Archive 4 checkpoints (1-4)
Browse files- paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/build_celltypes_palette_master_20261013.py +150 -0
- paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/expand_pair_budget_celltypes_20261013.py +244 -0
- paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/verify_celltypes_palette_master_20261013.py +108 -0
- paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/metadata/request.json +1879 -0
paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/build_celltypes_palette_master_20261013.py
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| 1 |
+
"""Integrate all-cell-type pair budgets and the approved method palette."""
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| 2 |
+
from pathlib import Path
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| 3 |
+
from collections import defaultdict
|
| 4 |
+
from datetime import datetime, timezone
|
| 5 |
+
import copy
|
| 6 |
+
import csv
|
| 7 |
+
import hashlib
|
| 8 |
+
import json
|
| 9 |
+
import os
|
| 10 |
+
import re
|
| 11 |
+
import sys
|
| 12 |
+
if os.environ.get('CUDA_VISIBLE_DEVICES')!='':
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| 13 |
+
raise SystemExit('CPU-only deck build requires empty CUDA_VISIBLE_DEVICES')
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| 14 |
+
D=Path(__file__).resolve().parents[1]
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| 15 |
+
A=D/'data/celltypes_palette_master_20261013'
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| 16 |
+
PARENT=D/'data/figure_enrichment_20261013/spec.json'
|
| 17 |
+
PALETTE_SPEC=D/'PBISC-Diffusion_color_palette_20261013.md'
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| 18 |
+
PALETTE_RESULT=D/'data/final_palette_20261013/result.json'
|
| 19 |
+
CELL_RESULT=D/'data/pair_budget_celltypes_20261013/result.json'
|
| 20 |
+
OUT='PBISC-Diffusion_expanded_master_20261013_celltypes_palette'
|
| 21 |
+
sys.path.insert(0,str(D));sys.path.insert(0,str(D/'tools'))
|
| 22 |
+
import generate_deck as G
|
| 23 |
+
from reorder_master_figures_20261013 import draw_card,draw_note
|
| 24 |
+
from pptx import Presentation
|
| 25 |
+
from pptx.util import Inches
|
| 26 |
+
|
| 27 |
+
|
| 28 |
+
def sha(path):
|
| 29 |
+
with Path(path).open('rb') as f:return hashlib.file_digest(f,'sha256').hexdigest()
|
| 30 |
+
|
| 31 |
+
|
| 32 |
+
def rel(path):
|
| 33 |
+
p=Path(path)
|
| 34 |
+
if p.is_absolute():
|
| 35 |
+
try:return str(p.relative_to(D))
|
| 36 |
+
except ValueError:return str(p)
|
| 37 |
+
return str(p)
|
| 38 |
+
|
| 39 |
+
|
| 40 |
+
def new_slide(record,kind):
|
| 41 |
+
s=copy.deepcopy(record)
|
| 42 |
+
s.update(deck_group='Figure 3',section='Figure 3',section_label='Fig. 3d' if kind=='correlation' else 'Fig. 3d detail',
|
| 43 |
+
kind='content',layout='full',addition_key='all_celltypes:'+kind)
|
| 44 |
+
s['figures']=[rel(p) for p in s['figures']]
|
| 45 |
+
s.setdefault('keywords',[])
|
| 46 |
+
if isinstance(s.get('sources'),list):
|
| 47 |
+
s['source_bindings']=s['sources']
|
| 48 |
+
s['sources']='; '.join(x['path'] if isinstance(x,dict) else x for x in s['sources'])
|
| 49 |
+
return s
|
| 50 |
+
|
| 51 |
+
|
| 52 |
+
def main():
|
| 53 |
+
A.mkdir(parents=True,exist_ok=True)
|
| 54 |
+
parent=json.loads(PARENT.read_text())['slides']
|
| 55 |
+
cells=json.loads(CELL_RESULT.read_text())
|
| 56 |
+
palette=json.loads(PALETTE_RESULT.read_text())
|
| 57 |
+
mapping=palette['mapping']
|
| 58 |
+
# Require a complete explicit mapping, including assets whose biological
|
| 59 |
+
# colours remain unchanged; an absent rule must not silently pass through.
|
| 60 |
+
original_assets={str((D/f).resolve()) for s in parent for f in s.get('figures',[])}
|
| 61 |
+
assert original_assets <= set(mapping),sorted(original_assets-set(mapping))
|
| 62 |
+
old_manifest=json.loads((PARENT.parent/'manifest.json').read_text())
|
| 63 |
+
for asset in original_assets:
|
| 64 |
+
assert sha(asset)==old_manifest['sources'][asset]['sha256'],('Parent scientific asset changed',asset)
|
| 65 |
+
slides=[];held=None
|
| 66 |
+
for n,s0 in enumerate(parent,1):
|
| 67 |
+
s=copy.deepcopy(s0);s['parent_enriched_page']=n
|
| 68 |
+
s['figures_before_final_palette']=s.get('figures',[])
|
| 69 |
+
if s.get('figures'):
|
| 70 |
+
s['figures']=[rel(mapping[str((D/f).resolve())]) for f in s['figures']]
|
| 71 |
+
s['method_palette']='PBISC-Diffusion_color_palette_20261013.md'
|
| 72 |
+
if n==31:
|
| 73 |
+
held=s
|
| 74 |
+
held.update(deck_group='Supp S06',section='Supp S06',section_label='Supp. S06',
|
| 75 |
+
title='Pair-budget summary: composition, coverage and steps')
|
| 76 |
+
held['footnote']='Historical n training + 7 validation. All six cell types are shown in the main pair-budget panels; this is the original summary.'
