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Commit c3ff58aa authored by chobday's avatar chobday
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Update outline.md

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- State attributes, atoms, bonds
- Use info to set up the model
# Training NN to get desired material properties
## Training NN to get desired material properties
- Caloric materials:
- Mechanical properties
- Vibrational properties
# Training for elastic constant
## Training for elastic constant
- Bulk modulus
- Start with the dataset (what dataset) to graph network
# Set up training
## Set up training
- Training, test, validation
# Interested in? Perovskites, plastic crystals, etc.
## Interested in? Perovskites, plastic crystals, etc.
- How better is the prediction?
- Compare to the actual values
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- change from full materials project to a large subset to a small subset
- see errors on predictions
# Tuned by changing the dimensionality of the system
## Tuned by changing the dimensionality of the system
- Efficiency vs accuracy
- Cpus vs gpus
# Optimisation methods to predict properties where there is less data
## Optimisation methods to predict properties where there is less data
- How can we predict?
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