model-training/README.md
Hannes Martin Signer d62115b111 update README
2025-02-27 13:09:10 +01:00

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# Training of AI Surrogate Models
This repository contains the current experiments for training AI models that attempt to predict the chemistry component of POET and is structued as follows:
```
└── dataset
└── Barite_50_Data_training.h5
└── barite_50_4_corner.h5
└── doc
└── results
└── src
└── POET_Training.ipynb
└── convert_data.jl
└── optuna_runs.py
└── preprocessing.py
```
The datasets in `datasets` must first be pulled via `git lfs pull` to get the data from the large file storage.
A conda environment can then be set up with the packages contained in environment.yml with `conda env create -f environment.yml`
The `preprocessing.py` file defines all the necessary steps for preprocessing as well as the keras models used. The actual training and additional explanations then take place in `POET_Training.ipynb`.