|
| 77 |
+
held['footnote_full']=held['footnote']+'\n'+held.get('footnote_full','')
|
| 78 |
+
held['keywords']=[];held.pop('say',None);held.pop('refs',None)
|
| 79 |
+
slides.extend([new_slide(cells['slides'][0],'correlation'),new_slide(cells['slides'][1],'mae')])
|
| 80 |
+
continue
|
| 81 |
+
if s['deck_group']=='Supp S06' and held is not None:
|
| 82 |
+
slides.append(held);held=None
|
| 83 |
+
slides.append(s)
|
| 84 |
+
assert held is None
|
| 85 |
+
assert len(slides)==142
|
| 86 |
+
assert sorted(s['parent_enriched_page'] for s in slides if 'parent_enriched_page' in s)==list(range(1,141))
|
| 87 |
+
assert sorted(s['original_slide'] for s in slides if 'original_slide' in s)==list(range(1,77))
|
| 88 |
+
page_map={s['parent_enriched_page']:i for i,s in enumerate(slides,1) if 'parent_enriched_page' in s}
|
| 89 |
+
oldid={s['source_page_131']:s for s in slides if s.get('source_page_131')}
|
| 90 |
+
groups=defaultdict(list)
|
| 91 |
+
for i,s in enumerate(slides,1):groups[s['deck_group']].append(i)
|
| 92 |
+
# Existing plan cards refer to enriched-parent page numbers. Relocate only
|
| 93 |
+
# explicit page-location cells, never numerical results or panel IDs.
|
| 94 |
+
for s in slides:
|
| 95 |
+
if s.get('kind')=='plan_card':
|
| 96 |
+
newrows=[]
|
| 97 |
+
for head,body,location in s['rows']:
|
| 98 |
+
if re.match(r'^pp?\.',location):
|
| 99 |
+
location=re.sub(r'\d+',lambda m:str(page_map[int(m.group())]),location)
|
| 100 |
+
newrows.append((head,body,location))
|
| 101 |
+
s['rows']=newrows
|
| 102 |
+
plan=oldid[53]
|
| 103 |
+
plan['rows']=[(a,'All six cell types: donor correlation and fraction error','pp. 31, 32') if a=='3d' else (a,b,c)
|
| 104 |
+
for a,b,c in plan['rows']]
|
| 105 |
+
plan['footnote']='All performance panels use healthy measured pairs. Pair-budget curves use n training + 7 validation; genuine total-five results are separate.'
|
| 106 |
+
plan['footnote_full']=plan['footnote']
|
| 107 |
+
oldid[1]['subtitle']='142 slides | All-cell-type pair budgets | Approved blue / mint / yellow method palette'
|
| 108 |
+
# A compact style note does not change biological/cohort category encodings.
|
| 109 |
+
oldid[3]['rows'][-1]=('Figure 3: all cell types','T, B, Monocyte, NK, DC and Other are compared using both donor correlation and absolute fraction error.')
|
| 110 |
+
oldid[3]['footnote']='Method palette: PBISC blue, scSemiProfiler mint, external comparators yellow. Biological category and quantitative colour scales retain their meaning.'
|
| 111 |
+
oldid[3]['footnote_full']=oldid[3]['footnote']
|
| 112 |
+
supp=oldid[109]
|
| 113 |
+
for i,(a,b,c) in enumerate(supp['rows']):
|
| 114 |
+
if a=='S03-S06':supp['rows'][i]=(a,b,f'pp. {min(groups["Supp S03"])}-{max(groups["Supp S06"])}')
|
| 115 |
+
prs=Presentation();prs.slide_width=Inches(G.SLIDE_W);prs.slide_height=Inches(G.SLIDE_H)
|
| 116 |
+
funcs={'title':G.build_title,'agenda':G.build_agenda,'divider':G.build_divider,'content':G.build_content,
|
| 117 |
+
'plan_card':draw_card,'evidence_note':draw_note}
|
| 118 |
+
for i,s in enumerate(slides,1):
|
| 119 |
+
fn=funcs[s['kind']]
|
| 120 |
+
fn(prs,s) if s['kind']=='title' else fn(prs,s,i)
|
| 121 |
+
prs.save(D/(OUT+'.pptx'))
|
| 122 |
+
spec={'deck':{'output_pptx':OUT+'.pptx','output_pdf':OUT+'.pdf'},'slides':slides}
|
| 123 |
+
(A/'spec.json').write_text(json.dumps(spec,indent=2)+'\n')
|
| 124 |
+
rows=[{'current_page':i,'parent_140_page':s.get('parent_enriched_page',''),
|
| 125 |
+
'original_131_page':s.get('source_page_131',''),'original_76_page':s.get('original_slide',''),
|
| 126 |
+
'group':s['deck_group'],'panel':s.get('section_label',''),'title':s['title']} for i,s in enumerate(slides,1)]
|
| 127 |
+
with (A/'page_map.csv').open('w',encoding='utf-8-sig',newline='') as f:
|
| 128 |
+
w=csv.DictWriter(f,fieldnames=list(rows[0]));w.writeheader();w.writerows(rows)
