no code implementations • 27 Oct 2021 • J. C. S. Kadupitiya, Nasim Anousheh, Vikram Jadhao
We recently introduced machine learning surrogates for molecular dynamics simulations of soft materials and demonstrated that artificial neural network based regression models can successfully predict the relationships between the input material attributes and the simulation outputs.
no code implementations • 13 Feb 2021 • Eleftherios Garyfallidis, Shreyas Fadnavis, Jong Sung Park, Bramsh Qamar Chandio, Javier Guaje, Serge Koudoro, Nasim Anousheh
Clustering is a fundamental problem in machine learning where distance-based approaches have dominated the field for many decades.