Archive 4 checkpoints (1-4)
Browse files- paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/dataset/server_1/model8/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript.py +592 -0
- paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/dataset/server_1/model8/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript_before_final_caption_fix.py +565 -0
- paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/metadata/inference_locations.json +5 -0
- paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/metadata/request.json +19 -0
paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/dataset/server_1/model8/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript.py
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|
| 1 |
+
#!/usr/bin/env python3
|
| 2 |
+
"""Stage the PBISC-Diffusion Figure 1--5 manuscript without changing its Git tree.
|
| 3 |
+
|
| 4 |
+
--preview emits an explicitly incomplete review draft. --require-complete refuses
|
| 5 |
+
until every strict unit and its source binding has been verified, then uses the
|
| 6 |
+
same staged file map. No Git, archive or network write is performed here.
|
| 7 |
+
"""
|
| 8 |
+
from __future__ import annotations
|
| 9 |
+
|
| 10 |
+
import argparse
|
| 11 |
+
import csv
|
| 12 |
+
import hashlib
|
| 13 |
+
import json
|
| 14 |
+
import re
|
| 15 |
+
import shutil
|
| 16 |
+
import subprocess
|
| 17 |
+
from collections import defaultdict
|
| 18 |
+
from pathlib import Path
|
| 19 |
+
|
| 20 |
+
ROOT = Path(__file__).resolve().parents[1]
|
| 21 |
+
CANON = Path('/home/sj_server_1/PBISC/paper-release-20260928/manuscript')
|
| 22 |
+
STAGE = ROOT / 'manuscript'
|
| 23 |
+
EDITS = STAGE / 'edits'
|
| 24 |
+
COHORTS = ('ye2026_sepsis', 'imperial_eskd', 'giroux2022', 'ji2025_chili')
|
| 25 |
+
FIGURES = {
|
| 26 |
+
'fig1_overview.pdf': 'fig1_overview.pdf',
|
| 27 |
+
'fig2_ablation_and_support.pdf': 'fig2_ablation_and_support.pdf',
|
| 28 |
+
'fig4_historical_5fold_separate.pdf': 'fig4_historical_5fold_separate.pdf',
|
| 29 |
+
}
|
| 30 |
+
FINAL_FIGURES = {
|
| 31 |
+
'fig3_healthy_strict_oof.pdf': 'fig3_healthy_strict_oof.pdf',
|
| 32 |
+
'fig3_realism_metrics.pdf': 'fig3_realism_metrics.pdf',
|
| 33 |
+
'fig3_canonical_marker_dotplot.pdf': 'fig3_canonical_marker_dotplot.pdf',
|
| 34 |
+
'fig3_umap_by_celltype.pdf': 'fig3_umap_by_celltype.pdf',
|
| 35 |
+
'fig3_composition_fractions.pdf': 'fig3_composition_fractions.pdf',
|
| 36 |
+
'fig3_runtime_components.pdf': 'fig3_runtime_components.pdf',
|
| 37 |
+
'fig4_disease_strict_draws.pdf': 'fig4_disease_strict_draws.pdf',
|
| 38 |
+
'fig4_disease_signal_strict.pdf': 'fig4_disease_signal_strict.pdf',
|
| 39 |
+
'fig4_disease_signal_scatter.pdf': 'fig4_disease_signal_scatter.pdf',
|
| 40 |
+
'fig4_disease_signal_heatmap.pdf': 'fig4_disease_signal_heatmap.pdf',
|
| 41 |
+
'fig4_disease_signal_cat.pdf': 'fig4_disease_signal_cat.pdf',
|
| 42 |
+
'fig4_deconvolution_strict.pdf': 'fig4_deconvolution_strict.pdf',
|
| 43 |
+
'fig4_deconvolution_expression_strict.pdf': 'fig4_deconvolution_expression_strict.pdf',
|
| 44 |
+
'fig5_rare_states_strict.pdf': 'fig5_rare_states_strict.pdf',
|
| 45 |
+
'fig5_rare_visuals_strict.pdf': 'fig5_rare_visuals_strict.pdf',
|
| 46 |
+
'fig5_all_states_strict.pdf': 'fig5_all_states_strict.pdf',
|
| 47 |
+
'fig5_behcet_rules_strict.pdf': 'fig5_behcet_rules_strict.pdf',
|
| 48 |
+
}
|
| 49 |
+
|
| 50 |
+
|
| 51 |
+
def digest(path: Path) -> str:
|
| 52 |
+
h = hashlib.sha256()
|
| 53 |
+
with path.open('rb') as f:
|
| 54 |
+
for chunk in iter(lambda: f.read(1024 * 1024), b''):
|
| 55 |
+
h.update(chunk)
|
| 56 |
+
return h.hexdigest()
|
| 57 |
+
|
| 58 |
+
|
| 59 |
+
def document(path: Path) -> dict:
|
| 60 |
+
return json.loads(path.read_text())
|
| 61 |
+
|
| 62 |
+
|
| 63 |
+
def rows(path: Path) -> list[dict[str, str]]:
|
| 64 |
+
with path.open(newline='') as f:
|
| 65 |
+
return list(csv.DictReader(f))
|
| 66 |
+
|
| 67 |
+
|
| 68 |
+
def tracked_sources() -> list[Path]:
|
| 69 |
+
raw = subprocess.check_output(['git', '-C', str(CANON), 'ls-files', '-z'])
|
| 70 |
+
paths = [Path(p.decode()) for p in raw.split(b'\0') if p]
|
| 71 |
+
wanted = {'.tex', '.bib', '.cls', '.bst'}
|
| 72 |
+
return [p for p in paths if p.suffix in wanted or
|
| 73 |
+
(p.parts[0] == 'figures' and p.suffix.lower() in {'.pdf', '.png'})]
|
| 74 |
+
|
| 75 |
+
|
| 76 |
+
def checked_provenance(path: Path, label: str) -> dict:
|
| 77 |
+
if not path.is_file():
|
| 78 |
+
raise ValueError(f'{label}: missing {path}')
|
| 79 |
+
item = document(path)
|
| 80 |
+
for entry in item.get('sources', []) + item.get('outputs', []):
|
| 81 |
+
source = Path(entry['path'])
|
| 82 |
+
if not source.is_file() or digest(source) != entry['sha256']:
|
| 83 |
+
raise ValueError(f'{label}: source/output hash mismatch: {source}')
|
| 84 |
+
return item
|
| 85 |
+
|
| 86 |
+
|
| 87 |
+
def strict_gate() -> tuple[list[str], dict]:
|
| 88 |
+
gaps = []
|
| 89 |
+
readiness_path = ROOT / 'reports/figures234_readiness.json'
|
| 90 |
+
readiness = document(readiness_path) if readiness_path.is_file() else {}
|
| 91 |
+
if readiness.get('schema') != 'pbisc.paper.figures234.v1' or readiness.get('status') != 'complete':
|
| 92 |
+
gaps.append('Figures 2--4 readiness is not complete')
|
| 93 |
+
f2, f3, f4 = (readiness.get(k, {}) for k in ('figure2', 'figure3', 'figure4'))
|
| 94 |
+
if f2.get('strict_complete_units') != 20 or f2.get('strict_missing') or not f2.get('pretrain_composition_ready'):
|
| 95 |
+
gaps.append('Figure 2 needs 20/20 strict healthy support units')
|
| 96 |
+
if (f3.get('strict_complete_folds') != 5 or not f3.get('visual_export_ready') or
|
| 97 |
+
not f3.get('extras_complete') or not f3.get('runtime_ready')):
|
| 98 |
+
gaps.append('Figure 3 needs 5/5 folds, visual, extras and time receipts')
|
| 99 |
+
if (set(f4.get('strict_complete_draws', {})) != set(COHORTS) or
|
| 100 |
+
any(f4['strict_complete_draws'].get(c) != 5 for c in COHORTS) or
|
| 101 |
+
any(f4.get(k) for k in ('contrast_missing', 'deconvolution_missing',
|
| 102 |
+
'deconvolution_signal_missing'))):
|
| 103 |
+
gaps.append('Figure 4 needs 5/5 strict draws per cohort and contrast/deconvolution evidence')
|
| 104 |
+
expected_healthy = {(f'fold{fold}', n) for fold in range(5) for n in (5, 10, 20, 40)}
|
| 105 |
+
expected_disease = {(c, f'draw{draw}') for c in COHORTS for draw in range(5)}
|
| 106 |
+
curve = rows(ROOT / 'source_data/fig2_strict_curve.csv')
|
| 107 |
+
if {(r['fold'], int(r['n_pairs'])) for r in curve} != expected_healthy:
|
| 108 |
+
gaps.append('Figure 2 strict CSV has incomplete fold/size units')
|
| 109 |
+
healthy = rows(ROOT / 'source_data/fig3_per_sample.csv')
|
| 110 |
+
if {r['fold'] for r in healthy} != {f'fold{n}' for n in range(5)}:
|
| 111 |
+
gaps.append('Figure 3 strict per-sample CSV has incomplete folds')
|
| 112 |
+
disease = rows(ROOT / 'source_data/fig4_strict_per_sample.csv')
|
| 113 |
+
if {(r['cohort'], r['draw']) for r in disease} != expected_disease or any(
|
| 114 |
+
r.get('design') != 'strict_exact5_donor_draw' for r in disease):
|
| 115 |
+
gaps.append('Figure 4 strict CSV has incomplete or mixed-design draws')
|
| 116 |
+
for filename, table in [('fig2_strict_curve.csv', curve), ('fig3_per_sample.csv', healthy),
|
| 117 |
+
('fig4_strict_per_sample.csv', disease)]:
|
| 118 |
+
if not table or any(not r.get('support_sha256') for r in table):
|
| 119 |
+
gaps.append(f'{filename} lacks source-bound support hashes')
|
| 120 |
+
for record in curve + healthy + disease:
|
| 121 |
+
source = record.get('summary')
|
| 122 |
+
source_hash = record.get('summary_sha256')
|
| 123 |
+
if source and source_hash and (not Path(source).is_file() or digest(Path(source)) != source_hash):
|
| 124 |
+
gaps.append(f'score summary hash mismatch: {source}')
|
| 125 |
+
break
|
| 126 |
+
for table, kind in ((curve, 'healthy'), (healthy, 'healthy'), (disease, 'disease')):
|
| 127 |
+
for record in table:
|
| 128 |
+
cohort = record.get('cohort', 'immicro')
|
| 129 |
+
unit = record.get('fold') if kind == 'healthy' else record.get('draw')
|
| 130 |
+
suffix = f'{unit}/n{record["n_pairs"]}' if table is curve else (
|
| 131 |
+
f'{unit}/n5' if kind == 'healthy' else unit)
|
| 132 |
+
support = ROOT / 'protocol/splits' / cohort / kind / suffix / 'support.json'
|
| 133 |
+
if not support.is_file() or document(support).get('sha256') != record.get('support_sha256'):
|
| 134 |
+
gaps.append(f'{cohort}/{kind}/{suffix}: source support mismatch')
|
| 135 |
+
break
|
| 136 |
+
summary = ROOT / 'scores' / cohort / kind / suffix / 'score/summary.json'
|
| 137 |
+
score_sha = record.get('score_sha256') or record.get('summary_sha256')
|
| 138 |
+
if not summary.is_file() or digest(summary) != score_sha:
|
| 139 |
+
gaps.append(f'{cohort}/{kind}/{suffix}: score summary hash mismatch')
|
| 140 |
+
break
|
| 141 |
+
rare_path = ROOT / 'reports/rare_provenance.json'
|
| 142 |
+
rare = document(rare_path) if rare_path.is_file() else {}
|
| 143 |
+
units = rare.get('units', [])
|
| 144 |
+
if (rare.get('schema') != 'pbisc.figure5.analysis.v1' or len(units) != 20 or
|
| 145 |
+
{(u.get('cohort'), u.get('unit')) for u in units} != expected_disease or
|
| 146 |
+
any(u.get('design') != 'strict5pair' or u.get('evidence_tier') != 'strict'
|
| 147 |
+
or not u.get('support_sha256') for u in units)):
|
| 148 |
+
gaps.append('Figure 5 needs all 20 strict rare-state receipts')
|
| 149 |
+
rare_table = rows(ROOT / 'source_data/rare_summary.csv')
|
| 150 |
+
if (not rare_table or {r.get('evidence_tier') for r in rare_table} != {'strict'} or
|
| 151 |
+
{(r['cohort'], r['unit']) for r in rare_table} != expected_disease):
|
| 152 |
+
gaps.append('Figure 5 rare-state CSV is absent, diagnostic or incomplete')
|
| 153 |
