Search Results for author: Daniil Bash

Found 3 papers, 1 papers with code

Benchmarking the Performance of Bayesian Optimization across Multiple Experimental Materials Science Domains

1 code implementation23 May 2021 Qiaohao Liang, Aldair E. Gongora, Zekun Ren, Armi Tiihonen, Zhe Liu, Shijing Sun, James R. Deneault, Daniil Bash, Flore Mekki-Berrada, Saif A. Khan, Kedar Hippalgaonkar, Benji Maruyama, Keith A. Brown, John Fisher III, Tonio Buonassisi

In the field of machine learning (ML) for materials optimization, active learning algorithms, such as Bayesian Optimization (BO), have been leveraged for guiding autonomous and high-throughput experimentation systems.

Active Learning Benchmarking +2

Predicting thermoelectric properties from crystal graphs and material descriptors - first application for functional materials

no code implementations15 Nov 2018 Leo Laugier, Daniil Bash, Jose Recatala, Hong Kuan Ng, Savitha Ramasamy, Chuan-Sheng Foo, Vijay R. Chandrasekhar, Kedar Hippalgaonkar

We introduce the use of Crystal Graph Convolutional Neural Networks (CGCNN), Fully Connected Neural Networks (FCNN) and XGBoost to predict thermoelectric properties.

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