All Categories (1-3 of 3)

1. Bayesian optimization tutorial using Jupyter notebook

   Tools | 11 Jun 2021 | Contributor(s):: Hieu Doan, Garvit Agarwal

   Active learning via Bayesian optimization for materials discovery

2. Hands-on Unsupervised Learning using Dimensionality Reduction via Matrix Decomposition (2nd offering)

   Online Presentations | 30 Apr 2020 | Contributor(s):: Michael N Sakano, Alejandro Strachan

   This tutorial introduces unsupervised machine learning algorithms through dimensionality reduction via matrix decomposition techniques in the context of chemical decomposition of reactive materials in a Jupyter notebook on nanoHUB.org. The tool used in this demonstration...

3. Chemical Autoencoder for Latent Space Enrichment

   Tools | 19 Sep 2019 | Contributor(s):: Bryan Arciniega, Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

   Chemical Autencoder uses machine learning for property prediction