+
for cohort, unit in expected_disease:
|
| 154 |
+
subset = [r for r in rare_table if r.get('cohort') == cohort and r.get('unit') == unit]
|
| 155 |
+
if {r.get('arm') for r in subset} != {'raw', 'refcal', 'pairedcal', 'scsemi', 'lora'}:
|
| 156 |
+
gaps.append(f'Figure 5 strict arms incomplete: {cohort}/{unit}')
|
| 157 |
+
break
|
| 158 |
+
for unit in units:
|
| 159 |
+
support = ROOT / 'protocol/splits' / str(unit.get('cohort')) / 'disease' / str(unit.get('unit')) / 'support.json'
|
| 160 |
+
if not support.is_file() or document(support).get('sha256') != unit.get('support_sha256'):
|
| 161 |
+
gaps.append(f'Figure 5 strict support hash mismatch: {unit.get("cohort")}/{unit.get("unit")}')
|
| 162 |
+
break
|
| 163 |
+
if readiness.get('status') == 'complete':
|
| 164 |
+
runtime = ROOT / 'source_data/fig3_runtime.csv'
|
| 165 |
+
runtime_meta = ROOT / 'source_data/fig3_runtime.json'
|
| 166 |
+
visual = ROOT / 'source_data/fig3_visual_data.npz'
|
| 167 |
+
visual_meta = ROOT / 'source_data/fig3_visual_data.json'
|
| 168 |
+
if (not runtime.is_file() or not runtime_meta.is_file() or
|
| 169 |
+
document(runtime_meta).get('csv_sha256') != digest(runtime)):
|
| 170 |
+
gaps.append('Figure 3 runtime source/receipt hash mismatch')
|
| 171 |
+
if (not visual.is_file() or not visual_meta.is_file() or
|
| 172 |
+
document(visual_meta).get('npz_sha256') != digest(visual)):
|
| 173 |
+
gaps.append('Figure 3 visual source/receipt hash mismatch')
|
| 174 |
+
extras = ROOT / 'source_data/fig3_extras.csv'
|
| 175 |
+
if not extras.is_file() or not rows(extras):
|
| 176 |
+
gaps.append('Figure 3 realism extras CSV is missing')
|
| 177 |
+
for name in ('fig4_strict_contrast.csv', 'fig4_deconvolution.csv',
|
| 178 |
+
'fig4_deconvolution_signal.csv', 'fig4_corrected_statistics.csv',
|
| 179 |
+
'fig4_cross_draw_donor_ci.csv', 'fig4_donor_aware_signal.csv',
|
| 180 |
+
'fig4_donor_aware_summary.csv', 'fig4_donor_aware_genes.csv',
|
| 181 |
+
'fig4_donor_aware_cat.csv'):
|
| 182 |
+
path = ROOT / 'source_data' / name
|
| 183 |
+
if not path.is_file() or not rows(path):
|
| 184 |
+
gaps.append(f'Figure 4 required source table missing: {name}')
|
| 185 |
+
cross = ROOT / 'source_data/fig4_cross_draw_donor_ci.csv'
|
| 186 |
+
cross_receipt = ROOT / 'source_data/fig4_cross_draw_donor_ci.json'
|
| 187 |
+
if (not cross_receipt.is_file() or not cross.is_file() or
|
| 188 |
+
document(cross_receipt).get('csv_sha256') != digest(cross) or
|
| 189 |
+
{r.get('cohort') for r in rows(cross)} != set(COHORTS)):
|
| 190 |
+
gaps.append('Figure 4 five-draw donor-cluster CI source or receipt mismatch')
|
| 191 |
+
corrected = ROOT / 'source_data/fig4_donor_aware_signal.csv'
|
| 192 |
+
corrected_provenance = ROOT / 'source_data/fig4_donor_aware_provenance.json'
|
| 193 |
+
corrected_rows = rows(corrected) if corrected.is_file() else []
|
| 194 |
+
if (not corrected_provenance.is_file() or not corrected_rows or
|
| 195 |
+
{(r.get('cohort'), r.get('draw')) for r in corrected_rows} != expected_disease or
|
| 196 |
+
any(r.get('status') not in ('ok', 'not_estimable') for r in corrected_rows)):
|
| 197 |
+
gaps.append('Figure 4 corrected donor-aware disease signal is absent or incomplete')
|
| 198 |
+
for filename in FINAL_FIGURES:
|
| 199 |
+
if not (ROOT / 'figures' / filename).is_file():
|
| 200 |
+
gaps.append(f'missing strict figure: {filename}')
|
| 201 |
+
return gaps, readiness
|
| 202 |
+
|
| 203 |
+
|
| 204 |
+
def numeric_summary(table: list[dict], keys: tuple[str, ...], metrics: tuple[str, ...]) -> str:
|
| 205 |
+
"""Render observed means only; no unsupported ordering or P value."""
|
| 206 |
+
data: dict[tuple[str, ...], dict[str, list[float]]] = defaultdict(lambda: defaultdict(list))
|
| 207 |
+
for row in table:
|
| 208 |
+
group = tuple(row[k] for k in keys)
|
| 209 |
+
for metric in metrics:
|
| 210 |
+
try:
|
| 211 |
+
value = float(row[metric])
|
| 212 |
+
except (KeyError, ValueError, TypeError):
|
| 213 |
+
continue
|
| 214 |
+
if value == value and value not in (float('inf'), float('-inf')):
|
| 215 |
+
data[group][metric].append(value)
|
| 216 |
+
lines = []
|
| 217 |
+
for group, values in sorted(data.items()):
|
| 218 |
+
parts = [f'{key}={value}' for key, value in zip(keys, group)]
|
| 219 |
+
parts += [f'{metric}={sum(items)/len(items):.3f} (n={len(items)})'
|
| 220 |
+
for metric, items in values.items() if items]
|
| 221 |
+
lines.append('; '.join(parts).replace('_', r'\_') + r'\par')
|
| 222 |
+
return '\n'.join(lines)
|
| 223 |
+
|
| 224 |
+
|
| 225 |
+
def complete_results() -> None:
|
| 226 |
+
"""Fill only numbers present in verified strict CSVs; leave no preview placeholders."""
|
| 227 |
+
additions = {
|
| 228 |
+
2: ('source_data/fig2_strict_curve.csv', ('n_pairs', 'arm'), ('precision', 'coverage', 'comp_l1')),
|
| 229 |
+
3: ('source_data/fig3_per_sample.csv', ('arm',), ('precision', 'coverage', 'comp_l1')),
|
| 230 |
+
4: ('source_data/fig4_strict_per_sample.csv', ('cohort', 'arm'), ('pb_r', 'comp_l1')),
|
| 231 |
+
5: ('source_data/rare_summary.csv', ('cohort', 'arm'), ('mae_donor_pp', 'generated_zero_donors')),
|
| 232 |
+
}
|
| 233 |
+
openers = {
|
| 234 |
+
2: (r'\subsection*{Pretraining design and strict paired-support curve}' '\n'
|
| 235 |
+
'The held-out native-pseudobulk precision and coverage ablations use the '
|
| 236 |
+
'common 1,006-gene rescore described in Methods. Architecture and gene-panel '
|
| 237 |
+
'families have different training detection floors. The nested ImMicro curve '
|
| 238 |
+
'uses five outer folds and $n=5,10,20,40$ distinct training donors per fold. '
|
| 239 |
+
'Historical rank and full-parameter five-fold results are reported separately.\n'),
|
| 240 |
+
3: (r'\subsection*{Healthy generation with exact five-pair support}' '\n'
|
| 241 |
+
'Each ImMicro outer fold uses one matched sample from each of five training '
|
| 242 |
+
'donors for LoRA, paired calibration and scSemiProfiler. The remaining donors '
|
| 243 |
+
'are evaluated on common observed cells, measured genes and frozen labels. '
|
| 244 |
+
'Figure~\\ref{fig:fig3} displays the strict quality measures and operational '
|
| 245 |
+
'time, which excludes population pretraining.\n'),
|
| 246 |
+
4: (r'\subsection*{Disease comparisons with exact five-pair support}' '\n'
|
| 247 |
+
'Each of four disease cohorts contributes five frozen draws. One earliest '
|
| 248 |
+
'identity-passed matched-stratum visit per selected donor trains all arms; '
|
| 249 |
+
'other visits of that donor are excluded. Donor-aware disease contrasts and '
|
| 250 |
+
'deconvolution are scored on the common held-out support. The old five-fold '
|
| 251 |
+
'analysis remains a separate historical sensitivity analysis.\n'),
|
| 252 |
+
5: (r'\subsection*{Rare states with paired support}' '\n'
|
| 253 |
+
'All four disease cohorts and five draws use the exact same five-pair supports '
|
| 254 |
+
'as Figure~\\ref{fig:fig4}. Zero-generated-state draws remain in every '
|
| 255 |
+
'aggregate, required-marker failures make a state ineligible, and repeated '
|
| 256 |
+
'visits are clustered by donor. The unmatched Beh\\c{c}et analysis is '
|
| 257 |
+
'descriptive and separate.\n'),
|
| 258 |
+
}
|
| 259 |
+
for number, (source, keys, metrics) in additions.items():
|
| 260 |
+
path = STAGE / 'sections' / f'results_fig{number}.tex'
|
| 261 |
+
text = openers[number]
|
| 262 |
+
text += ('\n\\textbf{Measured strict-support summary.} Values below are arithmetic means '
|
| 263 |
+
'of the named source-data rows; $n$ counts rows, not independent donors. '
|
| 264 |
+
'Donor-cluster uncertainty and formal comparisons require the separate '
|
| 265 |
+
'statistics receipts.\\par\n')
|
| 266 |
+
text += numeric_summary(rows(ROOT / source), keys, metrics) + '\n'
|
| 267 |
+
if number == 2:
|
| 268 |
+
text += ('\nComposition was evaluated on exactly the same selected cells and Poisson '
|
| 269 |
+
'counts as the pretraining precision/coverage comparison, using the frozen '
|
| 270 |
+
'AIFI annotator. The original logFC and top-DEG ablation panels are retained '
|
| 271 |
+
'separately with their original epoch, readout and seed budgets; their '
|
| 272 |
+
'absolute scores are not mixed with the new rescore.\\par\n')
|
| 273 |
+
text += numeric_summary(rows(ROOT / 'source_data/ablation_pretrain_composition_summary.csv'),
|
| 274 |
+
('family', 'method'), ('comp_l1_mean',)) + '\n'
|
| 275 |
+
if number == 3:
|
| 276 |
+
extras = []
|
| 277 |
+
for record in rows(ROOT / 'source_data/fig3_extras.csv'):
|
| 278 |
+
if record.get('table') == 'metrics.csv' and record.get('mode') == 'raw':
|
| 279 |
+
extras.append({'arm': record.get('set', ''), **record})
|
| 280 |
+
elif (record.get('table') == 'en.csv' and record.get('cellset') == 'pc'
|
| 281 |
+
and record.get('distance') == 'sq'):
|
| 282 |
+
extras.append({'arm': record.get('set', ''), **record})
|
| 283 |
+
text += ('\n\\textbf{Realism and operational time.} C2ST AUC, MMD$^2$ '
|
| 284 |
+
'and $E_N$ are computed from the strict extras; time is fine-tuning '
|
| 285 |
+
'plus inference seconds, with pretraining excluded.\\par\n')
|
| 286 |
+
text += numeric_summary(extras, ('arm',), ('c2st_rf_auc', 'mmd2_sum', 'en')) + '\n'
|
| 287 |
+
text += numeric_summary(rows(ROOT / 'source_data/fig3_runtime.csv'),
|
| 288 |
+
('arm',), ('operational_seconds',)) + '\n'
|
| 289 |
+
if number == 4:
|
| 290 |
+
donor_aware = [r for r in rows(ROOT / 'source_data/fig4_donor_aware_signal.csv')
|
| 291 |
+
if r.get('status') == 'ok']
|
| 292 |
+
text += ('\n\\textbf{Primary donor-aware disease signal.} Equal-patient '
|
| 293 |
+
'condition contrasts, with repeated visits collapsed by donor and '
|
| 294 |
+
'condition, are reported by cohort, arm, cell type and draw. '
|
| 295 |
