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docs: record that n_poses was checked for provenance leakage and is clean - #26
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…lean n_poses sits on the boundary the probe draws. It is the number of modes Vina returned, so a property of the run, yet it is in the feature matrix and arguably says something about the complex -- and the 13 GPU rows ran at exhaustiveness 16, so it could plausibly encode the engine. Measured: the distributions overlap almost entirely (both dominated by 9, with one GPU-only value from a single row), and n_poses alone under receptor-grouped CV scores 0.1892 against a floor of 0.1894 -- marginally below, which is noise. It carries no label signal and is not proxying the engine, so it stays a feature. Also recorded: assert_provenance_is_not_a_feature was run against the rebuilt matrices rather than only unit-tested, and none of the three provenance columns reaches X_train_eligible.parquet, which is what the model actually sees. Writing an assertion is not the same as it holding.
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Follow-up measurement on HAL-4071, recorded because it is the first question a reviewer asks after reading the probe.
n_posessits on the boundary the probe draws. It is the number of modes Vina returned — a property of the run — yet it is in the feature matrix and arguably says something about the complex. The 13 Uni-Dock rows ran at exhaustiveness 16, so it could plausibly encode the engine.Measured 2026-10-25
The distributions overlap almost entirely; the only GPU-only value is a single row.
Marginally below the floor, which is noise. No label signal, not proxying the engine — so it stays a feature rather than being removed on suspicion.
Also recorded
assert_provenance_is_not_a_featurewas run against the rebuilt matrices, not only unit-tested: it passes onml_ready_dataset.parquetanddataset_holdout.parquet, and none of the three provenance columns reachesX_train_eligible.parquet(478 × 2547), which is what the model actually sees.Writing an assertion is not the same as it holding, and the doc should say which one was done.
No-Linear-Issue: a measurement recorded against HAL-4071, which is already Done; too small to warrant its own issue.