems 2021-08-17 Daniele Gammelli , Kaidi Yang , James Harrison , Filipe Rodrigues , Francisco C. Pereira , Marco Pavone

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

We propose a graph semi-supervised learning framework for classification tasks on data manifolds. Motivated by the manifold hypothesis, we model data as points sampled from a low-dimensional manifold $\mathcal{M} \subset \mathbb{R}^F$. The…

Machine Learning · Computer Science 2025-11-03 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

This paper introduces a novel graph-based filter method for automatic feature selection (abbreviated as GB-AFS) for multi-class classification tasks. The method determines the minimum combination of features required to sustain prediction…

Machine Learning · Computer Science 2023-09-06 David Levin , Gonen Singer

Machine learning over graphs have been emerging as powerful learning tools for graph data. However, it is challenging for industrial communities to leverage the techniques, such as graph neural networks (GNNs), and solve real-world problems…

Social and Information Networks · Computer Science 2020-03-17 Dalong Zhang , Xin Huang , Ziqi Liu , Zhiyang Hu , Xianzheng Song , Zhibang Ge , Zhiqiang Zhang , Lin Wang , Jun Zhou , Yang Shuang , Yuan Qi

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 convolutional neural networks (GCNNs) have been attracting increasing research attention due to its great potential in inference over graph structures. However, insufficient effort has been devoted to the aggregation methods between…

Machine Learning · Computer Science 2019-05-15 Penghui Sun , Jingwei Qu , Xiaoqing Lyu , Haibin Ling , Zhi Tang

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

Machine Learning · Computer Science 2023-08-10 Robin Ruff , Patrick Reiser , Jan Stühmer , Pascal Friederich