Xiangyan93 / Active-Learning-HESOs

Active learning for High-Entropy-Spinel-Oxides Discovery

Active-Learning-HESOs

Active learning for High-Entropy-Spinel-Oxides Discovery

Database

Database Creation, data import and export.

1. Create the database.

   python create.py
   

2. Import experimental data.

   python import.py --input database/raw_data/purity_KS.csv --property purity --tag KS
   python import.py --input database/raw_data/purity_al_init.csv --property purity
   python import.py --input database/raw_data/T90_al_init.csv --property T90
   python import.py --input database/raw_data/al1.csv --property purity
   python import.py --input database/raw_data/al1.csv --property T90
   python import.py --input database/raw_data/al2.csv --property purity
   python import.py --input database/raw_data/al2.csv --property T90
   python import.py --input database/raw_data/al3.csv --property purity
   python import.py --input database/raw_data/al3.csv --property T90
   python import.py --input database/raw_data/al4.csv --property purity
   python import.py --input database/raw_data/al4.csv --property T90
   

3. Optionally, you can export experimental data.

   python export.py --property purity
   

4. Active Learning.

   python3 active_learning.py --n_samples 5
   

Machine Learning

See notebook.