+
'A missing population is marked not estimable and contributes no '
|
| 296 |
+
'fabricated zero. The values below summarize estimable rows; '
|
| 297 |
+
'patient-cluster intervals are in the accompanying source tables.\\par\n')
|
| 298 |
+
text += numeric_summary(donor_aware, ('cohort', 'arm'),
|
| 299 |
+
('pearson_r', 'partial_r', 'cat50', 'limma_top50')) + '\n'
|
| 300 |
+
contrast = [r for r in rows(ROOT / 'source_data/fig4_strict_contrast.csv')
|
| 301 |
+
if r.get('table') == 'headline.csv']
|
| 302 |
+
text += ('\n\\textbf{Historical contrast sensitivity.} The legacy per-sample '
|
| 303 |
+
'logFC, CAT and limma headline values below retain their original '
|
| 304 |
+
'independent-sample definition. They are separate from corrected '
|
| 305 |
+
'donor-aware disease signal.\\par\n')
|
| 306 |
+
text += numeric_summary(contrast, ('cohort', 'arm'),
|
| 307 |
+
('partial_r', 'cat50', 'limma_top50')) + '\n'
|
| 308 |
+
text += ('\n\\textbf{Cross-draw uncertainty.} Donor-cluster confidence intervals '
|
| 309 |
+
'over all five verified draws, with repeated visits and draw membership '
|
| 310 |
+
'kept together, are supplied in '
|
| 311 |
+
'\\texttt{fig4\\_cross\\_draw\\_donor\\_ci.csv}.\\par\n')
|
| 312 |
+
text += ('\n\\textbf{Same-support deconvolution.} Deconvolution '
|
| 313 |
+
'provides fractions and supported cell-type expression, not '
|
| 314 |
+
'generated-cell realism scores.\\par\n')
|
| 315 |
+
text += numeric_summary(rows(ROOT / 'source_data/fig4_deconvolution.csv'),
|
| 316 |
+
('cohort', 'arm'), ('composition_l1',)) + '\n'
|
| 317 |
+
path.write_text(text)
|
| 318 |
+
path = STAGE / 'sections/discussion.tex'
|
| 319 |
+
path.write_text('\\section*{Discussion}\n'
|
| 320 |
+
'The strict-support numerical summaries in Figs~2--5 report the completed '
|
| 321 |
+
'five-pair design. They should be interpreted with their donor-cluster '
|
| 322 |
+
'uncertainty and source tables; row counts are not biological replicates. '
|
| 323 |
+
'Historical five-fold and unmatched Beh\\c{c}et analyses remain separate. '
|
| 324 |
+
'Figure~\\ref{fig:fig6} awaits the user-prepared bulk-only reproduction data.\n')
|
| 325 |
+
|
| 326 |
+
|
| 327 |
+
def copy_source_files() -> dict[str, str]:
|
| 328 |
+
before = {}
|
| 329 |
+
for rel in tracked_sources():
|
| 330 |
+
src, dst = CANON / rel, STAGE / rel
|
| 331 |
+
if not src.is_file():
|
| 332 |
+
raise ValueError(f'tracked source missing: {src}')
|
| 333 |
+
before[str(rel)] = digest(src)
|
| 334 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 335 |
+
shutil.copy2(src, dst)
|
| 336 |
+
return before
|
| 337 |
+
|
| 338 |
+
|
| 339 |
+
def edit_method_model() -> None:
|
| 340 |
+
path = STAGE / 'sections/methods_model.tex'
|
| 341 |
+
body = path.read_text().split('\\subsection*{SLE benchmark and frozen cell-type annotator}')[0]
|
| 342 |
+
body = body.replace('Fig.~\\ref{fig:fig1}b', 'Fig.~\\ref{fig:fig1}')
|
| 343 |
+
body = body.replace('Fig.~\\ref{fig:fig1}a', 'Fig.~\\ref{fig:fig1}')
|
| 344 |
+
body = body.replace('Fig.~\\ref{fig:fig1}c', 'Fig.~\\ref{fig:fig1}')
|
| 345 |
+
body = body.replace('Fig.~\\ref{fig:fig1}d', 'Fig.~\\ref{fig:fig1}')
|
| 346 |
+
body = body.replace('Fig.~\\ref{fig:fig1}f', 'Fig.~\\ref{fig:fig2}')
|
| 347 |
+
body = re.sub(r'It produced every generated cell set in this study except the threshold-read-out sets.*?Unless stated otherwise',
|
| 348 |
+
'The pretraining design rescoring in Fig.~\\\\ref{fig:fig2} uses saved epoch-16 Bernoulli outputs. Unless stated otherwise',
|
| 349 |
+
body, flags=re.S)
|
| 350 |
+
body += '\n\\subsection*{Held-out pretraining design rescore}\n'
|
| 351 |
+
body += ('Saved architecture and gene-panel outputs for the 42 held-out SLE donors were rescored '
|
| 352 |
+
'separately. On the common 1,006-gene axis, each donor contributed 100 real reference cells, '
|
| 353 |
+
'100 disjoint real query cells and 100 generated cells per arm. One fixed Poisson read-out, '
|
| 354 |
+
'a real-reference 50-component PCA and $k=10$ local neighbourhoods defined precision and '
|
| 355 |
+
'coverage. The architecture and panel families had different training detection floors and '
|
| 356 |
+
'are not a factorial comparison. One saved generation seed per arm makes these descriptive scores.\n')
|
| 357 |
+
path.write_text(body)
|
| 358 |
+
|
| 359 |
+
|
| 360 |
+
def overlay(final: bool) -> list[str]:
|
| 361 |
+
changed = []
|
| 362 |
+
for src in sorted((EDITS / 'sections').glob('*.tex')):
|
| 363 |
+
dst = STAGE / 'sections' / src.name
|
| 364 |
+
shutil.copy2(src, dst)
|
| 365 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 366 |
+
edit_method_model()
|
| 367 |
+
changed.append('sections/methods_model.tex')
|
| 368 |
+
main = STAGE / 'main.tex'
|
| 369 |
+
content = main.read_text()
|
| 370 |
+
content = content.replace('% Overleaf main document.', '% RESTRUCTURING DRAFT: strict Figures 3--5 remain pending.\n% Overleaf main document.', 1)
|
| 371 |
+
content = content.replace('% Figures with their legends, each on its own page(s). Panels are the deck\'s vector graphics, placed as-is;\n% the 180 mm journal layout is still to be drawn.',
|
| 372 |
+
'% Figure 1--5 restructuring draft; strict missing panels are explicitly labelled.')
|
| 373 |
+
if final:
|
| 374 |
+
content = content.replace('% RESTRUCTURING DRAFT: strict Figures 3--5 remain pending.\n', '')
|
| 375 |
+
else:
|
| 376 |
+
content = content.replace('\\maketitle',
|
| 377 |
+
'\\maketitle\n\\noindent\\fcolorbox{red}{white}{\\parbox{0.92\\textwidth}{'
|
| 378 |
+
'\\textbf{RESTRUCTURING DRAFT.} Strict five-pair results for Figs 2--5 '
|
| 379 |
+
'are incomplete. The approved title, abstract and Introduction retain their '
|
| 380 |
+
'original wording and must be rereviewed against final strict results.}}\\par\\medskip', 1)
|
| 381 |
+
main.write_text(content)
|
| 382 |
+
changed.append('main.tex')
|
| 383 |
+
supp = STAGE / 'supplementary.tex'
|
| 384 |
+
supp_text = supp.read_text()
|
| 385 |
+
supp_text = supp_text.replace('\\begin{document}',
|
| 386 |
+
'\\begin{document}\n\\noindent\\textcolor{red}{[HISTORICAL SUPPLEMENTARY DRAFT: '
|
| 387 |
+
'legacy analyses have not been reconciled with exact-five-pair support.]}\\par\\medskip', 1)
|
| 388 |
+
supp.write_text(supp_text)
|
| 389 |
+
changed.append('supplementary.tex')
|
| 390 |
+
figures = dict(FIGURES)
|
| 391 |
+
if final:
|
| 392 |
+
complete_results()
|
| 393 |
+
(STAGE / 'sections/fig2.tex').write_text(
|
| 394 |
+
'\\mainfigure{fig:fig2}{Pretraining design, real-bulk adaptation and exact paired-data budgets}\n'
|
| 395 |
+
'\\figpanelh{}{figures/strict_20261012/fig2_ablation_and_support.pdf}{0.80}\n'
|
| 396 |
+
'\\figlegend{Native pseudobulk architecture and panel sweeps use the same held-out '
|
| 397 |
+
'donors, measured genes and readout within each sweep; the 1\\% and 0.1\\% training '
|
| 398 |
+
'floors are distinct experiments. Composition uses the same selected cells and frozen '
|
| 399 |
+
'annotator. Full fine-tuning and LoRA ranks 4, 16 and 64 use matched real-bulk '
|
| 400 |
+
'five-fold train/validation/test sets. Rank 16 is the quality--parameter-budget choice, '
|
| 401 |
+
'not the best on every metric. Strict learning curves use exactly 5, 10, 20 or 40 '
|
| 402 |
+
'different donor/sample pairs, fixed 3,000 LoRA updates and no extra validation pairs. '
|
| 403 |
+
'Raw and external AIFI calibration use zero target paired single-cell samples. '
|
| 404 |
+
'Foldwise points and means are descriptive; generated cells are not independent donors.}\n'
|
| 405 |
+
'\\figpanelh{Historical architecture logFC/DEG benchmark; original protocol}{figures/deck_20261010/sec03_width_bench.pdf}{0.44}\n'
|
| 406 |
+
'\\figpanelh{Historical gene-panel logFC/DEG benchmark; original protocol}{figures/deck_20261010/sec03_panel.pdf}{0.44}\n'
|
| 407 |
+
'\\figlegend{These historical panels retain their original epoch aggregation, readouts '
|
| 408 |
+
'and unequal available generation-seed budgets. They connect the expression/DEG '
|
| 409 |
+
'endpoints to the newly rescored geometry and composition endpoints, but are not '
|
| 410 |
+
'same-protocol numerical comparisons with the panels above.}\n')
|
| 411 |
+
changed.append('sections/fig2.tex')
|
| 412 |
+
figures.update(FINAL_FIGURES)
|
| 413 |
+
strict_figures = {
|
| 414 |
+
'fig3': ('Healthy exact five-pair OOF', 'fig3_healthy_strict_oof.pdf'),
|
| 415 |
+
'fig4': ('Disease exact five-pair draws', 'fig4_disease_strict_draws.pdf'),
|
| 416 |
+
'fig5': ('Paired rare states under exact five-pair support', 'fig5_rare_states_strict.pdf'),
|
| 417 |
+
}
|
| 418 |
+
for name, (title, filename) in strict_figures.items():
|
| 419 |
+
p = STAGE / 'sections' / f'{name}.tex'
|
| 420 |
+
panels = f'\\figpanelh{{}}{{figures/strict_20261012/{filename}}}{{0.77}}\n'
|
| 421 |
+
if name == 'fig3':
|
| 422 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig3_realism_metrics.pdf}{0.38}\n')
|
| 423 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig3_canonical_marker_dotplot.pdf}{0.42}\n')
|
| 424 |
+
for extra in ('umap_by_celltype','composition_fractions','runtime_components'):
|
| 425 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig3_{extra}.pdf}}{{0.62}}\n'
|
| 426 |
+
if name == 'fig4':
|
| 427 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig4_disease_signal_strict.pdf}{0.48}\n'
|
| 428 |
+
'\\figpanelh{}{figures/strict_20261012/fig4_deconvolution_strict.pdf}{0.42}\n'
|
| 429 |
+
'\\figpanelh{}{figures/strict_20261012/fig4_deconvolution_expression_strict.pdf}{0.48}\n')
|
| 430 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig4_historical_5fold_separate.pdf}{0.38}\n')
|
| 431 |
+
for extra in ('scatter','heatmap','cat'):
|
