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Fix masked_binary_crossentropy in run.py #11

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Fix masked_binary_crossentropy in run.py #11

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3 changes: 2 additions & 1 deletion src/chemperium/training/run.py
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Expand Up @@ -320,7 +320,8 @@ def masked_binary_crossentropy(y_true, y_pred):
mask = ~tf.math.is_nan(y_true) # Create a mask where True if y_true is not NaN
masked_y_true = tf.boolean_mask(y_true, mask) # Apply mask to ground truth
masked_y_pred = tf.boolean_mask(y_pred, mask) # Apply mask to predictions
return tf.reduce_mean(BinaryCrossentropy(masked_y_true - masked_y_pred)) # Compute MSE
bce = BinaryCrossentropy() # Instantiate loss function
return bce(masked_y_true, masked_y_pred) # Compute BCE


def masked_mean_squared_error(y_true, y_pred):
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