no code implementations • 15 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.
1 code implementation • 23 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.
no code implementations • 14 Jun 2022 • Siyu Isaac Parker Tian, Zekun Ren, Selvaraj Venkataraj, Yuanhang Cheng, Daniil Bash, Felipe Oviedo, J. Senthilnath, Vijila Chellappan, Yee-Fun Lim, Armin G. Aberle, Benjamin P MacLeod, Fraser G. L. Parlane, Curtis P. Berlinguette, Qianxiao Li, Tonio Buonassisi, Zhe Liu
Transfer learning increasingly becomes an important tool in handling data scarcity often encountered in machine learning.