Online Presentations (1-6 of 6)

1. Integrating Machine Learning with a Genetic Algorithm for Materials Exploration

   Online Presentations | 07 Dec 2021 | Contributor(s):: Joseph D Kern

   In this talk, we will explore how this algorithm can be used for materials discovery.

2. Active Learning via Bayesian Optimization for Materials Discovery

   Online Presentations | 25 Jun 2021 | Contributor(s):: Hieu Doan, Garvit Agarwal

   In this tutorial, we will demonstrate the use of active learning via Bayesian optimization (BO) to identify ideal molecular candidates for an energy storage application.

3. Convenient and efficient development of Machine Learning Interatomic Potentials

   Online Presentations | 09 Mar 2021 | Contributor(s):: Yunxing Zuo

   This tutorial introduces the concepts of machine learning interatomic potentials (ML-IAPs) in materials science, including two components of local environment atomic descriptors and machine learning models.

4. Module 5: Neural Networks for Regression and Classification

   Online Presentations | 01 Oct 2020 | Contributor(s):: Saaketh Desai, Alejandro Strachan

   This module introduces neural networks for material science and engineering with hands-on online simulations. Neural networks are a subset of machine learning models used to learn mappings between inputs and outputs for a given dataset. Neural networks offer great flexibility and have shown...

5. Module 2: Querying Materials Data Repositories

   Online Presentations | 30 Sep 2020 | Contributor(s):: Zachary D McClure, Alejandro Strachan

   This module introduces modern tools for data acquisition, including performing large queries using application programming interfaces (APIs), with hands-on online workflows. Cyber-infrastructure platforms for data offer unparalleled access to data, this module will introduce tools to manage,...

6. Module 7: Active Learning for Design of Experiments

   Online Presentations | 30 Sep 2020 | Contributor(s):: Alejandro Strachan, Juan Carlos Verduzco Gastelum

   This module introduces active learning in the context of materials discovery with hands-on online simulations. Active learning is a subset of machine learning where the information available at a given time is used to decide what areas of space to explore next. In this module, we will explore...