| 432 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig4_disease_signal_{extra}.pdf}}{{0.60}}\n'
|
| 433 |
+
if name == 'fig5':
|
| 434 |
+
for extra in ('rare_visuals','all_states','behcet_rules'):
|
| 435 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig5_{extra}_strict.pdf}}{{0.72}}\n'
|
| 436 |
+
p.write_text(f'\\mainfigure{{fig:{name}}}{{{title}}}\n' + panels +
|
| 437 |
+
'\\figlegend{Strict-support results and source-data tables are '
|
| 438 |
+
'reported in the corresponding Results section. Figure 4 historical '
|
| 439 |
+
'five-fold values appear in a separate labelled panel.}\n')
|
| 440 |
+
for source, target in figures.items():
|
| 441 |
+
src = ROOT / 'figures' / source
|
| 442 |
+
if not src.is_file():
|
| 443 |
+
raise ValueError(f'missing figure: {src}')
|
| 444 |
+
dst = STAGE / 'figures/strict_20261012' / target
|
| 445 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 446 |
+
shutil.copy2(src, dst)
|
| 447 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 448 |
+
evidence = ('source_data/fig1_corpus_aggregates.json',
|
| 449 |
+
'source_data/ablation_pretrain_pc.csv',
|
| 450 |
+
'source_data/ablation_pretrain_pc_receipt.json',
|
| 451 |
+
'source_data/fig2_historical_rank_full.csv',
|
| 452 |
+
'source_data/fig4_historical_5fold.csv',
|
| 453 |
+
'reports/figure1_provenance.json',
|
| 454 |
+
'reports/figures234_readiness.json',
|
| 455 |
+
'reports/rare_provenance.json')
|
| 456 |
+
if final:
|
| 457 |
+
evidence += ('source_data/fig2_strict_curve.csv',
|
| 458 |
+
'source_data/fig3_per_sample.csv',
|
| 459 |
+
'source_data/fig3_extras.csv',
|
| 460 |
+
'source_data/fig3_runtime.csv',
|
| 461 |
+
'source_data/fig3_runtime.json',
|
| 462 |
+
'source_data/fig3_visual_data.json',
|
| 463 |
+
'source_data/fig4_strict_per_sample.csv',
|
| 464 |
+
'source_data/fig4_corrected_statistics.csv',
|
| 465 |
+
'source_data/fig4_cross_draw_donor_ci.csv',
|
| 466 |
+
'source_data/fig4_cross_draw_donor_ci.json',
|
| 467 |
+
'source_data/fig4_donor_aware_signal.csv',
|
| 468 |
+
'source_data/fig4_donor_aware_summary.csv',
|
| 469 |
+
'source_data/fig4_donor_aware_genes.csv',
|
| 470 |
+
'source_data/fig4_donor_aware_cat.csv',
|
| 471 |
+
'source_data/fig4_donor_aware_provenance.json',
|
| 472 |
+
'source_data/fig4_strict_contrast.csv',
|
| 473 |
+
'source_data/fig4_deconvolution.csv',
|
| 474 |
+
'source_data/fig4_deconvolution_signal.csv',
|
| 475 |
+
'source_data/rare_summary.csv',
|
| 476 |
+
'source_data/rare_ineligible_states.csv',
|
| 477 |
+
'source_data/rare_behcet_descriptive.csv')
|
| 478 |
+
for rel in evidence:
|
| 479 |
+
src = ROOT / rel
|
| 480 |
+
if not src.is_file():
|
| 481 |
+
raise ValueError(f'missing source data: {src}')
|
| 482 |
+
dst = STAGE / 'strict_20261012' / rel
|
| 483 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 484 |
+
shutil.copy2(src, dst)
|
| 485 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 486 |
+
changed.extend(['sections/fig1.tex', 'sections/fig2.tex', 'sections/fig3.tex',
|
| 487 |
+
'sections/fig4.tex', 'sections/fig5.tex'])
|
| 488 |
+
return sorted(set(changed))
|
| 489 |
+
|
| 490 |
+
|
| 491 |
+
def verify_unchanged_frontmatter(original: dict[str, str]) -> None:
|
| 492 |
+
for name in ('sections/abstract.tex', 'sections/introduction.tex', 'authors.tex'):
|
| 493 |
+
if digest(STAGE / name) != original[name]:
|
| 494 |
+
raise ValueError(f'user-approved frontmatter changed: {name}')
|
| 495 |
+
canonical_main = (CANON / 'main.tex').read_text()
|
| 496 |
+
staged_main = (STAGE / 'main.tex').read_text()
|
| 497 |
+
for pattern in (r'\\title\{[^\n]+', r'\\abstract\{[^\n]+'):
|
| 498 |
+
if re.search(pattern, canonical_main).group() != re.search(pattern, staged_main).group():
|
| 499 |
+
raise ValueError(f'user-approved title or abstract command changed: {pattern}')
|
| 500 |
+
|
| 501 |
+
|
| 502 |
+
def allowed_frontmatter_refresh(previous: dict[str, str], current: dict[str, str],
|
| 503 |
+
*, old_main: str | None = None, new_main: str | None = None) -> dict:
|
| 504 |
+
"""Permit only new approved Title, Abstract and Introduction source text."""
|
| 505 |
+
changed = {name: {'previous_sha256': old, 'current_sha256': current.get(name)}
|
| 506 |
+
for name, old in previous.items() if current.get(name) != old}
|
| 507 |
+
allowed = {'main.tex', 'sections/abstract.tex', 'sections/introduction.tex'}
|
| 508 |
+
extra = set(changed) - allowed
|
| 509 |
+
if extra:
|
| 510 |
+
raise ValueError(f'canonical source changed outside approved frontmatter: {sorted(extra)}')
|
| 511 |
+
if 'main.tex' in changed:
|
| 512 |
+
if old_main is None or new_main is None:
|
| 513 |
+
raise ValueError('main.tex changed beyond approved title/abstract commands')
|
| 514 |
+
pattern = r'\\(?:title|abstract)\{[^\n]*\}'
|
| 515 |
+
if re.sub(pattern, r'\\frontmatter{APPROVED}', old_main) != re.sub(
|
| 516 |
+
pattern, r'\\frontmatter{APPROVED}', new_main):
|
| 517 |
+
raise ValueError('main.tex changed beyond approved title/abstract commands')
|
| 518 |
+
return changed
|
| 519 |
+
|
| 520 |
+
|
| 521 |
+
def main() -> None:
|
| 522 |
+
p = argparse.ArgumentParser(description=__doc__)
|
| 523 |
+
mode = p.add_mutually_exclusive_group(required=True)
|
| 524 |
+
mode.add_argument('--preview', action='store_true')
|
| 525 |
+
mode.add_argument('--require-complete', action='store_true')
|
| 526 |
+
args = p.parse_args()
|
| 527 |
+
if subprocess.check_output(['git', '-C', str(CANON), 'status', '--porcelain']).strip():
|
| 528 |
+
raise SystemExit('canonical manuscript is not clean; refusing to assemble')
|
| 529 |
+
checked_provenance(ROOT / 'reports/figure1_provenance.json', 'Figure 1')
|
| 530 |
+
pretrain = checked_provenance(ROOT / 'source_data/ablation_pretrain_pc_receipt.json', 'Figure 2 P/C')
|
| 531 |
+
recipe = pretrain.get('recipe', {})
|
| 532 |
+
if (pretrain.get('schema') != 'pbisc.fig2.pretrain_pc.v1' or
|
| 533 |
+
recipe.get('n_pcs') != 50 or recipe.get('local_k') != 10 or
|
| 534 |
+
pretrain.get('gene_axis', {}).get('n') != 1006 or
|
| 535 |
+
{r['family'] for r in rows(ROOT / 'source_data/ablation_pretrain_pc.csv')} !=
|
| 536 |
+
{'architecture_floor1pct', 'panel_floor0.1pct'}):
|
| 537 |
+
raise SystemExit('Figure 2 measured P/C receipt or source table differs from the frozen rescore')
|
| 538 |
+
gaps, readiness = strict_gate()
|
| 539 |
+
if args.require_complete and gaps:
|
| 540 |
+
raise SystemExit('final assembly refused:\n- ' + '\n- '.join(sorted(set(gaps))))
|
| 541 |
+
previous = STAGE / 'integration_manifest.json'
|
| 542 |
+
refreshed = {}
|
| 543 |
+
if previous.is_file() and args.require_complete:
|
| 544 |
+
prior = document(previous)
|
| 545 |
+
old = prior.get('canonical_source_sha256', {})
|
| 546 |
+
current = {rel: digest(CANON / rel) if (CANON / rel).is_file() else None for rel in old}
|
| 547 |
+
old_main = None
|
| 548 |
+
if current.get('main.tex') != old.get('main.tex'):
|
| 549 |
+
old_head = prior.get('canonical_head')
|
| 550 |
+
if not old_head:
|
| 551 |
+
raise SystemExit('review preview has no canonical head for frontmatter comparison')
|
| 552 |
+
old_main = subprocess.check_output(['git', '-C', str(CANON), 'show',
|
| 553 |
+
f'{old_head}:main.tex'], text=True)
|
| 554 |
+
try:
|
| 555 |
+
refreshed = allowed_frontmatter_refresh(old, current, old_main=old_main,
|
| 556 |
+
new_main=(CANON / 'main.tex').read_text())
|
| 557 |
+
except ValueError as exc:
|
| 558 |
+
raise SystemExit(str(exc)) from exc
|
| 559 |
+
originals = copy_source_files()
|
| 560 |
+
changed = overlay(args.require_complete)
|
| 561 |
+
verify_unchanged_frontmatter(originals)
|
| 562 |
+
# Keep the original claims available for review without placing them in Results.
|
| 563 |
+
legacy = STAGE / 'editorial/legacy_results'
|
| 564 |
+
legacy.mkdir(parents=True, exist_ok=True)
|
| 565 |
+
for name in ('results_fig1', 'results_fig2', 'results_fig3', 'results_fig4',
|
| 566 |
+
'results_fig5', 'results_fig6', 'methods_paired', 'methods_eval', 'discussion'):
|
| 567 |
+
src = CANON / 'sections' / f'{name}.tex'
|
| 568 |
+
shutil.copy2(src, legacy / src.name)
|
| 569 |
+
changed.append(str((legacy / src.name).relative_to(STAGE)))
|
| 570 |
+
manifest = {
|
| 571 |
+
'schema': 'pbisc.paper.manuscript-integration.v1',
|
| 572 |
+
'mode': 'complete' if args.require_complete else 'restructuring_preview',
|
| 573 |
+
'canonical_root': str(CANON), 'stage_root': str(STAGE),
|
| 574 |
+
'canonical_head': subprocess.check_output(['git', '-C', str(CANON), 'rev-parse', 'HEAD'], text=True).strip(),
|
| 575 |
+
'canonical_source_sha256': originals,
|
| 576 |
+
'approved_frontmatter_refresh': refreshed,
|
| 577 |
+
'staged_changes': {rel: {'sha256': digest(STAGE / rel),
|
| 578 |
+
'canonical_sha256': originals.get(rel)} for rel in changed},
|
| 579 |
+
'figure_source_sha256': {name: digest(ROOT / 'figures' / name) for name in
|
| 580 |
+
(FIGURES | (FINAL_FIGURES if args.require_complete else {}))},
|
| 581 |
+
'readiness': readiness,
|
| 582 |
+
'gaps': gaps,
|
| 583 |
+
'figure6': 'waiting_user_prepared_data; unchanged placeholder',
|
| 584 |
+
'git_push': False, 'overleaf_sync': False,
|
| 585 |
+
}
|
| 586 |
+
previous.write_text(json.dumps(manifest, indent=2) + '\n')
|
| 587 |
+
print(json.dumps({'mode': manifest['mode'], 'staged_changed_files': len(changed),
|
| 588 |
+
'gaps': gaps, 'manifest': str(previous)}, indent=2))
|
| 589 |
+
|
| 590 |
+
|
| 591 |
+
if __name__ == '__main__':
|
| 592 |
+
main()
|
paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/dataset/server_1/model8/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript_before_final_caption_fix.py
ADDED
|
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|
| 1 |
+
#!/usr/bin/env python3
|
| 2 |
+
"""Stage the PBISC-Diffusion Figure 1--5 manuscript without changing its Git tree.
