CodeDemo

This repository provides code demonstrations, tutorials, and datasets for illustrating the application of Bgolearn in materials design and Bayesian optimization.

🎥 Tutorial Video: BiliBili

Installation

Install Bgolearn:

pip install Bgolearn

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Quick Start

Launch Jupyter Notebook:

jupyter notebook

Open any demo notebook and run step-by-step.

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Related Projects

• Bgolearn: https://github.com/Bin-Cao/Bgolearn
• Documentation: https://bgolearn.netlify.app/

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Citation

@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}
}