This repository provides code demonstrations, tutorials, and datasets for illustrating the application of Bgolearn in materials design and Bayesian optimization.
🎥 Tutorial Video: BiliBili
Install Bgolearn:
pip install BgolearnLaunch Jupyter Notebook:
jupyter notebookOpen any demo notebook and run step-by-step.
- Bgolearn: https://github.com/Bin-Cao/Bgolearn
- Documentation: https://bgolearn.netlify.app/
@article{cao2026bgolearn,
title = {Bgolearn: a Unified Bayesian Optimization Framework for Accelerating Materials Discovery},
author = {Cao, Bin and Xiong, Jie and Ma, Jiaxuan and Tian, Yuan and Hu, Yirui and He, Mengwei and Zhang, Longhan and Wang, Jiayu and Hui, Jian and Liu, Li and Xue, Dezhen and Lookman, Turab and Zhang, Tong-Yi},
journal = {arXiv preprint arXiv:2601.06820},
year = {2026},
eprint = {2601.06820},
archivePrefix= {arXiv},
primaryClass = {cond-mat.mtrl-sci},
doi = {https://doi.org/10.48550/arXiv.2601.06820}
}