Learning everywhere: Pervasive machine learning for effective high-performance computation

G Fox, JA Glazier, JCS Kadupitiya… - 2019 IEEE …, 2019 - ieeexplore.ieee.org
The convergence of HPC and data intensive methodologies provide a promising approach
to major performance improvements. This paper provides a general description of the …

Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles

JCS Kadupitiya, GC Fox… - The International Journal …, 2020 - journals.sagepub.com
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained
models is extremely challenging due to the need to solve the Poisson equation at every …

Machine learning and high-performance computing hybrid systems, a new way of performance acceleration in engineering and scientific applications

P Gepner - 2021 16th Conference on Computer Science and …, 2021 - ieeexplore.ieee.org
Machine learning is one of the hottest topics in IT industry as well as in academia. Some of
the IT leaders and scientists believe that this is going to totally revolutionise the industry …

Learning everywhere: A taxonomy for the integration of machine learning and simulations

G Fox, S Jha - 2019 15th International Conference on eScience …, 2019 - ieeexplore.ieee.org
We present a taxonomy of research on Machine Learning (ML) applied to enhance
simulations together with a catalog of some activities. We cover eight patterns for the link of …

Contributions to high-performance big data computing

G Fox, J Qiu, D Crandall… - Future Trends of …, 2019 - ebooks.iospress.nl
Our project is at the interface of Big Data and HPC–High-Performance Big Data computing
and this paper describes a collaboration between 7 collaborating Universities at Arizona …

[PDF][PDF] Contributions to High-Performance big data computing

O Beckstein, G Fox, J Qiu, D Crandall… - … report, Digital Science …, 2018 - academia.edu
Our project is at the interface of Big Data and HPC--High-Performance Big Data computing
and this paper describes a collaboration between 7 collaborating Universities at Arizona …

[图书][B] Enhancing Molecular Dynamics Simulations with Machine Learning and Advanced Cyberinfrastructure

JCSK Kadupitige - 2022 - search.proquest.com
Molecular dynamics simulations accelerated by high-performance computing methods are
powerful tools for investigating and extracting the microscopic mechanisms characterizing …

[PDF][PDF] Survey on Deep Learning Models for Time Series Data

JCSK Kadupitige, G Fox, V Jadhao, M Kim - researchgate.net
Molecular dynamics (MD) simulations accelerated by high-performance computing (HPC)
methods are powerful tools for investigating and extracting the microscopic mechanisms …