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Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com>
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.github/copilot-instructions.md

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@@ -84,19 +84,21 @@ The only CI workflow is **CodeQL Advanced** (`.github/workflows/codeql.yml`), wh
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- Built on [Trame](https://kitware.github.io/trame/) — a Python framework for interactive web applications.
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- Uses the **manager pattern**: each feature area has a dedicated `*_manager.py` class that handles its UI components and business logic.
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- `state_manager.py` manages the global Trame server, state, and controller.
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- Data flows through MongoDB (PyMongo) for experiment/simulation data and ML models.
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- Data flows through MongoDB (PyMongo) for experiment and simulation data.
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- Data flows through MLflow for ML models.
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- NERSC Superfacility API integration is in `sfapi_manager.py`.
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### ML Training
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- `train_model.py` supports three model types: Gaussian Process (GP), Neural Network (NN), and Ensemble.
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- Uses PyTorch, BoTorch, and GPyTorch for model training.
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- CUDA is auto-detected for GPU acceleration.
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- Models are serialized and stored in MongoDB.
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- Models are serialized and stored in an MLflow tracking server.
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### Data Storage
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- **MongoDB** is used for all persistent data (experiments, simulation data, ML models).
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- **MongoDB** is used for persistent data from experiments and simulations.
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- **MLflow** is used for persistent data from ML models.
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- Database access requires SSH tunneling to NERSC when running locally.
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- Environment variables: `SF_DB_HOST`, `SF_DB_READONLY_PASSWORD` (dashboard), `SF_DB_ADMIN_PASSWORD` (ML training).
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