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Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…

Computational Physics · Physics 2021-10-05 Viktor Zaverkin , David Holzmüller , Ingo Steinwart , Johannes Kästner

Many artificial intelligence (AI) devices have been developed to accelerate the training and inference of neural networks models. The most common ones are the Graphics Processing Unit (GPU) and Tensor Processing Unit (TPU). They are highly…

Machine Learning · Computer Science 2022-10-25 xiangyang Ju , Yunsong Wang , Daniel Murnane , Nicholas Choma , Steven Farrell , Paolo Calafiura

The training process of Deep Neural Network (DNN) is compute-intensive, often taking days to weeks to train a DNN model. Therefore, parallel execution of DNN training on GPUs is a widely adopted approach to speed up the process nowadays.…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-29 Chi-Chung Chen , Chia-Lin Yang , Hsiang-Yun Cheng

Graph Neural Networks (GNNs) have shown success in many real-world applications that involve graph-structured data. Most of the existing single-node GNN training systems are capable of training medium-scale graphs with tens of millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-03-02 Yi-Chien Lin , Viktor Prasanna

We study the performance of a cloud-based GPU-accelerated inference server to speed up event reconstruction in neutrino data batch jobs. Using detector data from the ProtoDUNE experiment and employing the standard DUNE grid job submission…

High Energy Physics - Experiment · Physics 2023-10-31 Tejin Cai , Kenneth Herner , Tingjun Yang , Michael Wang , Maria Acosta Flechas , Philip Harris , Burt Holzman , Kevin Pedro , Nhan Tran

There has been a strong demand for algorithms that can execute machine learning as faster as possible and the speed of deep learning has accelerated by 30 times only in the past two years. Distributed deep learning using the large…

Graph Neural Networks (GNNs) have become popular across a diverse set of tasks in exploring structural relationships between entities. However, due to the highly connected structure of the datasets, distributed training of GNNs on…

Machine Learning · Computer Science 2025-09-08 Arefin Niam , Tevfik Kosar , M S Q Zulkar Nine

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-20 Rishov Sarkar , Stefan Abi-Karam , Yuqi He , Lakshmi Sathidevi , Cong Hao

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph Neural Networks (GNNs) have shown great superiority on non-Euclidean graph data, achieving ground-breaking performance on various graph-related tasks. As a practical solution to train GNN on large graphs with billions of nodes and…

Machine Learning · Computer Science 2024-09-24 Zeyu Zhu , Peisong Wang , Qinghao Hu , Gang Li , Xiaoyao Liang , Jian Cheng

Graph Neural Networks (GNNs) have demonstrated outstanding performance in various applications. Existing frameworks utilize CPU-GPU heterogeneous environments to train GNN models and integrate mini-batch and sampling techniques to overcome…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-13 Xin Ai , Qiange Wang , Chunyu Cao , Yanfeng Zhang , Chaoyi Chen , Hao Yuan , Yu Gu , Ge Yu

As recurrent neural networks become larger and deeper, training times for single networks are rising into weeks or even months. As such there is a significant incentive to improve the performance and scalability of these networks. While…

Machine Learning · Computer Science 2016-04-08 Jeremy Appleyard , Tomas Kocisky , Phil Blunsom

The emerging Graph Convolutional Network (GCN) has now been widely used in many domains, and it is challenging to improve the efficiencies of applications by accelerating the GCN trainings. For the sparsity nature and exploding scales of…

Machine Learning · Computer Science 2022-10-11 Shaoxian Xu , Zhiyuan Shao , Ci Yang , Xiaofei Liao , Hai Jin

Reduction of training time is an important issue in many tasks like patent translation involving neural networks. Data parallelism and model parallelism are two common approaches for reducing training time using multiple graphics processing…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-10 Junya Ono , Masao Utiyama , Eiichiro Sumita

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

Graph Convolutional Networks (GCNs) are increasingly adopted in large-scale graph-based recommender systems. Training GCN requires the minibatch generator traversing graphs and sampling the sparsely located neighboring nodes to obtain their…

Machine Learning · Computer Science 2021-08-17 Seung Won Min , Kun Wu , Sitao Huang , Mert Hidayetoğlu , Jinjun Xiong , Eiman Ebrahimi , Deming Chen , Wen-mei Hwu

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer…

Machine Learning · Computer Science 2023-06-09 Yuxuan Cao , Jiarong Xu , Carl Yang , Jiaan Wang , Yunchao Zhang , Chunping Wang , Lei Chen , Yang Yang

Graph Neural Networks (GNNs) are a powerful tool for handling structured graph data and addressing tasks such as node classification, graph classification, and clustering. However, the sparse nature of GNN computation poses new challenges…

Machine Learning · Computer Science 2023-08-24 Julia Bazinska , Andrei Ivanov , Tal Ben-Nun , Nikoli Dryden , Maciej Besta , Siyuan Shen , Torsten Hoefler

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Graph Neural Networks (GNNs) have shown significant promise in various domains, such as recommendation systems, bioinformatics, and network analysis. However, the irregularity of graph data poses unique challenges for efficient computation,…

Machine Learning · Computer Science 2024-11-26 Pol Puigdemont , Enrico Russo , Axel Wassington , Abhijit Das , Sergi Abadal , Maurizio Palesi