|
| 129 |
+
inputs={str(p):{'sha256':sha(p)} for p in [PARENT,PALETTE_SPEC,PALETTE_RESULT,CELL_RESULT,
|
| 130 |
+
Path(__file__),D/'generate_deck.py',D/'tools/reorder_master_figures_20261013.py']}
|
| 131 |
+
for s in slides:
|
| 132 |
+
for f in s.get('figures',[]):inputs[str(D/f)]={'sha256':sha(D/f)}
|
| 133 |
+
for binding in cells['sources']:
|
| 134 |
+
p=Path(binding['path']);assert sha(p)==binding['sha256'];inputs[str(p)]={'sha256':sha(p)}
|
| 135 |
+
protected={str(p):sha(p) for p in [D/'PBISC-Diffusion_expanded_master_20261013_enriched.pptx',
|
| 136 |
+
D/'PBISC-Diffusion_expanded_master_20261013_enriched.pdf',PARENT]}
|
| 137 |
+
protected.update({p:sha(p) for p in original_assets})
|
| 138 |
+
manifest={'schema':'pbisc.celltypes-palette-master.v1','created_at':datetime.now(timezone.utc).isoformat(),
|
| 139 |
+
'parent_spec':str(PARENT),'slides':slides,'groups':dict(groups),'total_slides':142,'parent_pages':140,
|
| 140 |
+
'sources':inputs,'protected_sources':protected,'palette_spec':str(PALETTE_SPEC),
|
| 141 |
+
'palette_spec_sha256':sha(PALETTE_SPEC),'palette_result':str(PALETTE_RESULT),
|
| 142 |
+
'new_training':False,'new_inference':False,'celltype_summary_rows':cells['summary_rows'],
|
| 143 |
+
'celltype_donor_rows':cells['long_rows'],'new_statistics':'Descriptive per-celltype correlations and absolute errors from saved donor fractions.',
|
| 144 |
+
'output':{'pptx':{'path':str(D/(OUT+'.pptx')),'sha256':sha(D/(OUT+'.pptx'))}}}
|
| 145 |
+
(A/'manifest.json').write_text(json.dumps(manifest,indent=2)+'\n')
|
| 146 |
+
print(json.dumps({'pages':142,'celltype_pages':[31,32],'historical_summary_page':page_map[31],
|
| 147 |
+
'palette_assets':len(original_assets),'groups':dict(groups)}))
|
| 148 |
+
|
| 149 |
+
|
| 150 |
+
if __name__=='__main__':main()
|
paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/expand_pair_budget_celltypes_20261013.py
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|
| 1 |
+
"""Expand the historical healthy pair-budget plot to every saved cell type.
|
| 2 |
+
|
| 3 |
+
CPU-only aggregation of existing per-donor CSVs. No generated arrays, checkpoints,
|
| 4 |
+
model execution, or fitting are loaded. This is the historical five-fold n+7
|
| 5 |
+
validation design, not the separate strict-five-pair experiment.
|
| 6 |
+
"""
|
| 7 |
+
from __future__ import annotations
|
| 8 |
+
|
| 9 |
+
import hashlib
|
| 10 |
+
import json
|
| 11 |
+
import math
|
| 12 |
+
import os
|
| 13 |
+
from pathlib import Path
|
| 14 |
+
|
| 15 |
+
os.environ["CUDA_VISIBLE_DEVICES"] = ""
|
| 16 |
+
|
| 17 |
+
import numpy as np
|
| 18 |
+
import pandas as pd
|
| 19 |
+
import style as ST
|
| 20 |
+
import matplotlib.pyplot as plt
|
| 21 |
+
from matplotlib.lines import Line2D
|
| 22 |
+
from matplotlib.ticker import MaxNLocator
|
| 23 |
+
|
| 24 |
+
D = Path(__file__).resolve().parents[1]
|
| 25 |
+
P = D.parents[1] / "plans/paired_finetune_intradataset_20260927"
|
| 26 |
+
DATA = D / "data/pair_budget_celltypes_20261013"
|
| 27 |
+
FIG = D / "figures/pair_budget_celltypes_20261013"
|
| 28 |
+
TYPES = ["T cell", "B cell", "Monocyte", "NK cell", "DC", "Other"]
|
| 29 |
+
BUDGETS = ["0", "5", "10", "20", "40", "all"]
|
| 30 |
+
COLORS = {"raw": "#C3E2F4", "calibration": "#59A8DF", "lora": "#168FE5"}
|
| 31 |
+
BASE = P / "scores/immicro/pooled"
|
| 32 |
+
CAL = P / "scores/immicro/cal_budget_20261001/pooled"
|
| 33 |
+
|
| 34 |
+
|
| 35 |
+
def sha(path: Path) -> str:
|
| 36 |
+
h = hashlib.sha256()
|
| 37 |
+
with path.open("rb") as handle:
|
| 38 |
+
for block in iter(lambda: handle.read(1 << 20), b""):
|
| 39 |
+
h.update(block)
|
| 40 |
+
return h.hexdigest()
|
| 41 |
+
|
| 42 |
+
|
| 43 |
+
def pearson(x: np.ndarray, y: np.ndarray) -> tuple[float, str]:
|
| 44 |
+
"""Do not discard donors or represent an undefined coefficient as zero."""
