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@Bgolearn

Bgolearn

A Bayesian global optimization package for Material Design managed by @Bin-Cao

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A Bayesian global optimization package for material design | Adaptive Learning | Active Learning

Code tutorial : BiliBili

Repos

  • Bgolearn : The Source Code of Bgolearn
  • MultiBgolearn: Multi-Objective Bayesian Global Optimization for Materials Design
  • BgoFace : User interface of the Bgolearn platform
  • CodeDemo : Provides code demonstrations and data to illustrate the application of Bgolearn
  • Document : The Document of Bgolearn
  • MLMD : A programming-free AI platform to predict and design materials

Cite

  • Cao, B., Su, T., Yu, S., Li, T., Zhang, T., Zhang, J., ... & Zhang, T. Y. (2024). Active learning accelerates the discovery of high strength and high ductility lead-free solder alloys. Materials & Design, 241, 112921. https://doi.org/10.1016/j.matdes.2024.112921

Key Points to Understand:

Multi-target selection is not the same as multi-target optimization!

  • Multi-target optimization considers multiple properties simultaneously in both prediction and utility space. It can be implemented using MultiBgolearn in Python.

  • Multi-target selection typically considers two properties independently and then combines them in either the property space or utility space using a Pareto front. A method is constructed to select one solution from the points on the Pareto front. This can be implemented using BgoKit in Python.

Note: We are not claiming that one approach is better than the other; they are fundamentally different. Multi-target optimization truly accounts for the interdependencies between properties, whereas multi-target selection treats properties more independently.

If you are still unclear about the differences, please refer to the video for further explanation.

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  1. BgoFace BgoFace Public

    A Bayesian global optimization package for material design | Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link

    Python 12

  2. CodeDemo CodeDemo Public

    This repository provides code demonstrations and data to illustrate the application of Bgolearn in materials design.

    Jupyter Notebook 4

Repositories

Showing 3 of 3 repositories
  • BgoFace Public

    A Bayesian global optimization package for material design | Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link

    Bgolearn/BgoFace’s past year of commit activity
    Python 12 0 0 0 Updated Mar 16, 2025
  • .github Public
    Bgolearn/.github’s past year of commit activity
    0 0 0 0 Updated Mar 15, 2025
  • CodeDemo Public

    This repository provides code demonstrations and data to illustrate the application of Bgolearn in materials design.

    Bgolearn/CodeDemo’s past year of commit activity
    Jupyter Notebook 4 0 0 0 Updated Mar 2, 2025

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