|
| 3 |
+
|
| 4 |
+
--preview emits an explicitly incomplete review draft. --require-complete refuses
|
| 5 |
+
until every strict unit and its source binding has been verified, then uses the
|
| 6 |
+
same staged file map. No Git, archive or network write is performed here.
|
| 7 |
+
"""
|
| 8 |
+
from __future__ import annotations
|
| 9 |
+
|
| 10 |
+
import argparse
|
| 11 |
+
import csv
|
| 12 |
+
import hashlib
|
| 13 |
+
import json
|
| 14 |
+
import re
|
| 15 |
+
import shutil
|
| 16 |
+
import subprocess
|
| 17 |
+
from collections import defaultdict
|
| 18 |
+
from pathlib import Path
|
| 19 |
+
|
| 20 |
+
ROOT = Path(__file__).resolve().parents[1]
|
| 21 |
+
CANON = Path('/home/sj_server_1/PBISC/paper-release-20260928/manuscript')
|
| 22 |
+
STAGE = ROOT / 'manuscript'
|
| 23 |
+
EDITS = STAGE / 'edits'
|
| 24 |
+
COHORTS = ('ye2026_sepsis', 'imperial_eskd', 'giroux2022', 'ji2025_chili')
|
| 25 |
+
FIGURES = {
|
| 26 |
+
'fig1_overview.pdf': 'fig1_overview.pdf',
|
| 27 |
+
'fig2_ablation_and_support.pdf': 'fig2_ablation_and_support.pdf',
|
| 28 |
+
'fig4_historical_5fold_separate.pdf': 'fig4_historical_5fold_separate.pdf',
|
| 29 |
+
}
|
| 30 |
+
FINAL_FIGURES = {
|
| 31 |
+
'fig3_healthy_strict_oof.pdf': 'fig3_healthy_strict_oof.pdf',
|
| 32 |
+
'fig3_realism_metrics.pdf': 'fig3_realism_metrics.pdf',
|
| 33 |
+
'fig3_canonical_marker_dotplot.pdf': 'fig3_canonical_marker_dotplot.pdf',
|
| 34 |
+
'fig3_umap_by_celltype.pdf': 'fig3_umap_by_celltype.pdf',
|
| 35 |
+
'fig3_composition_fractions.pdf': 'fig3_composition_fractions.pdf',
|
| 36 |
+
'fig3_runtime_components.pdf': 'fig3_runtime_components.pdf',
|
| 37 |
+
'fig4_disease_strict_draws.pdf': 'fig4_disease_strict_draws.pdf',
|
| 38 |
+
'fig4_disease_signal_strict.pdf': 'fig4_disease_signal_strict.pdf',
|
| 39 |
+
'fig4_disease_signal_scatter.pdf': 'fig4_disease_signal_scatter.pdf',
|
| 40 |
+
'fig4_disease_signal_heatmap.pdf': 'fig4_disease_signal_heatmap.pdf',
|
| 41 |
+
'fig4_disease_signal_cat.pdf': 'fig4_disease_signal_cat.pdf',
|
| 42 |
+
'fig4_deconvolution_strict.pdf': 'fig4_deconvolution_strict.pdf',
|
| 43 |
+
'fig4_deconvolution_expression_strict.pdf': 'fig4_deconvolution_expression_strict.pdf',
|
| 44 |
+
'fig5_rare_states_strict.pdf': 'fig5_rare_states_strict.pdf',
|
| 45 |
+
'fig5_rare_visuals_strict.pdf': 'fig5_rare_visuals_strict.pdf',
|
| 46 |
+
'fig5_all_states_strict.pdf': 'fig5_all_states_strict.pdf',
|
| 47 |
+
'fig5_behcet_rules_strict.pdf': 'fig5_behcet_rules_strict.pdf',
|
| 48 |
+
}
|
| 49 |
+
|
| 50 |
+
|
| 51 |
+
def digest(path: Path) -> str:
|
| 52 |
+
h = hashlib.sha256()
|
| 53 |
+
with path.open('rb') as f:
|
| 54 |
+
for chunk in iter(lambda: f.read(1024 * 1024), b''):
|
| 55 |
+
h.update(chunk)
|
| 56 |
+
return h.hexdigest()
|
| 57 |
+
|
| 58 |
+
|
| 59 |
+
def document(path: Path) -> dict:
|
| 60 |
+
return json.loads(path.read_text())
|
| 61 |
+
|
| 62 |
+
|
| 63 |
+
def rows(path: Path) -> list[dict[str, str]]:
|
| 64 |
+
with path.open(newline='') as f:
|
| 65 |
+
return list(csv.DictReader(f))
|
| 66 |
+
|
| 67 |
+
|
| 68 |
+
def tracked_sources() -> list[Path]:
|
| 69 |
+
raw = subprocess.check_output(['git', '-C', str(CANON), 'ls-files', '-z'])
|
| 70 |
+
paths = [Path(p.decode()) for p in raw.split(b'\0') if p]
|
| 71 |
+
wanted = {'.tex', '.bib', '.cls', '.bst'}
|
| 72 |
+
return [p for p in paths if p.suffix in wanted or
|
| 73 |
+
(p.parts[0] == 'figures' and p.suffix.lower() in {'.pdf', '.png'})]
|
| 74 |
+
|
| 75 |
+
|
| 76 |
+
def checked_provenance(path: Path, label: str) -> dict:
|
| 77 |
+
if not path.is_file():
|
| 78 |
+
raise ValueError(f'{label}: missing {path}')
|
| 79 |
+
item = document(path)
|
| 80 |
+
for entry in item.get('sources', []) + item.get('outputs', []):
|
| 81 |
+
source = Path(entry['path'])
|
| 82 |
+
if not source.is_file() or digest(source) != entry['sha256']:
|
| 83 |
+
raise ValueError(f'{label}: source/output hash mismatch: {source}')
|
| 84 |
+
return item
|
| 85 |
+
|
| 86 |
+
|
| 87 |
+
def strict_gate() -> tuple[list[str], dict]:
|
| 88 |
+
gaps = []
|
| 89 |
+
readiness_path = ROOT / 'reports/figures234_readiness.json'
|
| 90 |
+
readiness = document(readiness_path) if readiness_path.is_file() else {}
|
| 91 |
+
if readiness.get('schema') != 'pbisc.paper.figures234.v1' or readiness.get('status') != 'complete':
|
| 92 |
+
gaps.append('Figures 2--4 readiness is not complete')
|
| 93 |
+
f2, f3, f4 = (readiness.get(k, {}) for k in ('figure2', 'figure3', 'figure4'))
|
| 94 |
+
if f2.get('strict_complete_units') != 20 or f2.get('strict_missing') or not f2.get('pretrain_composition_ready'):
|
| 95 |
+
gaps.append('Figure 2 needs 20/20 strict healthy support units')
|
| 96 |
+
if (f3.get('strict_complete_folds') != 5 or not f3.get('visual_export_ready') or
|
| 97 |
+
not f3.get('extras_complete') or not f3.get('runtime_ready')):
|
| 98 |
+
gaps.append('Figure 3 needs 5/5 folds, visual, extras and time receipts')
|
| 99 |
+
if (set(f4.get('strict_complete_draws', {})) != set(COHORTS) or
|
| 100 |
+
any(f4['strict_complete_draws'].get(c) != 5 for c in COHORTS) or
|
| 101 |
+
any(f4.get(k) for k in ('contrast_missing', 'deconvolution_missing',
|
| 102 |
+
'deconvolution_signal_missing'))):
|
| 103 |
+
gaps.append('Figure 4 needs 5/5 strict draws per cohort and contrast/deconvolution evidence')
|
| 104 |
+
expected_healthy = {(f'fold{fold}', n) for fold in range(5) for n in (5, 10, 20, 40)}
|
| 105 |
+
expected_disease = {(c, f'draw{draw}') for c in COHORTS for draw in range(5)}
|
| 106 |
+
curve = rows(ROOT / 'source_data/fig2_strict_curve.csv')
|
| 107 |
+
if {(r['fold'], int(r['n_pairs'])) for r in curve} != expected_healthy:
|
| 108 |
+
gaps.append('Figure 2 strict CSV has incomplete fold/size units')
|
| 109 |
+
healthy = rows(ROOT / 'source_data/fig3_per_sample.csv')
|
| 110 |
+
if {r['fold'] for r in healthy} != {f'fold{n}' for n in range(5)}:
|
| 111 |
+
gaps.append('Figure 3 strict per-sample CSV has incomplete folds')
|
| 112 |
+
disease = rows(ROOT / 'source_data/fig4_strict_per_sample.csv')
|
| 113 |
+
if {(r['cohort'], r['draw']) for r in disease} != expected_disease or any(
|
| 114 |
+
r.get('design') != 'strict_exact5_donor_draw' for r in disease):
|
| 115 |
+
gaps.append('Figure 4 strict CSV has incomplete or mixed-design draws')
|
| 116 |
+
for filename, table in [('fig2_strict_curve.csv', curve), ('fig3_per_sample.csv', healthy),
|
| 117 |
+
('fig4_strict_per_sample.csv', disease)]:
|
| 118 |
+
if not table or any(not r.get('support_sha256') for r in table):
|
| 119 |
+
gaps.append(f'{filename} lacks source-bound support hashes')
|
| 120 |
+
for record in curve + healthy + disease:
|
| 121 |
+
source = record.get('summary')
|
| 122 |
+
source_hash = record.get('summary_sha256')
|
| 123 |
+
if source and source_hash and (not Path(source).is_file() or digest(Path(source)) != source_hash):
|
| 124 |
+
gaps.append(f'score summary hash mismatch: {source}')
|
| 125 |
+
break
|
| 126 |
+
for table, kind in ((curve, 'healthy'), (healthy, 'healthy'), (disease, 'disease')):
|
| 127 |
+
for record in table:
|
| 128 |
+
cohort = record.get('cohort', 'immicro')
|
| 129 |
+
unit = record.get('fold') if kind == 'healthy' else record.get('draw')
|
| 130 |
+
suffix = f'{unit}/n{record["n_pairs"]}' if table is curve else (
|
| 131 |
+
f'{unit}/n5' if kind == 'healthy' else unit)
|
| 132 |
+
support = ROOT / 'protocol/splits' / cohort / kind / suffix / 'support.json'
|
| 133 |
+
if not support.is_file() or document(support).get('sha256') != record.get('support_sha256'):
|
| 134 |
+
gaps.append(f'{cohort}/{kind}/{suffix}: source support mismatch')
|
| 135 |
+
break
|
| 136 |
+
summary = ROOT / 'scores' / cohort / kind / suffix / 'score/summary.json'
|
| 137 |
+
score_sha = record.get('score_sha256') or record.get('summary_sha256')
|
| 138 |
+
if not summary.is_file() or digest(summary) != score_sha:
|
| 139 |
+
gaps.append(f'{cohort}/{kind}/{suffix}: score summary hash mismatch')
|
| 140 |
+
break
|
| 141 |
+
rare_path = ROOT / 'reports/rare_provenance.json'
|
| 142 |
+
rare = document(rare_path) if rare_path.is_file() else {}
|
| 143 |
+
units = rare.get('units', [])
|
| 144 |
+
if (rare.get('schema') != 'pbisc.figure5.analysis.v1' or len(units) != 20 or
|
| 145 |
+
{(u.get('cohort'), u.get('unit')) for u in units} != expected_disease or
|
| 146 |
+
any(u.get('design') != 'strict5pair' or u.get('evidence_tier') != 'strict'
|
| 147 |
+
or not u.get('support_sha256') for u in units)):
|
| 148 |
+
gaps.append('Figure 5 needs all 20 strict rare-state receipts')
|
| 149 |
+
rare_table = rows(ROOT / 'source_data/rare_summary.csv')
|
| 150 |
+
if (not rare_table or {r.get('evidence_tier') for r in rare_table} != {'strict'} or
|
| 151 |
+
{(r['cohort'], r['unit']) for r in rare_table} != expected_disease):
|
| 152 |
+
gaps.append('Figure 5 rare-state CSV is absent, diagnostic or incomplete')
|
| 153 |
+
for cohort, unit in expected_disease:
|
| 154 |
+
subset = [r for r in rare_table if r.get('cohort') == cohort and r.get('unit') == unit]
|
| 155 |
+
if {r.get('arm') for r in subset} != {'raw', 'refcal', 'pairedcal', 'scsemi', 'lora'}:
|
| 156 |
+
gaps.append(f'Figure 5 strict arms incomplete: {cohort}/{unit}')
|
| 157 |
+
break
|
| 158 |
+
for unit in units:
|
| 159 |
+
support = ROOT / 'protocol/splits' / str(unit.get('cohort')) / 'disease' / str(unit.get('unit')) / 'support.json'
|
| 160 |
+
if not support.is_file() or document(support).get('sha256') != unit.get('support_sha256'):
|
| 161 |
+
gaps.append(f'Figure 5 strict support hash mismatch: {unit.get("cohort")}/{unit.get("unit")}')
|
| 162 |
+
break
|
| 163 |
+
if readiness.get('status') == 'complete':
|
| 164 |
+
runtime = ROOT / 'source_data/fig3_runtime.csv'
|
| 165 |
+
runtime_meta = ROOT / 'source_data/fig3_runtime.json'
|
| 166 |
+
visual = ROOT / 'source_data/fig3_visual_data.npz'
|
| 167 |
+
visual_meta = ROOT / 'source_data/fig3_visual_data.json'
|
| 168 |
+
if (not runtime.is_file() or not runtime_meta.is_file() or
|
| 169 |
+