|
| 45 |
+
if not np.isfinite(x).all() or not np.isfinite(y).all():
|
| 46 |
+
return float("nan"), "undefined: nonfinite fraction"
|
| 47 |
+
if len(x) < 2 or np.ptp(x) == 0 or np.ptp(y) == 0:
|
| 48 |
+
return float("nan"), "undefined: zero variance or fewer than two donors"
|
| 49 |
+
return float(np.corrcoef(x, y)[0, 1]), "defined"
|
| 50 |
+
|
| 51 |
+
|
| 52 |
+
def build() -> dict:
|
| 53 |
+
DATA.mkdir(parents=True, exist_ok=True)
|
| 54 |
+
FIG.mkdir(parents=True, exist_ok=True)
|
| 55 |
+
bindings: dict[str, dict] = {}
|
| 56 |
+
|
| 57 |
+
def source(path: Path, role: str) -> Path:
|
| 58 |
+
path = path.resolve()
|
| 59 |
+
bindings[str(path)] = dict(path=str(path), role=role, sha256=sha(path), bytes=path.stat().st_size)
|
| 60 |
+
return path
|
| 61 |
+
|
| 62 |
+
def read_json(path: Path, role: str) -> dict:
|
| 63 |
+
return json.loads(source(path, role).read_text())
|
| 64 |
+
|
| 65 |
+
source(Path(__file__), "reproducible CPU-only plotting and metric definitions")
|
| 66 |
+
source(D / "tools/style.py", "Arial slide dimensions and typography; method palette overridden locally")
|
| 67 |
+
palette = source(D / "PBISC-Diffusion_color_palette_20261013.md", "approved 2026-10-13 method palette")
|
| 68 |
+
for color in COLORS.values():
|
| 69 |
+
assert color in palette.read_text(), ("Approved palette changed", color)
|
| 70 |
+
source(D / "tools/fig23_healthy.py", "original fig2_healthy_pairs method and scope definition")
|
| 71 |
+
source(D / "tools/sec08_pairs_needed.py", "original pooled Pearson definition")
|
| 72 |
+
source(P / "tools/prepare_cal_budget.py", "same-support calibration construction")
|
| 73 |
+
old_signal = pd.read_csv(source(D / "data/sec08_pairs_signal.csv", "original NK values for reproduction check"))
|
| 74 |
+
summaries = {root: read_json(root / "summary.json", "saved scoring metadata and recorded generation receipts")
|
| 75 |
+
for root in [BASE, CAL]}
|
| 76 |
+
tables = {root: pd.read_csv(source(root / "per_donor.csv", "saved observed and generated donor fractions"))
|
| 77 |
+
for root in [BASE, CAL]}
|
| 78 |
+
prep = read_json(P / "data/immicro/PREPARE.json", "historical five-fold support and held-out counts")
|
| 79 |
+
cal_budget = read_json(P / "data/immicro/CAL_BUDGET.json", "recorded calibration fit donor IDs")
|
| 80 |
+
folds = pd.read_csv(source(P / "data/immicro/folds.csv", "donor-to-test-fold assignment"))
|
| 81 |
+
assert summaries[BASE]["n_donors"] == summaries[CAL]["n_donors"] == 107
|
| 82 |
+
assert summaries[BASE]["reference"]["reference_sha256"] == summaries[CAL]["reference"]["reference_sha256"]
|
| 83 |
+
donors = set(summaries[BASE]["donors"])
|
| 84 |
+
assert len(donors) == 107 and donors == set(summaries[CAL]["donors"])
|
| 85 |
+
fold_map = dict(zip(folds.sample_id, folds.fold.astype(int)))
|
| 86 |
+
assert set(fold_map) == donors and len(fold_map) == len(folds) == 107
|
| 87 |
+
support = []
|
| 88 |
+
for fold in range(5):
|
| 89 |
+
test_ids = {d for d, f in fold_map.items() if f == fold}
|
| 90 |
+
assert len(test_ids) == prep["fold_sizes"][str(fold)]["test"]
|
| 91 |
+
for budget in BUDGETS[1:]:
|
| 92 |
+
name = "real_lora" if budget == "all" else f"lora_n{budget}"
|
| 93 |
+
run = read_json(P / f"runs/immicro/fold{fold}/{name}/RUN.json", "historical LoRA training/validation support")
|
| 94 |
+
train, val = set(run["train_rows"]), set(run["inner_val_rows"])
|
| 95 |
+
assert run["mode"] == "lora" and len(val) == 7 and train.isdisjoint(val)
|
| 96 |
+
assert (train | val).isdisjoint(test_ids) and (train | val) <= donors
|
| 97 |
+
assert len(train) == (prep["fold_sizes"][str(fold)]["train"] if budget == "all" else int(budget))
|
| 98 |
+
if budget != "all":
|
| 99 |
+
c = cal_budget["folds"][str(fold)]["n"][budget]
|
| 100 |
+
assert set(c["fit_sample_ids"]) == train | val
|
| 101 |
+
assert c["n_fit_rows"] == len(train) + len(val)
|
| 102 |
+
assert c["n_train_rows"] == len(train) and c["n_inner_val_rows"] == len(val)
|
| 103 |
+
else:
|
| 104 |
+
assert train | val | test_ids == donors
|
| 105 |
+
support.append(dict(fold=fold, budget=budget, n_train=len(train), n_validation=len(val),
|
| 106 |
+
n_total_paired_access=len(train | val), n_test=len(test_ids)))
|
| 107 |
+
|
| 108 |
+
configs = [(BASE, "zs__raw", "raw", "0")]
