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Graph neural network universal interatomic potentials (GNN-UIPs) have demonstrated remarkable generalization and transfer capabilities in material discovery and property prediction. These models can accelerate molecular dynamics (MD)…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-25 Yuanchang Zhou , Siyu Hu , Chen Wang , Lin-Wang Wang , Guangming Tan , Weile Jia

Temporal graph neural networks (TGNNs) outperform regular GNNs by incorporating time information into graph-based operations. However, TGNNs adopt specialized models (e.g., TGN, TGAT, and APAN ) and require tailored training frameworks…

Machine Learning · Computer Science 2024-09-19 Qiang Huang , Xiao Yan , Xin Wang , Susie Xi Rao , Zhichao Han , Fangcheng Fu , Wentao Zhang , Jiawei Jiang

Dynamic GNN inference has exhibited effectiveness in High Energy Physics (HEP) experiments at High Luminosity Large Hadron Collider (HL-LHC) due to strong capability to model complex particle interactions in collision events. Future HEP…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-24 Davendra Maharaj , Tu Pham , Peter Meiring , Kyungmin Park , Sena Durgut , Cong Hao , Matteo Cremonesi

The Graph Convolutional Network (GCN) model and its variants are powerful graph embedding tools for facilitating classification and clustering on graphs. However, a major challenge is to reduce the complexity of layered GCNs and make them…

Machine Learning · Computer Science 2020-08-06 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph Neural Network (GNN) is a variant of Deep Neural Networks (DNNs) operating on graphs. However, GNNs are more complex compared to traditional DNNs as they simultaneously exhibit features of both DNN and graph applications. As a result,…

Hardware Architecture · Computer Science 2021-02-17 Aqeeb Iqbal Arka , Biresh Kumar Joardar , Janardhan Rao Doppa , Partha Pratim Pande , Krishnendu Chakrabarty

Recent years have witnessed the success of heterogeneous graph neural networks (HGNNs) in modeling heterogeneous information networks (HINs). In this paper, we focus on the benchmark task of HGNNs, i.e., node classification, and empirically…

Social and Information Networks · Computer Science 2023-04-04 Cheng Yang , Xumeng Gong , Chuan Shi , Philip S. Yu

Full-graph training of graph neural networks (GNNs) is widely used as it enables direct validation of algorithmic improvements by preserving complete neighborhood information. However, it typically requires multiple GPUs or servers,…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-13 Jaeyong Song , Seongyeon Park , Hongsun Jang , Jaewon Jung , Hunseong Lim , Junguk Hong , Jinho Lee

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Many Graph Neural Network (GNN) training systems have emerged recently to support efficient GNN training. Since GNNs embody complex data dependencies between training samples, the training of GNNs should address distinct challenges…

Machine Learning · Computer Science 2024-03-21 Hao Yuan , Yajiong Liu , Yanfeng Zhang , Xin Ai , Qiange Wang , Chaoyi Chen , Yu Gu , Ge Yu

Dynamic graph neural network (DGNN) is becoming increasingly popular because of its widespread use in capturing dynamic features in the real world. A variety of dynamic graph neural networks designed from algorithmic perspectives have…

Hardware Architecture · Computer Science 2023-04-17 Hanqiu Chen , Yahya Alhinai , Yihan Jiang , Eunjee Na , Cong Hao

Graph Neural Networks (GNNs) are widely used today in recommendation systems, fraud detection, and node/link classification tasks. Real world GNNs continue to scale in size and require a large memory footprint for storing graphs and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-31 Jeongmin Brian Park , Kun Wu , Vikram Sharma Mailthody , Zaid Quresh , Scott Mahlke , Wen-mei Hwu

Recently, distributed GNN training frameworks, such as DistDGL and PyG, have been developed to enable training GNN models on large graphs by leveraging multiple GPUs in a distributed manner. Despite these advances, their memory requirements…

Machine Learning · Computer Science 2025-12-09 Xin Huang , Weipeng Zhuo , Minh Phu Vuong , Shiju Li , Jongryool Kim , Bradley Rees , Chul-Ho Lee

Inspired by recent improvements in point cloud processing for autonomous navigation, we focus on using hierarchical graph neural networks for processing and feature learning over large-scale outdoor LiDAR point clouds. We observe that…

Computer Vision and Pattern Recognition · Computer Science 2023-01-18 Arulmolivarman Thieshanthan , Amashi Niwarthana , Pamuditha Somarathne , Tharindu Wickremasinghe , Ranga Rodrigo

Convolutional Neural Networks (CNNs) are fundamental to deep learning, driving applications across various domains. However, their growing complexity has significantly increased computational demands, necessitating efficient hardware…

Machine Learning · Computer Science 2025-05-21 Junye Jiang , Yaan Zhou , Yuanhao Gong , Haoxuan Yuan , Shuanglong Liu

Graph neural networks (GNNs) have achieved remarkable success in node classification. Building on this progress, heterogeneous graph neural networks (HGNNs) integrate relation types and node and edge semantics to leverage heterogeneous…

Machine Learning · Computer Science 2025-10-08 Xiao Yang , Xuejiao Zhao , Zhiqi Shen

The pre-training and fine-tuning methods have gained widespread attention in the field of heterogeneous graph neural networks due to their ability to leverage large amounts of unlabeled data during the pre-training phase, allowing the model…

Machine Learning · Computer Science 2025-07-11 Pengfei Jiao , Jialong Ni , Di Jin , Xuan Guo , Huan Liu , Hongjiang Chen , Yanxian Bi

Mixed-precision neural networks (MPNNs) that enable the use of just enough data width for a deep learning task promise significant advantages of both inference accuracy and computing overhead. FPGAs with fine-grained reconfiguration…

Hardware Architecture · Computer Science 2023-08-23 Erjing Luo , Haitong Huang , Cheng Liu , Guoyu Li , Bing Yang , Ying Wang , Huawei Li , Xiaowei Li

Convolutional networks (ConvNets) have become a popular approach to computer vision. It is important to accelerate ConvNet training, which is computationally costly. We propose a novel parallel algorithm based on decomposition into a set of…

Neural and Evolutionary Computing · Computer Science 2016-06-21 Aleksandar Zlateski , Kisuk Lee , H. Sebastian Seung

Message passing on hypergraphs has been a standard framework for learning higher-order correlations between hypernodes. Recently-proposed hypergraph neural networks (HGNNs) can be categorized into spatial and spectral methods based on their…

Machine Learning · Computer Science 2024-05-28 Siddhant Saxena , Shounak Ghatak , Raghu Kolla , Debashis Mukherjee , Tanmoy Chakraborty

Many real world graphs contain time domain information. Temporal Graph Neural Networks capture temporal information as well as structural and contextual information in the generated dynamic node embeddings. Researchers have shown that these…

Machine Learning · Computer Science 2022-07-04 Hongkuan Zhou , Da Zheng , Israt Nisa , Vasileios Ioannidis , Xiang Song , George Karypis