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Cross-model validation of the confidence facet bands - #81

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feat/confidence-multimodel-validation
Jul 18, 2026
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Cross-model validation of the confidence facet bands#81
edkerk merged 1 commit into
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feat/confidence-multimodel-validation

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@edkerk edkerk commented Jul 18, 2026

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Runs the equation and gene_association scorers over three more models — Human-GEM (12 877 rxns),
iYali (1924) and panAsp/pAo (1917) — and generalises scripts/measure_confidence_facets.py to load
SBML or cobra YAML/JSON by extension.

Equation-band counts vs yeast-GEM:

equation band yeast-GEM Human-GEM iYali pAo
formula-generic (0.3) 0 66 40 26
formula-unparseable (0.3) 0 0 8 67
charge-unknown (0.6) 0 0 0 0

Two of the three bands yeast-GEM never fires on hit other real models, so they are calibrated, not yeast
artefacts. Only charge-unknown stays fixture-only — a mass-balanced reaction with a charge-less metabolite
is rare (curated models charge everything; drafts fail mass balance first).

gpr+literature (0.9) fires only where reactions carry a pubmed annotation (iYali 749; the others 0). The
gene-rubric-vs-Confidence Level check needs a per-reaction-curated model: iYali and pAo record a blanket
value (all 2, all 0), so only yeast-GEM's varied notes are usable ground truth.

@edkerk
edkerk force-pushed the feat/confidence-thiele-palsson branch from 84e41d8 to 5926c96 Compare July 18, 2026 22:24
@edkerk
edkerk force-pushed the feat/confidence-multimodel-validation branch 2 times, most recently from 3d0122a to 0befcb4 Compare July 18, 2026 22:37
@edkerk edkerk changed the title Cross-model validation of the confidence facet bands (§10.2) Cross-model validation of the confidence facet bands Jul 18, 2026
Base automatically changed from feat/confidence-thiele-palsson to develop July 18, 2026 22:41
Run measure_confidence_facets.py over three further models beyond
yeast-GEM (Human-GEM, iYali, panAsp/pAo) and record the result:

- Two of the three bands §6 could not exercise DO fire on other real
  models -- formula-generic on all three, formula-unparseable on both
  drafts -- so they are calibrated, not yeast artefacts. Only
  charge-unknown stays fixture-only across all four (a mass-balanced
  reaction with a charge-less metabolite is genuinely rare).
- gpr+literature fires only where reactions carry a pubmed annotation.
- The gene-rubric-vs-recorded-Confidence-Level check needs a
  per-reaction-curated model: iYali and pAo record a blanket value, so
  they are not graded ground truth the way yeast-GEM is.

Also generalise the script to load SBML or cobra YAML/JSON by extension
(Human-GEM ships as YAML). Docs: §6 caveat resolved with a pointer to
§10.2; §10.2 written up and marked done. -W docs build clean.
@edkerk
edkerk force-pushed the feat/confidence-multimodel-validation branch from 0befcb4 to 498d1d5 Compare July 18, 2026 22:45
@edkerk
edkerk merged commit 4ee8560 into develop Jul 18, 2026
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@edkerk
edkerk deleted the feat/confidence-multimodel-validation branch July 18, 2026 22:46
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