|
| 109 |
+
configs += [(BASE, "real_lora__raw" if b == "all" else f"lora_n{b}__raw", "lora", b) for b in BUDGETS[1:]]
|
| 110 |
+
configs += [(BASE if b == "all" else CAL, "zs__cal" if b == "all" else f"zs__cal_n{b}", "calibration", b)
|
| 111 |
+
for b in BUDGETS[1:]]
|
| 112 |
+
observed = tables[BASE].query("arm == 'zs__raw'").set_index("donor").sort_index()
|
| 113 |
+
long_rows, summary_rows, generation_bindings = [], [], []
|
| 114 |
+
for root, arm, method, budget in configs:
|
| 115 |
+
meta = summaries[root]["per_arm"][arm]
|
| 116 |
+
assert meta["receipt_verified"] is True and meta["n_donors"] == 107
|
| 117 |
+
q = tables[root].loc[tables[root].arm == arm].set_index("donor").sort_index()
|
| 118 |
+
assert len(q) == 107 and q.index.is_unique and set(q.index) == donors
|
| 119 |
+
for prefix in ["gen_", "obs_"]:
|
| 120 |
+
fractions = q[[prefix + ct for ct in TYPES]].to_numpy(float)
|
| 121 |
+
assert np.isfinite(fractions).all() and ((fractions >= 0) & (fractions <= 1)).all()
|
| 122 |
+
assert np.allclose(fractions.sum(axis=1), 1, atol=1e-12, rtol=0)
|
| 123 |
+
assert np.allclose(q.comp_l1.mean(), summaries[root]["headline"][arm]["comp_l1"], atol=1e-9, rtol=0)
|
| 124 |
+
generation_bindings.append(dict(arm=arm, saved_summary=str(root / "summary.json"),
|
| 125 |
+
receipt_verified_by_saved_scoring=meta["receipt_verified"],
|
| 126 |
+
generation_npz=meta["npz"], recorded_generation_sha256=meta["npz_sha256"]))
|
| 127 |
+
for ct in TYPES:
|
| 128 |
+
x, y = q[f"gen_{ct}"].to_numpy(float), q[f"obs_{ct}"].to_numpy(float)
|
| 129 |
+
assert np.array_equal(y, observed[f"obs_{ct}"].to_numpy(float)), (arm, ct, "reference mismatch")
|
| 130 |
+
correlation, status = pearson(x, y)
|
| 131 |
+
error = np.abs(x - y) * 100
|
| 132 |
+
summary_rows.append(dict(method=method, arm=arm, budget=budget, x_position=BUDGETS.index(budget),
|
| 133 |
+
cell_type=ct, n_donors=len(q), pearson_r=correlation, pearson_status=status,
|
| 134 |
+
mae_percentage_points=float(error.mean()), source=str(root / "per_donor.csv")))
|
| 135 |
+
for donor, a, b, e in zip(q.index, x, y, error):
|
| 136 |
+
long_rows.append(dict(method=method, arm=arm, budget=budget, donor=donor, fold=fold_map[donor],
|
| 137 |
+
cell_type=ct, observed_fraction=b, generated_fraction=a,
|
| 138 |
+
absolute_error_percentage_points=e, source=str(root / "per_donor.csv")))
|
| 139 |
+
summary, long = pd.DataFrame(summary_rows), pd.DataFrame(long_rows)
|
| 140 |
+
assert len(summary) == 66 and len(long) == 7062
|
| 141 |
+
gaps = []
|
| 142 |
+
for _, row in summary.loc[summary.cell_type == "NK cell"].iterrows():
|
| 143 |
+
series = {"raw": "zero_shot", "calibration": "zs_cal_budget", "lora": "lora"}[row.method]
|
| 144 |
+
saved = old_signal.loc[(old_signal.dataset == "immicro") & (old_signal.panel == "nk_fraction_r") &
|
| 145 |
+
(old_signal.series == series) & (old_signal.pairs == row.budget), "value"]
|
| 146 |
+
assert len(saved) == 1
|
| 147 |
+
gaps.append(abs(row.pearson_r - float(saved.iloc[0])))
|
| 148 |
+
assert max(gaps) < 1e-12
|
| 149 |
+
summary.to_csv(DATA / "summary.csv", index=False)
|
| 150 |
+
long.to_csv(DATA / "donor_fractions_long.csv", index=False)
|
| 151 |
+
pd.DataFrame(support).to_csv(DATA / "support_by_fold.csv", index=False)
|
| 152 |
+
|
| 153 |
+
asset_paths = []
|
| 154 |
+
metric_config = [("pearson_r", "fraction_correlation", "Observed vs generated fraction: Pearson r",
|
| 155 |
+
"Healthy pair budget: correlation in all cell types"),
|
| 156 |
+
("mae_percentage_points", "fraction_mae", "Mean absolute fraction error (percentage points)",
|
| 157 |
+
"Healthy pair budget: error in all cell types")]
|
| 158 |
+
slides = []
|
| 159 |
+
for metric, stem, ylabel, title in metric_config:
|
| 160 |
+
fig, axes = plt.subplots(2, 3, figsize=ST.FULL)
|
| 161 |
+
fig.subplots_adjust(left=0.075, right=0.985, bottom=0.19, top=0.84, hspace=0.50, wspace=0.28)
|
| 162 |
+
for ax, ct in zip(axes.flat, TYPES):
|
| 163 |
+
ax.axvspan(0.78, 1.22, color="#F1F4F7", zorder=0)
|
| 164 |
+
for method in ["raw", "calibration", "lora"]:
|
| 165 |
+
q = summary.loc[(summary.cell_type == ct) & (summary.method == method)].sort_values("x_position")
|
| 166 |
+
common = dict(color=COLORS[method], zorder=4 if method == "lora" else 3)