document(runtime_meta).get('csv_sha256') != digest(runtime)):
|
| 170 |
+
gaps.append('Figure 3 runtime source/receipt hash mismatch')
|
| 171 |
+
if (not visual.is_file() or not visual_meta.is_file() or
|
| 172 |
+
document(visual_meta).get('npz_sha256') != digest(visual)):
|
| 173 |
+
gaps.append('Figure 3 visual source/receipt hash mismatch')
|
| 174 |
+
extras = ROOT / 'source_data/fig3_extras.csv'
|
| 175 |
+
if not extras.is_file() or not rows(extras):
|
| 176 |
+
gaps.append('Figure 3 realism extras CSV is missing')
|
| 177 |
+
for name in ('fig4_strict_contrast.csv', 'fig4_deconvolution.csv',
|
| 178 |
+
'fig4_deconvolution_signal.csv', 'fig4_corrected_statistics.csv',
|
| 179 |
+
'fig4_cross_draw_donor_ci.csv', 'fig4_donor_aware_signal.csv',
|
| 180 |
+
'fig4_donor_aware_summary.csv', 'fig4_donor_aware_genes.csv',
|
| 181 |
+
'fig4_donor_aware_cat.csv'):
|
| 182 |
+
path = ROOT / 'source_data' / name
|
| 183 |
+
if not path.is_file() or not rows(path):
|
| 184 |
+
gaps.append(f'Figure 4 required source table missing: {name}')
|
| 185 |
+
cross = ROOT / 'source_data/fig4_cross_draw_donor_ci.csv'
|
| 186 |
+
cross_receipt = ROOT / 'source_data/fig4_cross_draw_donor_ci.json'
|
| 187 |
+
if (not cross_receipt.is_file() or not cross.is_file() or
|
| 188 |
+
document(cross_receipt).get('csv_sha256') != digest(cross) or
|
| 189 |
+
{r.get('cohort') for r in rows(cross)} != set(COHORTS)):
|
| 190 |
+
gaps.append('Figure 4 five-draw donor-cluster CI source or receipt mismatch')
|
| 191 |
+
corrected = ROOT / 'source_data/fig4_donor_aware_signal.csv'
|
| 192 |
+
corrected_provenance = ROOT / 'source_data/fig4_donor_aware_provenance.json'
|
| 193 |
+
corrected_rows = rows(corrected) if corrected.is_file() else []
|
| 194 |
+
if (not corrected_provenance.is_file() or not corrected_rows or
|
| 195 |
+
{(r.get('cohort'), r.get('draw')) for r in corrected_rows} != expected_disease or
|
| 196 |
+
any(r.get('status') not in ('ok', 'not_estimable') for r in corrected_rows)):
|
| 197 |
+
gaps.append('Figure 4 corrected donor-aware disease signal is absent or incomplete')
|
| 198 |
+
for filename in FINAL_FIGURES:
|
| 199 |
+
if not (ROOT / 'figures' / filename).is_file():
|
| 200 |
+
gaps.append(f'missing strict figure: {filename}')
|
| 201 |
+
return gaps, readiness
|
| 202 |
+
|
| 203 |
+
|
| 204 |
+
def numeric_summary(table: list[dict], keys: tuple[str, ...], metrics: tuple[str, ...]) -> str:
|
| 205 |
+
"""Render observed means only; no unsupported ordering or P value."""
|
| 206 |
+
data: dict[tuple[str, ...], dict[str, list[float]]] = defaultdict(lambda: defaultdict(list))
|
| 207 |
+
for row in table:
|
| 208 |
+
group = tuple(row[k] for k in keys)
|
| 209 |
+
for metric in metrics:
|
| 210 |
+
try:
|
| 211 |
+
value = float(row[metric])
|
| 212 |
+
except (KeyError, ValueError, TypeError):
|
| 213 |
+
continue
|
| 214 |
+
if value == value and value not in (float('inf'), float('-inf')):
|
| 215 |
+
data[group][metric].append(value)
|
| 216 |
+
lines = []
|
| 217 |
+
for group, values in sorted(data.items()):
|
| 218 |
+
parts = [f'{key}={value}' for key, value in zip(keys, group)]
|
| 219 |
+
parts += [f'{metric}={sum(items)/len(items):.3f} (n={len(items)})'
|
| 220 |
+
for metric, items in values.items() if items]
|
| 221 |
+
lines.append('; '.join(parts).replace('_', r'\_') + r'\par')
|
| 222 |
+
return '\n'.join(lines)
|
| 223 |
+
|
| 224 |
+
|
| 225 |
+
def complete_results() -> None:
|
| 226 |
+
"""Fill only numbers present in verified strict CSVs; leave no preview placeholders."""
|
| 227 |
+
additions = {
|
| 228 |
+
2: ('source_data/fig2_strict_curve.csv', ('n_pairs', 'arm'), ('precision', 'coverage')),
|
| 229 |
+
3: ('source_data/fig3_per_sample.csv', ('arm',), ('precision', 'coverage', 'comp_l1')),
|
| 230 |
+
4: ('source_data/fig4_strict_per_sample.csv', ('cohort', 'arm'), ('pb_r', 'comp_l1')),
|
| 231 |
+
5: ('source_data/rare_summary.csv', ('cohort', 'arm'), ('mae_donor_pp', 'generated_zero_donors')),
|
| 232 |
+
}
|
| 233 |
+
openers = {
|
| 234 |
+
2: (r'\subsection*{Pretraining design and strict paired-support curve}' '\n'
|
| 235 |
+
'The held-out native-pseudobulk precision and coverage ablations use the '
|
| 236 |
+
'common 1,006-gene rescore described in Methods. Architecture and gene-panel '
|
| 237 |
+
'families have different training detection floors. The nested ImMicro curve '
|
| 238 |
+
'uses five outer folds and $n=5,10,20,40$ distinct training donors per fold. '
|
| 239 |
+
'Historical rank and full-parameter five-fold results are reported separately.\n'),
|
| 240 |
+
3: (r'\subsection*{Healthy generation with exact five-pair support}' '\n'
|
| 241 |
+
'Each ImMicro outer fold uses one matched sample from each of five training '
|
| 242 |
+
'donors for LoRA, paired calibration and scSemiProfiler. The remaining donors '
|
| 243 |
+
'are evaluated on common observed cells, measured genes and frozen labels. '
|
| 244 |
+
'Figure~\\ref{fig:fig3} displays the strict quality measures and operational '
|
| 245 |
+
'time, which excludes population pretraining.\n'),
|
| 246 |
+
4: (r'\subsection*{Disease comparisons with exact five-pair support}' '\n'
|
| 247 |
+
'Each of four disease cohorts contributes five frozen draws. One earliest '
|
| 248 |
+
'identity-passed matched-stratum visit per selected donor trains all arms; '
|
| 249 |
+
'other visits of that donor are excluded. Donor-aware disease contrasts and '
|
| 250 |
+
'deconvolution are scored on the common held-out support. The old five-fold '
|
| 251 |
+
'analysis remains a separate historical sensitivity analysis.\n'),
|
| 252 |
+
5: (r'\subsection*{Rare states with paired support}' '\n'
|
| 253 |
+
'All four disease cohorts and five draws use the exact same five-pair supports '
|
| 254 |
+
'as Figure~\\ref{fig:fig4}. Zero-generated-state draws remain in every '
|
| 255 |
+
'aggregate, required-marker failures make a state ineligible, and repeated '
|
| 256 |
+
'visits are clustered by donor. The unmatched Beh\\c{c}et analysis is '
|
| 257 |
+
'descriptive and separate.\n'),
|
| 258 |
+
}
|
| 259 |
+
for number, (source, keys, metrics) in additions.items():
|
| 260 |
+
path = STAGE / 'sections' / f'results_fig{number}.tex'
|
| 261 |
+
text = openers[number]
|
| 262 |
+
text += ('\n\\textbf{Measured strict-support summary.} Values below are arithmetic means '
|
| 263 |
+
'of the named source-data rows; $n$ counts rows, not independent donors. '
|
| 264 |
+
'Donor-cluster uncertainty and formal comparisons require the separate '
|
| 265 |
+
'statistics receipts.\\par\n')
|
| 266 |
+
text += numeric_summary(rows(ROOT / source), keys, metrics) + '\n'
|
| 267 |
+
if number == 3:
|
| 268 |
+
extras = []
|
| 269 |
+
for record in rows(ROOT / 'source_data/fig3_extras.csv'):
|
| 270 |
+
if record.get('table') == 'metrics.csv' and record.get('mode') == 'raw':
|
| 271 |
+
extras.append({'arm': record.get('set', ''), **record})
|
| 272 |
+
elif (record.get('table') == 'en.csv' and record.get('cellset') == 'pc'
|
| 273 |
+
and record.get('distance') == 'sq'):
|
| 274 |
+
extras.append({'arm': record.get('set', ''), **record})
|
| 275 |
+
text += ('\n\\textbf{Realism and operational time.} C2ST AUC, MMD$^2$ '
|
| 276 |
+
'and $E_N$ are computed from the strict extras; time is fine-tuning '
|
| 277 |
+
'plus inference seconds, with pretraining excluded.\\par\n')
|
| 278 |
+
text += numeric_summary(extras, ('arm',), ('c2st_rf_auc', 'mmd2_sum', 'en')) + '\n'
|
| 279 |
+
text += numeric_summary(rows(ROOT / 'source_data/fig3_runtime.csv'),
|
| 280 |
+
('arm',), ('operational_seconds',)) + '\n'
|
| 281 |
+
if number == 4:
|
| 282 |
+
donor_aware = [r for r in rows(ROOT / 'source_data/fig4_donor_aware_signal.csv')
|
| 283 |
+
if r.get('status') == 'ok']
|
| 284 |
+
text += ('\n\\textbf{Primary donor-aware disease signal.} Equal-patient '
|
| 285 |
+
'condition contrasts, with repeated visits collapsed by donor and '
|
| 286 |
+
'condition, are reported by cohort, arm, cell type and draw. '
|
| 287 |
+
'A missing population is marked not estimable and contributes no '
|
| 288 |
+
'fabricated zero. The values below summarize estimable rows; '
|
| 289 |
+
'patient-cluster intervals are in the accompanying source tables.\\par\n')
|
| 290 |
+
text += numeric_summary(donor_aware, ('cohort', 'arm'),
|
| 291 |
+
('pearson_r', 'partial_r', 'cat50', 'limma_top50')) + '\n'
|
| 292 |
+
contrast = [r for r in rows(ROOT / 'source_data/fig4_strict_contrast.csv')
|
| 293 |
+
if r.get('table') == 'headline.csv']
|
| 294 |
+
text += ('\n\\textbf{Historical contrast sensitivity.} The legacy per-sample '
|
| 295 |
+
'logFC, CAT and limma headline values below retain their original '
|
| 296 |
+
'independent-sample definition. They are separate from corrected '
|
| 297 |
+
'donor-aware disease signal.\\par\n')
|
| 298 |
+
text += numeric_summary(contrast, ('cohort', 'arm'),
|
| 299 |
+
('partial_r', 'cat50', 'limma_top50')) + '\n'
|
| 300 |
+
text += ('\n\\textbf{Cross-draw uncertainty.} Donor-cluster confidence intervals '
|
| 301 |
+
'over all five verified draws, with repeated visits and draw membership '
|
| 302 |
+
'kept together, are supplied in '
|
| 303 |
+
'\\texttt{fig4\\_cross\\_draw\\_donor\\_ci.csv}.\\par\n')
|
| 304 |
+
text += ('\n\\textbf{Same-support deconvolution.} Deconvolution '
|
| 305 |
+
'provides fractions and supported cell-type expression, not '
|
| 306 |
+
'generated-cell realism scores.\\par\n')
|
| 307 |
+
text += numeric_summary(rows(ROOT / 'source_data/fig4_deconvolution.csv'),
|
| 308 |
+
('cohort', 'arm'), ('composition_l1',)) + '\n'
|
| 309 |
+
path.write_text(text)
|
| 310 |
+
path = STAGE / 'sections/discussion.tex'
|
| 311 |
+
path.write_text('\\section*{Discussion}\n'
|
| 312 |
+
'The strict-support numerical summaries in Figs~2--5 report the completed '
|
| 313 |
+
'five-pair design. They should be interpreted with their donor-cluster '
|
| 314 |
+
'uncertainty and source tables; row counts are not biological replicates. '
|
| 315 |
+
