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Predicting bulk modulus - r^2 values #53

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computron opened this issue May 8, 2019 · 1 comment
Open

Predicting bulk modulus - r^2 values #53

computron opened this issue May 8, 2019 · 1 comment

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@computron
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The bulk modulus notebook takes the absolute value of r^2 when computing the scoring metric. But, it should not do that - if r^2 is less than zero, it is worse than predicting the mean.

Probably it won't affect this specific notebook, but better not to have that code in there. Very simple fix - just remove np.abs() around any r2 computation.

@computron
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(note that negative r^2 would really not happen if you are fitting a model to a provided data set, but extrapolation of a prior model to a new data set can certainly be worse than just predicting the average of values in the new data set.)

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