|
| 167 |
+
if method == "raw":
|
| 168 |
+
ax.plot(q.x_position, q[metric], marker="D", ms=6.8, mec="#4D4D4D", mew=0.8, ls="none", **common)
|
| 169 |
+
elif method == "calibration":
|
| 170 |
+
ax.plot(q.x_position, q[metric], marker="s", ms=6.1, mfc="white", mec=COLORS[method], mew=1.7,
|
| 171 |
+
ls=(0, (4, 2)), lw=1.8, **common)
|
| 172 |
+
else:
|
| 173 |
+
ax.plot(q.x_position, q[metric], marker="o", ms=6.2, mec="#23516F", mew=0.5, lw=2.3, **common)
|
| 174 |
+
missing = q.loc[q[metric].isna()]
|
| 175 |
+
for _, row in missing.iterrows():
|
| 176 |
+
ax.text(row.x_position, 0.03, "NA", transform=ax.get_xaxis_transform(), ha="center", fontsize=10)
|
| 177 |
+
ax.set_title(ct, loc="left", fontsize=14, pad=5)
|
| 178 |
+
ax.set_xlim(-0.3, 5.3)
|
| 179 |
+
ax.set_xticks(range(6), BUDGETS, fontsize=11.5)
|
| 180 |
+
ax.tick_params(axis="y", labelsize=11.5)
|
| 181 |
+
ax.set_axisbelow(True)
|
| 182 |
+
ax.grid(axis="y", color="#E4E4E4", lw=0.7)
|
| 183 |
+
if metric == "pearson_r":
|
| 184 |
+
finite = summary[metric].dropna()
|
| 185 |
+
lo = min(0.0, math.floor(float(finite.min()) * 10 - 1) / 10) if len(finite) else -1
|
| 186 |
+
ax.set_ylim(max(-1, lo), 1)
|
| 187 |
+
ax.set_yticks([v for v in [-1, -.75, -.5, -.25, 0, .25, .5, .75, 1] if v >= max(-1, lo)])
|
| 188 |
+
else:
|
| 189 |
+
maximum = float(summary.loc[summary.cell_type == ct, metric].max())
|
| 190 |
+
ax.set_ylim(0, maximum * 1.12)
|
| 191 |
+
ax.yaxis.set_major_locator(MaxNLocator(4, min_n_ticks=3))
|
| 192 |
+
handles = [Line2D([], [], marker="D", ls="none", color=COLORS["raw"], mec="#4D4D4D", ms=7),
|
| 193 |
+
Line2D([], [], marker="s", ls=(0, (4, 2)), color=COLORS["calibration"], mfc="white", mew=1.5, lw=1.8),
|
| 194 |
+
Line2D([], [], marker="o", color=COLORS["lora"], mec="#23516F", mew=.5, lw=2.3)]
|
| 195 |
+
fig.legend(handles, ["Zero-shot, raw bulk", "Zero-shot + calibration", "PBISC LoRA"],
|
| 196 |
+
ncol=3, loc="upper center", bbox_to_anchor=(.52, 1.025), fontsize=12, columnspacing=2)
|
| 197 |
+
context = "107 donors · pooled predictions from 5-fold CV"
|
| 198 |
+
if metric != "pearson_r":
|
| 199 |
+
context += " · y-axis range varies by cell type"
|
| 200 |
+
fig.text(.53, .906, context, ha="center", fontsize=11.5, color="#4D4D4D")
|
| 201 |
+
fig.text(.012, .52, ylabel, va="center", rotation=90, fontsize=13)
|
| 202 |
+
fig.text(.53, .085, "Training pairs per fold (all = 78–79); each nonzero point also uses 7 validation pairs",
|
| 203 |
+
ha="center", fontsize=11.5)
|
| 204 |
+
fig.text(.53, .024, "Calibration fits the same n + 7 pairs; raw zero-shot uses none. Shading marks n = 5.",
|
| 205 |
+
ha="center", fontsize=11, color="#4D4D4D")
|
| 206 |
+
for ext in ["png", "pdf", "svg"]:
|
| 207 |
+
target = FIG / f"{stem}.{ext}"
|
| 208 |
+
fig.savefig(target, dpi=300, bbox_inches="tight", pad_inches=.04)
|
| 209 |
+
asset_paths.append(str(target))
|
| 210 |
+
plt.close(fig)
|
| 211 |
+
caveat = ("Historical ImMicro healthy five-fold CV: 107 unique donors, one held-out prediction per donor per arm. "
|
| 212 |
+
"All six saved cell types are included, with the identical observed fractions and scoring reference across arms. "
|
| 213 |
+
"The x-axis is training pairs: 0=raw zero-shot with no pairs; 5/10/20/40/all LoRA training pairs plus 7 "
|
| 214 |
+
"inner-validation pairs per fold for early stopping. All means 78–79 training pairs. Calibration fits alpha "
|
| 215 |
+
"on exactly the same training plus validation pairs, including at all. This is not the strict five-total-pair "
|
| 216 |
+
"experiment. Correlation is Pearson between generated and observed donor fractions over pooled 107 donors, "
|
| 217 |
+
"not an average of fold correlations. MAE is mean(abs(generated_fraction-observed_fraction))*100 in percentage "
|
| 218 |
+
"points, with equal donor weights. No statistical significance or universal improvement is claimed. "
|
| 219 |
+
"Missing correlation remains NA; no undefined value is replaced by zero. No donor/type/arm selection by outcome, "
|
| 220 |
+
"no new generation, and no scSemiProfiler arm added to the original fig2_healthy_pairs comparison. "
|
| 221 |
+
"MAE panels have explicitly labelled per-celltype axis ranges; correlation axes are shared.")
