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Bin-Cao committed Dec 3, 2023
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</h1>



🤝🤝🤝 Please star ⭐️ it for promoting open source projects 🌍 ! Thanks !

## links
![Screenshot 2023-11-16 at 11 23 35](https://github.com/Bin-Cao/Bgolearn/assets/86995074/cd0d24e4-06db-45f7-b6d6-12750fa8b819)

- https://www.wheelodex.org/projects/bgolearn/
- https://pypi.tuna.tsinghua.edu.cn/simple/bgolearn/
- [user count](https://pypistats.org/packages/bgolearn)


### for regression
- 1.Expected Improvement algorith (期望提升函数)

- 2.Expected improvement with “plugin” (有“plugin”的期望提升函数)

- 3.Augmented Expected Improvement (增广期望提升函数)

- 4.Expected Quantile Improvement (期望分位提升函数)

- 5.Reinterpolation Expected Improvement (重插值期望提升函数)

- 6.Upper confidence bound (高斯上确界函数)

- 7.Probability of Improvement (概率提升函数)

- 8.Predictive Entropy Search (预测熵搜索函数)

- 9.Knowledge Gradient (知识梯度函数)

### for classification
- 1.Least Confidence (欠信度函数)

- 2.Margin Sampling (边界函数)

- 3.Entropy-based approach (熵索函数)

## Download History (- Nov16,2023)
![WechatIMG4661](https://github.com/Bin-Cao/Bgolearn/assets/86995074/591e26b4-c8c3-4a17-ae8b-b3bcf9237514)


if you have any questions or need help, you are welcome to contact me

Source code: [![](https://img.shields.io/badge/PyPI-caobin-blue)](https://pypi.org/project/Bgolearn/)
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## Package Document / 手册
see 📒 [Bgolearn](https://bgolearn.netlify.app) (Click to view)

见 📒 [中文说明](https://mp.weixin.qq.com/s/y-i_2ixbtJOv-nEYDu9THg) (Click to view)

Written using Python, which is suitable for operating systems, e.g., Windows/Linux/MAC OS etc.


## Template
``` javascript
# import BGOsampling after installation
# 安装后, 通过此命令调用BGOsampling类
import Bgolearn.BGOsampling as BGOS

# import your dataset (Samples have been characterized)
# 导入研究的数据集(已经表征过的样本)
data = pd.read_csv('data.csv')
# features
x = data.iloc[:,:-1]
# response / target
y = data.iloc[:,-1]

# virtual samples which have same feature dimension with x
# 设计的虚拟样本, 与x具有相同的维度
vs = pd.read_csv('virtual_data.csv')

# instantiate class
# 实例化类 Bgolearn
Bgolearn = BGOS.Bgolearn()

# Pass parameters to the function
# 传入参数
Mymodel = Bgolearn.fit(data_matrix = x, Measured_response = y, virtual_samples = vs)

# derive the result by EI
# 通过EI导出结果
Mymodel.EI()
```

If you are using this code, please cite:
+ Zhang Tong-yi, Cao Bin, Wang Yuanhao, Tian Yuan, Sun Sheng. Bayesian global optimization package for material design [2022SR1481726], 2022, Software copyright, GitHub : github.com/Bin-Cao/Bgolearn.

Zhang Tong-yi, Cao Bin, Wang Yuanhao, Tian Yuan, Sun Sheng. Bayesian global optimization package for material design [2022SR1481726], 2022, Software copyright, GitHub : github.com/Bin-Cao/Bgolearn.

## Installing / 安装
pip install Bgolearn
Expand All @@ -50,10 +118,26 @@ Before version 2.0, function building

Bgolearn V2.1.1 Jun 9, 2023. *para noise_std* By default, the built-in Gaussian process model estimates the noise of the input dataset by maximum likelihood, and yields in a more robust model.


``` javascript
from BgoKit import ToolKit
# vs is the virtual samples
# score_1,score_2 are output of Bgolearn

Model = ToolKit.MultiOpt(vs,[score_1,score_2])
Model.BiSearch()
Model.plot_distribution()
```
See : [Link](https://github.com/Bin-Cao/Bgolearn/blob/main/Template/%E4%B8%AD%E6%96%87%E7%A4%BA%E4%BE%8B/%E5%A4%9A%E7%9B%AE%E6%A0%87%E5%AE%9E%E7%8E%B0/%E5%A4%9A%E7%9B%AE%E6%A0%87.ipynb)


``` javascript
Thank you for choosing Bgolearn for material design.
Bgolearn is developed to facilitate the application of machine learning in research.
Bgolearn is designed for optimizing single-target material properties.
Bgolearn is designed for optimizing single-target material properties.
The BgoKit package is being developed to facilitate multi-task design.


If you need to perform multi-target optimization, here are two important reminders:

1. Multi-tasks can be converted into a single task using domain knowledge.
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