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Rescale TGLFNN predictive variances correctly - #54
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sylvesterkaczmarek wants to merge 1 commit into
Open
sylvesterkaczmarek wants to merge 1 commit into
sylvesterkaczmarek wants to merge 1 commit into
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Could a maintainer approve the workflow and review the TGLFNN predictive-variance rescaling fix? The change corrects the variance transformation when converting predictions back to the output scale. |
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The TGLFNN output's mean and variance currently share the same affine unnormalization. Adding the output mean to the variance can produce negative uncertainties; scaling by the standard deviation also gives the wrong units.
Keep mean unnormalization unchanged, but give the variance a zero offset and squared standard-deviation scale. Preserve the existing zero-standard-deviation fallback and the output dtype.
Validation
Full CPU suite: 107 tests passed. All 12 new regression cases fail on unpatched main. The tests use a small real GaussianMLP ensemble with known mean and variance, covering scalar/batched inputs, float32/float64 outputs, JIT, and zero-standard-deviation handling. Pyink, isort, and
git diff --checkpass. No GPU/TPU execution was performed.