|
| 222 |
+
slides.append(dict(kind="content", key=f"pair_budget_{stem}", role=f"f3_pair_budget_{stem}",
|
| 223 |
+
title=title, section_label="Fig. 3 · Pair budget", layout="full", keywords=[],
|
| 224 |
+
figures=[str((FIG / f"{stem}.png").relative_to(D))], palette="native",
|
| 225 |
+
after_original=31, replaces_figure="fig2_healthy_pairs",
|
| 226 |
+
footnote="107 donors, pooled 5-fold CV. Training n + 7 validation pairs; calibration uses the same n + 7. All = 78–79 training pairs.",
|
| 227 |
+
footnote_full=caveat, notes=caveat,
|
| 228 |
+
sources="; ".join(str(p / "per_donor.csv") for p in [BASE, CAL])))
|
| 229 |
+
asset_paths += [str(DATA / n) for n in ["summary.csv", "donor_fractions_long.csv", "support_by_fold.csv"]]
|
| 230 |
+
result = dict(schema="pbisc.pair_budget_celltypes.v1", slides=slides, assets=asset_paths,
|
| 231 |
+
sources=list(bindings.values()), n_donors=107, n_cell_types=6, n_arm_budget_settings=11,
|
| 232 |
+
long_rows=len(long), summary_rows=len(summary), nk_reproduction_max_abs_gap=max(gaps),
|
| 233 |
+
undefined_correlations=summary.loc[summary.pearson_status != "defined"].replace({np.nan: None}).to_dict("records"),
|
| 234 |
+
palette=COLORS, generation_bindings=generation_bindings,
|
| 235 |
+
proof_scope="Saved score-table/metadata consistency and input file hashes; generated arrays/checkpoints are not re-read or re-hashed.")
|
| 236 |
+
for entry in bindings.values():
|
| 237 |
+
assert sha(Path(entry["path"])) == entry["sha256"], ("Source changed during build", entry["path"])
|
| 238 |
+
(DATA / "result.json").write_text(json.dumps(result, indent=2, ensure_ascii=False, allow_nan=False) + "\n")
|
| 239 |
+
return result
|
| 240 |
+
|
| 241 |
+
|
| 242 |
+
if __name__ == "__main__":
|
| 243 |
+
result = build()
|
| 244 |
+
print(json.dumps({k: result[k] for k in ["n_donors", "n_cell_types", "long_rows", "summary_rows", "nk_reproduction_max_abs_gap"]}))
|
paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/verify_celltypes_palette_master_20261013.py
ADDED
|
@@ -0,0 +1,108 @@
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
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|
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|
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|
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|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""Check all-cell-type data, palette mapping and the final presentation."""
|
| 2 |
+
from pathlib import Path
|
| 3 |
+
from datetime import datetime,timezone
|
| 4 |
+
import hashlib
|
| 5 |
+
import json
|
| 6 |
+
import sys
|
| 7 |
+
import fitz
|
| 8 |
+
import numpy as np
|
| 9 |
+
import pandas as pd
|
| 10 |
+
from pptx import Presentation
|
| 11 |
+
D=Path(__file__).resolve().parents[1]
|
| 12 |
+
A=D/'data/celltypes_palette_master_20261013';Q=A/'qa'
|
| 13 |
+
sys.path.insert(0,str(D/'tools'))
|
| 14 |
+
import verify_expanded_master_20261013 as H
|
| 15 |
+
H.QA=Q
|
| 16 |
+
|
| 17 |
+
|
| 18 |
+
def sha(path):
|
| 19 |
+
with Path(path).open('rb') as f:return hashlib.file_digest(f,'sha256').hexdigest()
|
| 20 |
+
|
| 21 |
+
|
| 22 |
+
def main():
|
| 23 |
+
Q.mkdir(exist_ok=True)
|
| 24 |
+
spec=json.loads((A/'spec.json').read_text());m=json.loads((A/'manifest.json').read_text())
|
| 25 |
+
records=spec['slides'];pptx=D/spec['deck']['output_pptx'];pdfpath=D/spec['deck']['output_pdf']
|
| 26 |
+
prs=Presentation(pptx);pdf=fitz.open(pdfpath);fail=[]
|
| 27 |
+
counts={'spec':len(records),'pptx':len(prs.slides),'pdf':len(pdf)}
|
| 28 |
+
if set(counts.values())!={142}:fail.append(['page_counts',counts])
|
| 29 |
+
if sorted(s['parent_enriched_page'] for s in records if 'parent_enriched_page' in s)!=list(range(1,141)):
|
| 30 |
+
fail.append(['parent140_coverage'])
|
| 31 |
+
if sorted(s['original_slide'] for s in records if 'original_slide' in s)!=list(range(1,77)):
|
| 32 |
+
fail.append(['original76_coverage'])
|
| 33 |
+
if records[30].get('addition_key')!='all_celltypes:correlation' or records[31].get('addition_key')!='all_celltypes:mae':
|
| 34 |
+
fail.append(['celltype_placement'])
|
| 35 |
+
if records[83].get('parent_enriched_page')!=31 or records[83]['deck_group']!='Supp S06':
|
| 36 |
+
fail.append(['historical_summary_preserved'])
|
| 37 |
+
for path,binding in m['sources'].items():
|
| 38 |
+
if sha(path)!=binding['sha256']:fail.append(['source_hash',path])
|
| 39 |
+
for path,digest in m['protected_sources'].items():
|
| 40 |
+
if sha(path)!=digest:fail.append(['parent_source_changed',path])
|
| 41 |
+
C=D/'data/pair_budget_celltypes_20261013'
|
| 42 |
+
values=pd.read_csv(C/'donor_fractions_long.csv',dtype={'budget':str,'donor':str})
|
| 43 |
+
summary=pd.read_csv(C/'summary.csv',dtype={'budget':str})
|
| 44 |
+