'Historical five-fold and unmatched Beh\\c{c}et analyses remain separate. '
|
| 316 |
+
'Figure~\\ref{fig:fig6} awaits the user-prepared bulk-only reproduction data.\n')
|
| 317 |
+
|
| 318 |
+
|
| 319 |
+
def copy_source_files() -> dict[str, str]:
|
| 320 |
+
before = {}
|
| 321 |
+
for rel in tracked_sources():
|
| 322 |
+
src, dst = CANON / rel, STAGE / rel
|
| 323 |
+
if not src.is_file():
|
| 324 |
+
raise ValueError(f'tracked source missing: {src}')
|
| 325 |
+
before[str(rel)] = digest(src)
|
| 326 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 327 |
+
shutil.copy2(src, dst)
|
| 328 |
+
return before
|
| 329 |
+
|
| 330 |
+
|
| 331 |
+
def edit_method_model() -> None:
|
| 332 |
+
path = STAGE / 'sections/methods_model.tex'
|
| 333 |
+
body = path.read_text().split('\\subsection*{SLE benchmark and frozen cell-type annotator}')[0]
|
| 334 |
+
body = body.replace('Fig.~\\ref{fig:fig1}b', 'Fig.~\\ref{fig:fig1}')
|
| 335 |
+
body = body.replace('Fig.~\\ref{fig:fig1}a', 'Fig.~\\ref{fig:fig1}')
|
| 336 |
+
body = body.replace('Fig.~\\ref{fig:fig1}c', 'Fig.~\\ref{fig:fig1}')
|
| 337 |
+
body = body.replace('Fig.~\\ref{fig:fig1}d', 'Fig.~\\ref{fig:fig1}')
|
| 338 |
+
body = body.replace('Fig.~\\ref{fig:fig1}f', 'Fig.~\\ref{fig:fig2}')
|
| 339 |
+
body = re.sub(r'It produced every generated cell set in this study except the threshold-read-out sets.*?Unless stated otherwise',
|
| 340 |
+
'The pretraining design rescoring in Fig.~\\\\ref{fig:fig2} uses saved epoch-16 Bernoulli outputs. Unless stated otherwise',
|
| 341 |
+
body, flags=re.S)
|
| 342 |
+
body += '\n\\subsection*{Held-out pretraining design rescore}\n'
|
| 343 |
+
body += ('Saved architecture and gene-panel outputs for the 42 held-out SLE donors were rescored '
|
| 344 |
+
'separately. On the common 1,006-gene axis, each donor contributed 100 real reference cells, '
|
| 345 |
+
'100 disjoint real query cells and 100 generated cells per arm. One fixed Poisson read-out, '
|
| 346 |
+
'a real-reference 50-component PCA and $k=10$ local neighbourhoods defined precision and '
|
| 347 |
+
'coverage. The architecture and panel families had different training detection floors and '
|
| 348 |
+
'are not a factorial comparison. One saved generation seed per arm makes these descriptive scores.\n')
|
| 349 |
+
path.write_text(body)
|
| 350 |
+
|
| 351 |
+
|
| 352 |
+
def overlay(final: bool) -> list[str]:
|
| 353 |
+
changed = []
|
| 354 |
+
for src in sorted((EDITS / 'sections').glob('*.tex')):
|
| 355 |
+
dst = STAGE / 'sections' / src.name
|
| 356 |
+
shutil.copy2(src, dst)
|
| 357 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 358 |
+
edit_method_model()
|
| 359 |
+
changed.append('sections/methods_model.tex')
|
| 360 |
+
main = STAGE / 'main.tex'
|
| 361 |
+
content = main.read_text()
|
| 362 |
+
content = content.replace('% Overleaf main document.', '% RESTRUCTURING DRAFT: strict Figures 3--5 remain pending.\n% Overleaf main document.', 1)
|
| 363 |
+
content = content.replace('% Figures with their legends, each on its own page(s). Panels are the deck\'s vector graphics, placed as-is;\n% the 180 mm journal layout is still to be drawn.',
|
| 364 |
+
'% Figure 1--5 restructuring draft; strict missing panels are explicitly labelled.')
|
| 365 |
+
if final:
|
| 366 |
+
content = content.replace('% RESTRUCTURING DRAFT: strict Figures 3--5 remain pending.\n', '')
|
| 367 |
+
else:
|
| 368 |
+
content = content.replace('\\maketitle',
|
| 369 |
+
'\\maketitle\n\\noindent\\fcolorbox{red}{white}{\\parbox{0.92\\textwidth}{'
|
| 370 |
+
'\\textbf{RESTRUCTURING DRAFT.} Strict five-pair results for Figs 2--5 '
|
| 371 |
+
'are incomplete. The approved title, abstract and Introduction retain their '
|
| 372 |
+
'original wording and must be rereviewed against final strict results.}}\\par\\medskip', 1)
|
| 373 |
+
main.write_text(content)
|
| 374 |
+
changed.append('main.tex')
|
| 375 |
+
supp = STAGE / 'supplementary.tex'
|
| 376 |
+
supp_text = supp.read_text()
|
| 377 |
+
supp_text = supp_text.replace('\\begin{document}',
|
| 378 |
+
'\\begin{document}\n\\noindent\\textcolor{red}{[HISTORICAL SUPPLEMENTARY DRAFT: '
|
| 379 |
+
'legacy analyses have not been reconciled with exact-five-pair support.]}\\par\\medskip', 1)
|
| 380 |
+
supp.write_text(supp_text)
|
| 381 |
+
changed.append('supplementary.tex')
|
| 382 |
+
figures = dict(FIGURES)
|
| 383 |
+
if final:
|
| 384 |
+
complete_results()
|
| 385 |
+
figures.update(FINAL_FIGURES)
|
| 386 |
+
strict_figures = {
|
| 387 |
+
'fig3': ('Healthy exact five-pair OOF', 'fig3_healthy_strict_oof.pdf'),
|
| 388 |
+
'fig4': ('Disease exact five-pair draws', 'fig4_disease_strict_draws.pdf'),
|
| 389 |
+
'fig5': ('Paired rare states under exact five-pair support', 'fig5_rare_states_strict.pdf'),
|
| 390 |
+
}
|
| 391 |
+
for name, (title, filename) in strict_figures.items():
|
| 392 |
+
p = STAGE / 'sections' / f'{name}.tex'
|
| 393 |
+
panels = f'\\figpanelh{{}}{{figures/strict_20261012/{filename}}}{{0.77}}\n'
|
| 394 |
+
if name == 'fig3':
|
| 395 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig3_realism_metrics.pdf}{0.38}\n')
|
| 396 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig3_canonical_marker_dotplot.pdf}{0.42}\n')
|
| 397 |
+
for extra in ('umap_by_celltype','composition_fractions','runtime_components'):
|
| 398 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig3_{extra}.pdf}}{{0.62}}\n'
|
| 399 |
+
if name == 'fig4':
|
| 400 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig4_disease_signal_strict.pdf}{0.48}\n'
|
| 401 |
+
'\\figpanelh{}{figures/strict_20261012/fig4_deconvolution_strict.pdf}{0.42}\n'
|
| 402 |
+
'\\figpanelh{}{figures/strict_20261012/fig4_deconvolution_expression_strict.pdf}{0.48}\n')
|
| 403 |
+
panels += ('\\figpanelh{}{figures/strict_20261012/fig4_historical_5fold_separate.pdf}{0.38}\n')
|
| 404 |
+
for extra in ('scatter','heatmap','cat'):
|
| 405 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig4_disease_signal_{extra}.pdf}}{{0.60}}\n'
|
| 406 |
+
if name == 'fig5':
|
| 407 |
+
for extra in ('rare_visuals','all_states','behcet_rules'):
|
| 408 |
+
panels += f'\\figpanelh{{}}{{figures/strict_20261012/fig5_{extra}_strict.pdf}}{{0.72}}\n'
|
| 409 |
+
p.write_text(f'\\mainfigure{{fig:{name}}}{{{title}}}\n' + panels +
|
| 410 |
+
'\\figlegend{Strict-support results and source-data tables are '
|
| 411 |
+
'reported in the corresponding Results section. Figure 4 historical '
|
| 412 |
+
'five-fold values appear in a separate labelled panel.}\n')
|
| 413 |
+
for source, target in figures.items():
|
| 414 |
+
src = ROOT / 'figures' / source
|
| 415 |
+
if not src.is_file():
|
| 416 |
+
raise ValueError(f'missing figure: {src}')
|
| 417 |
+
dst = STAGE / 'figures/strict_20261012' / target
|
| 418 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 419 |
+
shutil.copy2(src, dst)
|
| 420 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 421 |
+
evidence = ('source_data/fig1_corpus_aggregates.json',
|
| 422 |
+
'source_data/ablation_pretrain_pc.csv',
|
| 423 |
+
'source_data/ablation_pretrain_pc_receipt.json',
|
| 424 |
+
'source_data/fig2_historical_rank_full.csv',
|
| 425 |
+
'source_data/fig4_historical_5fold.csv',
|
| 426 |
+
'reports/figure1_provenance.json',
|
| 427 |
+
'reports/figures234_readiness.json',
|
| 428 |
+
'reports/rare_provenance.json')
|
| 429 |
+
if final:
|
| 430 |
+
evidence += ('source_data/fig2_strict_curve.csv',
|
| 431 |
+
'source_data/fig3_per_sample.csv',
|
| 432 |
+
'source_data/fig3_extras.csv',
|
| 433 |
+
'source_data/fig3_runtime.csv',
|
| 434 |
+
'source_data/fig3_runtime.json',
|
| 435 |
+
'source_data/fig3_visual_data.json',
|
| 436 |
+
'source_data/fig4_strict_per_sample.csv',
|
| 437 |
+
'source_data/fig4_corrected_statistics.csv',
|
| 438 |
+
'source_data/fig4_cross_draw_donor_ci.csv',
|
| 439 |
+
'source_data/fig4_cross_draw_donor_ci.json',
|
| 440 |
+
'source_data/fig4_donor_aware_signal.csv',
|
| 441 |
+
'source_data/fig4_donor_aware_summary.csv',
|
| 442 |
+
'source_data/fig4_donor_aware_genes.csv',
|
| 443 |
+
'source_data/fig4_donor_aware_cat.csv',
|
| 444 |
+
'source_data/fig4_donor_aware_provenance.json',
|
| 445 |
+
'source_data/fig4_strict_contrast.csv',
|
| 446 |
+
'source_data/fig4_deconvolution.csv',
|
| 447 |
+
'source_data/fig4_deconvolution_signal.csv',
|
| 448 |
+
'source_data/rare_summary.csv',
|
| 449 |
+
'source_data/rare_ineligible_states.csv',
|
| 450 |
+
'source_data/rare_behcet_descriptive.csv')
|
| 451 |
+
for rel in evidence:
|
| 452 |
+
src = ROOT / rel
|
| 453 |
+
if not src.is_file():
|
| 454 |
+
raise ValueError(f'missing source data: {src}')
|
| 455 |
+
dst = STAGE / 'strict_20261012' / rel
|
| 456 |
+
dst.parent.mkdir(parents=True, exist_ok=True)
|
| 457 |
+
shutil.copy2(src, dst)
|
| 458 |
+
changed.append(str(dst.relative_to(STAGE)))
|
| 459 |
+
changed.extend(['sections/fig1.tex', 'sections/fig2.tex', 'sections/fig3.tex',
|
| 460 |
+
'sections/fig4.tex', 'sections/fig5.tex'])
|
| 461 |
+
return sorted(set(changed))
|
| 462 |
+
|
| 463 |
+
|
| 464 |
+
def verify_unchanged_frontmatter(original: dict[str, str]) -> None:
|
| 465 |
+
for name in ('sections/abstract.tex', 'sections/introduction.tex', 'authors.tex'):
|
| 466 |
+
if digest(STAGE / name) != original[name]:
|
| 467 |
+
raise ValueError(f'user-approved frontmatter changed: {name}')
|
| 468 |
+
canonical_main = (CANON / 'main.tex').read_text()
|
| 469 |
+
staged_main = (STAGE / 'main.tex').read_text()
|
| 470 |
+
for pattern in (r'\\title\{[^\n]+', r'\\abstract\{[^\n]+'):
|
| 471 |
+
if re.search(pattern, canonical_main).group() != re.search(pattern, staged_main).group():
|
| 472 |
+
raise ValueError(f'user-approved title or abstract command changed: {pattern}')
|
| 473 |
+
|
| 474 |
+
|
| 475 |
+
def allowed_frontmatter_refresh(previous: dict[str, str], current: dict[str, str],
|
| 476 |
+
*, old_main: str | None = None, new_main: str | None = None) -> dict:
|
| 477 |
+
"""Permit only new approved Title, Abstract and Introduction source text."""
