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Orb latent space Tc classifier AUC

From the 3465 configurations, representing X materials, we have the following ROC curve.

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Orb latent space Tc classifier
Using what we learned when trying to use the MLFF's latent space for Tc prediction, there's a way we can simplify things for the prediction model and give it a better change of picking up on the signa
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Orb latent space Tc classifier confusion matrix

From the 3465 configurations, representing X materials, we have the following confusion matrix. False positives and false negatives are relatively equally represented.

Orb latent space Tc prediction classifier parity plot

Not a very robust report yet. We're not through all the data points and these results come from a few different models (trained with more data as it came available)

Orb latent space Tc classifier eval parity plot

Interactive plot of predicted vs. true Tc on the evaluation set.

Orb latent space Tc classifier train and eval dataset Tc histogram

Visualizing the counts of materials in the training and evaluation dataset by their Tc. First bin is non-superconductors, the rest are ranges of 20 K increments.