Search Results for author: Brian DeCost

Found 7 papers, 2 papers with code

Approaches for Uncertainty Quantification of AI-predicted Material Properties: A Comparison

no code implementations19 Oct 2023 Francesca Tavazza, Kamal Choudhary, Brian DeCost

The development of large databases of material properties, together with the availability of powerful computers, has allowed machine learning (ML) modeling to become a widely used tool for predicting material performances.

Prediction Intervals Uncertainty Quantification

Physics in the Machine: Integrating Physical Knowledge in Autonomous Phase-Mapping

no code implementations15 Nov 2021 A. Gilad Kusne, Austin McDannald, Brian DeCost, Corey Oses, Cormac Toher, Stefano Curtarolo, Apurva Mehta, Ichiro Takeuchi

Application of artificial intelligence (AI), and more specifically machine learning, to the physical sciences has expanded significantly over the past decades.

Inductive Bias Materials Screening

The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

2 code implementations3 Jul 2020 Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid, Brian DeCost, Adam J. Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, A. Gilad Kusne, Andrea Centrone, Albert Davydov, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei V. Kalinin, Bobby G. Sumpter, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, Kristjan Haule, David Vanderbilt, Karin Rabe, Francesca Tavazza

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques.

Materials Science Computational Physics

On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning

no code implementations11 Jun 2020 A. Gilad Kusne, Heshan Yu, Changming Wu, Huairuo Zhang, Jason Hattrick-Simpers, Brian DeCost, Suchismita Sarker, Corey Oses, Cormac Toher, Stefano Curtarolo, Albert V. Davydov, Ritesh Agarwal, Leonid A. Bendersky, Mo Li, Apurva Mehta, Ichiro Takeuchi

Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to guide his discovery of celestial mechanics [1].

Active Learning BIG-bench Machine Learning

Machine learning with force-field inspired descriptors for materials: fast screening and mapping energy landscape

1 code implementation18 May 2018 Kamal Choudhary, Brian DeCost, Francesca Tavazza

We present a complete set of chemo-structural descriptors to significantly extend the applicability of machine-learning (ML) in material screening and mapping energy landscape for multicomponent systems.

Materials Science

Building Data-driven Models with Microstructural Images: Generalization and Interpretability

no code implementations1 Nov 2017 Julia Ling, Maxwell Hutchinson, Erin Antono, Brian DeCost, Elizabeth A. Holm, Bryce Meredig

As data-driven methods rise in popularity in materials science applications, a key question is how these machine learning models can be used to understand microstructure.

BIG-bench Machine Learning

Cannot find the paper you are looking for? You can Submit a new open access paper.