|
| 478 |
+
changed = {name: {'previous_sha256': old, 'current_sha256': current.get(name)}
|
| 479 |
+
for name, old in previous.items() if current.get(name) != old}
|
| 480 |
+
allowed = {'main.tex', 'sections/abstract.tex', 'sections/introduction.tex'}
|
| 481 |
+
extra = set(changed) - allowed
|
| 482 |
+
if extra:
|
| 483 |
+
raise ValueError(f'canonical source changed outside approved frontmatter: {sorted(extra)}')
|
| 484 |
+
if 'main.tex' in changed:
|
| 485 |
+
if old_main is None or new_main is None:
|
| 486 |
+
raise ValueError('main.tex changed beyond approved title/abstract commands')
|
| 487 |
+
pattern = r'\\(?:title|abstract)\{[^\n]*\}'
|
| 488 |
+
if re.sub(pattern, r'\\frontmatter{APPROVED}', old_main) != re.sub(
|
| 489 |
+
pattern, r'\\frontmatter{APPROVED}', new_main):
|
| 490 |
+
raise ValueError('main.tex changed beyond approved title/abstract commands')
|
| 491 |
+
return changed
|
| 492 |
+
|
| 493 |
+
|
| 494 |
+
def main() -> None:
|
| 495 |
+
p = argparse.ArgumentParser(description=__doc__)
|
| 496 |
+
mode = p.add_mutually_exclusive_group(required=True)
|
| 497 |
+
mode.add_argument('--preview', action='store_true')
|
| 498 |
+
mode.add_argument('--require-complete', action='store_true')
|
| 499 |
+
args = p.parse_args()
|
| 500 |
+
if subprocess.check_output(['git', '-C', str(CANON), 'status', '--porcelain']).strip():
|
| 501 |
+
raise SystemExit('canonical manuscript is not clean; refusing to assemble')
|
| 502 |
+
checked_provenance(ROOT / 'reports/figure1_provenance.json', 'Figure 1')
|
| 503 |
+
pretrain = checked_provenance(ROOT / 'source_data/ablation_pretrain_pc_receipt.json', 'Figure 2 P/C')
|
| 504 |
+
recipe = pretrain.get('recipe', {})
|
| 505 |
+
if (pretrain.get('schema') != 'pbisc.fig2.pretrain_pc.v1' or
|
| 506 |
+
recipe.get('n_pcs') != 50 or recipe.get('local_k') != 10 or
|
| 507 |
+
pretrain.get('gene_axis', {}).get('n') != 1006 or
|
| 508 |
+
{r['family'] for r in rows(ROOT / 'source_data/ablation_pretrain_pc.csv')} !=
|
| 509 |
+
{'architecture_floor1pct', 'panel_floor0.1pct'}):
|
| 510 |
+
raise SystemExit('Figure 2 measured P/C receipt or source table differs from the frozen rescore')
|
| 511 |
+
gaps, readiness = strict_gate()
|
| 512 |
+
if args.require_complete and gaps:
|
| 513 |
+
raise SystemExit('final assembly refused:\n- ' + '\n- '.join(sorted(set(gaps))))
|
| 514 |
+
previous = STAGE / 'integration_manifest.json'
|
| 515 |
+
refreshed = {}
|
| 516 |
+
if previous.is_file() and args.require_complete:
|
| 517 |
+
prior = document(previous)
|
| 518 |
+
old = prior.get('canonical_source_sha256', {})
|
| 519 |
+
current = {rel: digest(CANON / rel) if (CANON / rel).is_file() else None for rel in old}
|
| 520 |
+
old_main = None
|
| 521 |
+
if current.get('main.tex') != old.get('main.tex'):
|
| 522 |
+
old_head = prior.get('canonical_head')
|
| 523 |
+
if not old_head:
|
| 524 |
+
raise SystemExit('review preview has no canonical head for frontmatter comparison')
|
| 525 |
+
old_main = subprocess.check_output(['git', '-C', str(CANON), 'show',
|
| 526 |
+
f'{old_head}:main.tex'], text=True)
|
| 527 |
+
try:
|
| 528 |
+
refreshed = allowed_frontmatter_refresh(old, current, old_main=old_main,
|
| 529 |
+
new_main=(CANON / 'main.tex').read_text())
|
| 530 |
+
except ValueError as exc:
|
| 531 |
+
raise SystemExit(str(exc)) from exc
|
| 532 |
+
originals = copy_source_files()
|
| 533 |
+
changed = overlay(args.require_complete)
|
| 534 |
+
verify_unchanged_frontmatter(originals)
|
| 535 |
+
# Keep the original claims available for review without placing them in Results.
|
| 536 |
+
legacy = STAGE / 'editorial/legacy_results'
|
| 537 |
+
legacy.mkdir(parents=True, exist_ok=True)
|
| 538 |
+
for name in ('results_fig1', 'results_fig2', 'results_fig3', 'results_fig4',
|
| 539 |
+
'results_fig5', 'results_fig6', 'methods_paired', 'methods_eval', 'discussion'):
|
| 540 |
+
src = CANON / 'sections' / f'{name}.tex'
|
| 541 |
+
shutil.copy2(src, legacy / src.name)
|
| 542 |
+
changed.append(str((legacy / src.name).relative_to(STAGE)))
|
| 543 |
+
manifest = {
|
| 544 |
+
'schema': 'pbisc.paper.manuscript-integration.v1',
|
| 545 |
+
'mode': 'complete' if args.require_complete else 'restructuring_preview',
|
| 546 |
+
'canonical_root': str(CANON), 'stage_root': str(STAGE),
|
| 547 |
+
'canonical_head': subprocess.check_output(['git', '-C', str(CANON), 'rev-parse', 'HEAD'], text=True).strip(),
|
| 548 |
+
'canonical_source_sha256': originals,
|
| 549 |
+
'approved_frontmatter_refresh': refreshed,
|
| 550 |
+
'staged_changes': {rel: {'sha256': digest(STAGE / rel),
|
| 551 |
+
'canonical_sha256': originals.get(rel)} for rel in changed},
|
| 552 |
+
'figure_source_sha256': {name: digest(ROOT / 'figures' / name) for name in
|
| 553 |
+
(FIGURES | (FINAL_FIGURES if args.require_complete else {}))},
|
| 554 |
+
'readiness': readiness,
|
| 555 |
+
'gaps': gaps,
|
| 556 |
+
'figure6': 'waiting_user_prepared_data; unchanged placeholder',
|
| 557 |
+
'git_push': False, 'overleaf_sync': False,
|
| 558 |
+
}
|
| 559 |
+
previous.write_text(json.dumps(manifest, indent=2) + '\n')
|
| 560 |
+
print(json.dumps({'mode': manifest['mode'], 'staged_changed_files': len(changed),
|
| 561 |
+
'gaps': gaps, 'manifest': str(previous)}, indent=2))
|
| 562 |
+
|
| 563 |
+
|
| 564 |
+
if __name__ == '__main__':
|
| 565 |
+
main()
|
paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/metadata/inference_locations.json
ADDED
|
@@ -0,0 +1,5 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"locations": [],
|
| 3 |
+
"project_id": "pbisc-diffusion",
|
| 4 |
+
"update_id": "20261012T131501Z-strictpairs-final-caption"
|
| 5 |
+
}
|
paper-releases/pbisc-diffusion/updates/20261012T131501Z-strictpairs-final-caption/diffusion/metadata/request.json
ADDED
|
@@ -0,0 +1,19 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"assets": [
|
| 3 |
+
{
|
| 4 |
+
"host": "server_1",
|
| 5 |
+
"kind": "code",
|
| 6 |
+
"source": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript.py",
|
| 7 |
+
"state": "intermediate"
|
| 8 |
+
},
|
| 9 |
+
{
|
| 10 |
+
"host": "server_1",
|
| 11 |
+
"kind": "code",
|
| 12 |
+
"source": "/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/paper_figures_strictpairs_20261012/archive/20261012T131501Z-strictpairs-final-caption/assemble_manuscript_before_final_caption_fix.py",
|
| 13 |
+
"state": "stopped"
|
| 14 |
+
}
|
| 15 |
+
],
|
| 16 |
+
"inference_locations": [],
|
| 17 |
+
"project_id": "pbisc-diffusion",
|
| 18 |
+
"summary": "Final-gated Figure 2 caption fix: remove pending language only after strict completion; include same-readout composition and all comparator budgets, retain original logFC/DEG panels with explicit historical epoch/readout/seed differences. Current review deck/manuscript remain previews. Ten focused checks and syntax compilation passed. No new scientific experiment, GitHub push or Overleaf sync."
|
| 19 |
+
}
|