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Add tests for hydra gemnet OC scaling factor generation and loading; Raise error on fail to load scaling factors #831

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merged 11 commits into from
Oct 1, 2024
Merged

Add tests for hydra gemnet OC scaling factor generation and loading; Raise error on fail to load scaling factors #831

merged 11 commits into from
Oct 1, 2024

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misko
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@misko misko commented Sep 5, 2024

Currently gemnet OC has a test to generate scaling factors and load them.

This adds additional tests for gemnet OC hydra configuration and also by default throws a value error if scaling factors are specified through 'scale_file' but are actually missing for some layers. This way we wont accidentally silently fail to load scaling factors.

Throwing a value error on failure to load can be suppressed by passing 'raise_on_scale_load_error=False' in the model config.

@misko misko requested a review from wood-b September 5, 2024 01:54
@misko misko added bug Something isn't working patch Patch version release labels Sep 5, 2024
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codecov bot commented Sep 5, 2024 •
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Codecov Report

Attention: Patch coverage is 87.50000% with 1 line in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/fairchem/core/modules/scaling/compat.py 66.66% 1 Missing ⚠️
Files with missing lines Coverage Δ
src/fairchem/core/modules/scaling/fit.py 73.80% <100.00%> (+1.08%) ⬆️
src/fairchem/core/modules/scaling/compat.py 91.48% <66.66%> (-1.70%) ⬇️

... and 1 file with indirect coverage changes

@misko misko requested a review from rayg1234 September 9, 2024 15:53
wood-b
wood-b reviewed Sep 13, 2024
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My main concern that the change to fit.py would break scaling factors for non-hydra models

src/fairchem/core/models/gemnet_oc/gemnet_oc.py Outdated Show resolved Hide resolved
src/fairchem/core/modules/scaling/fit.py Outdated Show resolved Hide resolved
wood-b
wood-b previously approved these changes Sep 16, 2024
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LGTM! Thanks Misko!!

@wood-b wood-b self-requested a review October 1, 2024 20:04
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wood-b approved these changes Oct 1, 2024
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LGTM!

@misko misko added this pull request to the merge queue Oct 1, 2024
Merged via the queue into main with commit 3012925 Oct 1, 2024
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@misko misko deleted the add_gemnet_scaling_factors_support_for_hydra branch October 1, 2024 22:10
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@wood-b wood-b wood-b approved these changes

@rayg1234 rayg1234 Awaiting requested review from rayg1234

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