Fix per-example loss scaling for mixed-length batches#572
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Summary
AlphaFoldLossuntil final aggregation.sqrt(min(seq_length, crop_len))independently per local batch example before taking the final mean.Root Cause
Issue #517 points out that the loss scale was computed from the average sequence length of the local batch, then applied after the component losses had already been averaged. For local batches containing examples with different sequence lengths, this gives the wrong scaling factor for every example except by coincidence.
Changes
AlphaFoldLosscan requestreduction="none".AlphaFoldLossto validate per-example component shapes, aggregate weighted per-example losses, apply per-example sequence-length scaling, and then mean over the local batch.Fixes #517.
Validation
python -m py_compile openfold/utils/loss.py tests/test_loss.pygit diff --checkreduction="none"paths, violation atom normalization, and fullAlphaFoldLossmixed-length aggregation.Notes
The full targeted pytest command could not run in this local checkout because the available Python environment is incomplete/broken:
uv run pytest ...fails on invalid local Anacondallvmliteegg metadata, andpython -m pytest ...fails during collection becauseml_collectionsis missing.