Commit 1fe6f85
test(rtpred): tolerate float32 batch-vs-single drift in Chronologer
The batched PredictRetentionTimeEquivalents override runs the model at
batch size m, while PredictRetentionTimeEquivalent runs it at batch size
1. libtorch selects different conv/matmul kernels for the two paths, so
predictions agree only to float32 precision (~1e-7 relative), not
bit-exactly. Two assertions used Is.EqualTo with no tolerance and failed
on that drift. Add .Within(1e-4) - orders of magnitude above the noise
floor yet tight enough to still catch a genuine batch/single mismatch.
Also soften the override docstring, which claimed the two paths give
identical results.
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>41 files changed
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File tree
- mzLib
- Chromatography/RetentionTimePrediction/Chronologer
- Development/BenchmarkDotNet.Artifacts/results
- Omics
- SpectralLibrary
- SpectralMatch
- Readers/SpectralLibrary
- Test
- AveragingTests
- DatabaseTests
- FileReadingTests/SpectralLibraryTests
- MSL
- RetentionTimePrediction
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mzLib/Development/BenchmarkDotNet.Artifacts/results/Development.MSL.MslBenchmarks-report-github.md
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