types={'T cell','B cell','Monocyte','NK cell','DC','Other'}
|
| 45 |
+
if set(values.cell_type)!=types or len(values)!=7062 or len(summary)!=66:fail.append(['celltype_coverage'])
|
| 46 |
+
deviations=[]
|
| 47 |
+
for row in summary.itertuples():
|
| 48 |
+
v=values[(values.arm==row.arm)&(values.cell_type==row.cell_type)]
|
| 49 |
+
if len(v)!=107 or v.donor.nunique()!=107:fail.append(['donor_units',row.arm,row.cell_type])
|
| 50 |
+
r=float(np.corrcoef(v.observed_fraction,v.generated_fraction)[0,1])
|
| 51 |
+
mae=float(np.abs(v.observed_fraction-v.generated_fraction).mean()*100)
|
| 52 |
+
deviations.append(max(abs(r-row.pearson_r),abs(mae-row.mae_percentage_points)))
|
| 53 |
+
if max(deviations)>1e-10:fail.append(['summary_reproduction',max(deviations)])
|
| 54 |
+
palette=json.loads(Path(m['palette_result']).read_text())
|
| 55 |
+
if palette['unresolved'] or not palette['coverage']['preservation_pass'] or not palette['originals_unchanged']:
|
| 56 |
+
fail.append(['palette_preservation'])
|
| 57 |
+
if palette['decision']['sha256']!=sha(Path(m['palette_spec'])):
|
| 58 |
+
fail.append(['approved_palette_revision'])
|
| 59 |
+
for record in palette['records']:
|
| 60 |
+
if not record['preservation_pass'] or sha(record['output'])!=record['output_sha256']:
|
| 61 |
+
fail.append(['palette_output_proof',record['original']])
|
| 62 |
+
if sha(record['original'])!=record['source_png_sha256']:
|
| 63 |
+
fail.append(['palette_original_preservation',record['original']])
|
| 64 |
+
original=json.loads(Path(m['parent_spec']).read_text())['slides']
|
| 65 |
+
required={str((D/p).resolve()) for s in original for p in s.get('figures',[])}
|
| 66 |
+
if not required<=set(palette['mapping']):fail.append(['palette_coverage'])
|
| 67 |
+
mapped_checks=[]
|
| 68 |
+
for s in records:
|
| 69 |
+
if 'parent_enriched_page' not in s:continue
|
| 70 |
+
p=original[s['parent_enriched_page']-1]
|
| 71 |
+
expected=[str(Path(palette['mapping'][str((D/f).resolve())]).resolve()) for f in p.get('figures',[])]
|
| 72 |
+
actual=[str((D/f).resolve()) for f in s.get('figures',[])]
|
| 73 |
+
if expected!=actual:fail.append(['palette_embed_mapping',s['parent_enriched_page']])
|
| 74 |
+
mapped_checks.append(s['parent_enriched_page'])
|
| 75 |
+
images=[];fonts=set()
|
| 76 |
+
for n,(slide,s) in enumerate(zip(prs.slides,records),1):
|
| 77 |
+
images.append(H._image_proofs(slide,s,n,fail))
|
| 78 |
+
for shape in slide.shapes:
|
| 79 |
+
if shape.left < -2 or shape.top < -2 or shape.left+shape.width > prs.slide_width+2 or shape.top+shape.height > prs.slide_height+2:
|
| 80 |
+
fail.append(['shape_bounds',n,shape.name])
|
| 81 |
+
for tf in H._text_frames(shape):
|
| 82 |
+
for paragraph in tf.paragraphs:
|
| 83 |
+
for run in paragraph.runs:fonts.update(H._font_names(run,paragraph))
|
| 84 |
+
if fonts!={'Arial'}:fail.append(['font',sorted(fonts)])
|
| 85 |
+
for n,page in enumerate(pdf,1):
|
| 86 |
+
for block in page.get_text('dict')['blocks']:
|
| 87 |
+
for line in block.get('lines',[]):
|
| 88 |
+
for span in line.get('spans',[]):
|
| 89 |
+
x0,y0,x1,y1=span['bbox']
|
| 90 |
+
if x0<-.75 or y0<-.75 or x1>page.rect.width+.75 or y1>page.rect.height+.75:
|
| 91 |
+
fail.append(['pdf_text_bounds',n,span['text']])
|
| 92 |
+
renders=H._render(pdf,records)
|
| 93 |
+
m['output']['pdf']={'path':str(pdfpath),'sha256':sha(pdfpath)}
|
| 94 |
+
(A/'manifest.json').write_text(json.dumps(m,indent=2)+'\n')
|
| 95 |
+
report={'schema':'pbisc.celltypes-palette-master.qa.v1','checked_at':datetime.now(timezone.utc).isoformat(),
|
| 96 |
+
'status':'automated_pass_visual_pending' if not fail else 'failed','automated_checks_pass':not fail,
|
| 97 |
+
'failures':fail,'counts':counts,'celltype_summary_max_abs_difference':max(deviations),
|
| 98 |
+
'cell_types':sorted(types),'celltype_pages':[31,32],'all_original140_pages_retained':True,
|
| 99 |
+
'palette_assets_mapped':len(required),'palette_result':m['palette_result'],'palette_spec_sha256':m['palette_spec_sha256'],
|
| 100 |
+
'groups':m['groups'],'image_checks':images,'renders':renders,'fonts':sorted(fonts),
|
| 101 |
+
'artifacts':{'pptx':{'path':str(pptx),'sha256':sha(pptx)},'pdf':{'path':str(pdfpath),'sha256':sha(pdfpath)}},
|
| 102 |
+
'visual_review':{'status':'pending'}}
|
| 103 |
+
(Q/'VERIFICATION.json').write_text(json.dumps(report,indent=2)+'\n')
|
| 104 |
+
print(json.dumps({'pass':not fail,'counts':counts,'failures':fail,'celltype_max_abs_error':max(deviations)}))
|
| 105 |
+
if fail:raise SystemExit(1)
|
| 106 |
+
|
| 107 |
+
|
| 108 |
+
if __name__=='__main__':main()
|
paper-releases/pbisc-diffusion/updates/20261013T094815Z-all-celltypes-final-palette-142/diffusion/metadata/request.json
ADDED
|
@@ -0,0 +1,1879 @@
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