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🤝🤝🤝 Please star ⭐️ it for promoting open source projects 🌍 ! Thanks ! For inquiries or assistance, please don't hesitate to contact us at [email protected] (Dr. CAO Bin). | ||
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**Bgolearn** has been implemented in the machine learning platform [MLMD](http://123.60.55.8/). | ||
**Bgolearn** has been implemented in the machine learning platform [MLMD](http://123.60.55.8/). **Bgolearn Code** : [here](https://colab.research.google.com/drive/1OSc-phxm7QLOm8ceGJiIMGGz9riuwP6Q?usp=sharing) The **video of Bgolearn** has been uploaded to platforms : [BiliBili](https://www.bilibili.com/video/BV1Ae411J76z/?spm_id_from=333.999.0.0&vd_source=773e0c92141f498497cfafd0112fc146). [YouTube](https://www.youtube.com/watch?v=MSG6wcBol64&t=48s). | ||
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**Bgolearn Code** : [here](https://colab.research.google.com/drive/1OSc-phxm7QLOm8ceGJiIMGGz9riuwP6Q?usp=sharing) | ||
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The **video of Bgolearn** has been uploaded to platforms : [BiliBili](https://www.bilibili.com/video/BV1Ae411J76z/?spm_id_from=333.999.0.0&vd_source=773e0c92141f498497cfafd0112fc146). [YouTube](https://www.youtube.com/watch?v=MSG6wcBol64&t=48s). | ||
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## cite | ||
1: | ||
Cao, Bin and Su, Tianhao and Yu, Shuting and Li, Tianyuan and Zhang, Taolue and Dong, Ziqiang and Zhang, Tong-Yi, Active Learning Accelerates the Discovery of High Strength and High Ductility Lead-Free Solder Alloys. Available at SSRN: https://ssrn.com/abstract=4686075 or http://dx.doi.org/10.2139/ssrn.4686075. [GitHub : github.com/Bin-Cao/Bgolearn.] | ||
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2: | ||
Ma, J.∔, Cao, B.∔, Dong, S, Tian, Y, Wang, M, Xiong, J, Sun, S. et al. MLMD: a programming-free AI platform to predict and design materials. npj Comput Mater 10, 59 (2024). https://doi.org/10.1038/s41524-024-01243-4 | ||
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## links | ||
![Screenshot 2023-11-16 at 11 23 35](https://github.com/Bin-Cao/Bgolearn/assets/86995074/cd0d24e4-06db-45f7-b6d6-12750fa8b819) | ||
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- https://www.wheelodex.org/projects/bgolearn/ | ||
- https://pypi.tuna.tsinghua.edu.cn/simple/bgolearn/ | ||
- [user count](https://pypistats.org/packages/bgolearn) | ||
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### for regression | ||
- 1.Expected Improvement algorith (期望提升函数) | ||
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- 3.Entropy-based approach (熵索函数) | ||
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## Download History (- Nov16,2023) | ||
![WechatIMG4661](https://github.com/Bin-Cao/Bgolearn/assets/86995074/591e26b4-c8c3-4a17-ae8b-b3bcf9237514) | ||
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if you have any questions or need help, you are welcome to contact me | ||
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Source code: [![](https://img.shields.io/badge/PyPI-caobin-blue)](https://pypi.org/project/Bgolearn/) | ||
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# Python package - Bgolearn | ||
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**No gradient** information is used | ||
![plot](https://github.com/Bin-Cao/Bgolearn/assets/86995074/d4e43900-eadb-4ddf-af46-0208314de41a) | ||
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## Package Document / 手册 | ||
see 📒 [Bgolearn](https://bgolearn.netlify.app) (Click to view) | ||
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见 📒 [中文说明](https://mp.weixin.qq.com/s/y-i_2ixbtJOv-nEYDu9THg) (Click to view) | ||
## Installing / 安装 | ||
pip install Bgolearn | ||
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## Checking / 查看 | ||
pip show Bgolearn | ||
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## Updating / 更新 | ||
pip install --upgrade Bgolearn | ||
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Written using Python, which is suitable for operating systems, e.g., Windows/Linux/MAC OS etc. | ||
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## Template | ||
``` javascript | ||
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Mymodel.EI() | ||
``` | ||
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## Installing / 安装 | ||
pip install Bgolearn | ||
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## Checking / 查看 | ||
pip show Bgolearn | ||
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## Updating / 更新 | ||
pip install --upgrade Bgolearn | ||
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## Update log / 日志 | ||
Before version 2.0, function building | ||
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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. | ||
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## Multi-task design | ||
pip install BgoKit | ||
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<img src="https://github.com/Bin-Cao/Bgolearn/assets/86995074/41c90c29-364c-47cc-aefe-4433f7d93e23" alt="1" width="300" height="300"> | ||
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``` javascript | ||
Thank you for choosing Bgolearn for materials design. | ||
Bgolearn is developed to facilitate the application of machine learning in research. | ||
Bgolearn is designed for optimizing single-target material properties. | ||
The BgoKit package is being developed to facilitate multi-task design. | ||
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If you need to perform multi-target optimization, here are two important reminders: | ||
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1. Multi-tasks can be converted into a single task using domain knowledge. | ||
For example, you can use a weighted linear combination in the simplest situation. That is, y = w*y1 + y2... | ||
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2. Multi-tasks can be optimized using Pareto fronts. | ||
Bgolearn will return two arrays based on your dataset: | ||
the first array is a evaluation score for each virtual sample, | ||
while the second array is the recommended data considering only the current optimized target. | ||
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The first array is crucial for multi-task optimization. | ||
For instance, in a two-task optimization scenario, you can evaluate each candidate twice for the two separate targets. | ||
Then, plot the score of target 1 for each sample on the x-axis and the score of target 2 on the y-axis. | ||
The trade-off consideration is to select the data located in the front of the banana curve. | ||
## cite | ||
1: | ||
Cao B., Su T, Yu S, Li T, Zhang T, Zhang J, Dong Z, Zhang Ty. Active learning accelerates the discovery of high strength and high ductility lead-free solder alloys, Materials & Design, 2024, 112921, ISSN 0264-1275, https://doi.org/10.1016/j.matdes.2024.112921. | ||
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I am delighted to invite you to participate in the development of Bgolearn. | ||
If you have any issues or suggestions, please feel free to contact me at [email protected]. | ||
``` | ||
2: | ||
Ma J.∔, Cao B.∔, Dong S, Tian Y, Wang M, Xiong J, Sun S. MLMD: a programming-free AI platform to predict and design materials. npj Comput Mater 10, 59 (2024). https://doi.org/10.1038/s41524-024-01243-4 | ||
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## References / 参考文献 | ||
See : [papers](https://github.com/Bin-Cao/Bgolearn/tree/main/Refs) | ||
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## About / 更多 | ||
Maintained by Bin Cao. Please feel free to open issues in the Github or contact Bin Cao | ||
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