Extrapolative Bayesian optimization with Gaussian process and neural network ensemble surrogate models

• المؤلفون الرئيسيون: Lim, Yee-Fun, Ng, Chee Koon, Vaitesswar, U. S., Hippalgaonkar, Kedar
• مؤلفون آخرون: School of Materials Science and Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2022
• الموضوعات: Engineering::Materials; Automated Experiments; Bayesian Optimization
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/159296
• المؤسسة: Nanyang Technological University

Bayesian optimization (BO) has emerged as the algorithm of choice for guiding the selection of experimental parameters in automated active learning driven high throughput experiments in materials science and chemistry. Previous studies suggest that optimization performance of the typical surrogate m...