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paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec08_pairs_needed.py ADDED
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1
+ """Section 8 of the 2026-09-30 paper-summary deck: how many bulk-sc pairs LoRA needs (learning curve).
2
+
3
+ CPU only. Reads the pooled 5-fold scoring calls of the paired fine-tune plan and the per-fold RUN.json files,
4
+ then draws two slide figures:
5
+ figures/sec08_pairs_realism.{png,pdf} FULL: composition L1, coverage, selected step x (ImMicro, sepsis)
6
+ figures/sec08_pairs_signal.{png,pdf} TALL: ImMicro NK fraction r, sepsis logFC r, sepsis top-50 DEG
7
+ Every plotted/quoted number is read from a score file here and written with its source to data/sec08_*.csv.
8
+ Model: final f01 6k 1x epoch-16 checkpoint + LoRA (checked against every RUN.json).
9
+ x axis: "0" = no LoRA training. Two zero-shot points sit there, side by side: the pretrained model fed the real bulk
10
+ as measured (score arm zs__raw; uses no pair) and fed gene-wise calibrated bulk (zs__cal). Calibration (back as a
11
+ comparator, user decision 2026-10-01): alpha_g = mean CPM(pseudobulk_g) / mean CPM(bulk_g) over ALL paired training
12
+ donors of the fold (train + inner-val; tools/prepare_dataset.py `fit = fold != f`), applied as bulk CPM x alpha, then
13
+ renormalised. So zs__cal is not pair-free: its alpha uses the same 85-86 / 65-66 donors that LoRA "all" trains and
14
+ early-stops on. LoRA n = training pairs, and every LoRA run also early-stops on 7-8 paired inner-val donors
15
+ (RUN.json inner_val_rows). The LoRA arms are conditioned on the real bulk (*__raw) and share one real-bulk broadcast.
16
+ Cap-limited = ran to max_steps before the patience window closed; its late inner-val loss drop is read from
17
+ history.json.
18
+ When a zero-shot point lies far outside every other value of a panel (BREAK_RATIO), that panel gets a y-axis
19
+ break with a short segment at the same data scale, instead of squeezing the LoRA curve.
20
+
21
+ Equal-budget calibration (optional, drawn only if present): zero-shot + calibration with alpha fitted on exactly the
22
+ pairs a lora_n{5,10,20,40} run saw (n training + its inner-val pairs), per fold. The scores folder is scanned for
23
+ summary.json files (scores/<dataset>/**/summary.json, outside arms/) whose arm names match CAL_N_RE (contain "cal"
24
+ and an n<digits> token) and carry no fine-tune tag (FT_TAGS). An arm is drawn only from a scoring call over the
25
+ same donors as the pooled call (same reference cells, so metrics are comparable). If found, it is drawn as a second
26
+ line across n, ending at "all" with zs__cal (alpha from the same pairs LoRA "all" saw). If none is found, only the
27
+ two x = 0 points are drawn and a note is printed.
28
+
29
+ scSemiProfiler line (optional, drawn only if present; added 2026-10-02): scSemiProfiler trained with n pairs as
30
+ representatives (arms scsemi_n{5,10,20,40}__raw in scores/<dataset>/scsemi_budget_20261002/pooled*/) and with all
31
+ training pairs ("all" = arm scsemi__raw of the 5-fold CV run in scores/<dataset>/scsemi_cv_20261002/pooled*/), looked up
32
+ by tools/scsemi_results.py and drawn only for calls over the same donors and reference cells as the pooled call. If
33
+ nothing is found, a note is printed and the figures are unchanged. DECK_FIGDIR / DECK_OUTDATA redirect the outputs and
34
+ DECK_SCSEMI_PLAN_ROOT the scSemiProfiler lookup (synthetic presence test).
35
+ """
36
+ import os
37
+ import json
38
+ import re
39
+ import sys
40
+ from pathlib import Path
41
+
42
+ import numpy as np
43
+ import pandas as pd
44
+ from scipy.stats import wilcoxon
45
+
46
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
47
+ "2026-09-30--paper-summary--r00")
48
+ sys.path.insert(0, str(DECK / "tools"))
49
+ import style # noqa: E402
50
+ import scsemi_results as SR # noqa: E402
51
+ import fold_sizes as FZ # noqa: E402 (2026-10-02: the "all" point is labelled with its training-pair count)
52
+ import matplotlib.pyplot as plt # noqa: E402
53
+ from matplotlib.lines import Line2D # noqa: E402
54
+
55
+ PLAN = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/"
56
+ "paired_finetune_intradataset_20260927")
57
+ FINAL_CKPT = ("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/runs/"
58
+ "f01_6k_1x_seed20260627/checkpoint_epoch_016.pt")
59
+ FIGDIR = Path(os.environ.get("DECK_FIGDIR", str(DECK / "figures")))
60
+ DATADIR = Path(os.environ.get("DECK_OUTDATA", str(DECK / "data")))
61
+ FIGDIR.mkdir(exist_ok=True)
62
+ DATADIR.mkdir(exist_ok=True)
63
+
64
+ DSETS = ["immicro", "ye2026_sepsis"]
65
+ DS_LABEL = {"immicro": "ImMicro", "ye2026_sepsis": "Sepsis"}
66
+ LC_N = [5, 10, 20, 40]
67
+ LORA_ARMS = [f"lora_n{n}__raw" for n in LC_N] + ["real_lora__raw"]
68
+ RUN_ARMS = [f"lora_n{n}" for n in LC_N] + ["real_lora"]
69
+ ZS = "zs__raw" # zero-shot on the real bulk as measured: 0 pairs
70
+ ZS_CAL = "zs__cal" # zero-shot + calibration, alpha from all fold pairs (train + inner-val)
71
+ # 2026-10-02 (user): x = 0 must use no paired data. The second x = 0 point is now the zero-shot model fed the real bulk
72
+ # after exon-length correction (no pairs); zs__cal (alpha from every training pair of the fold) is only drawn where it
73
+ # belongs, as the right end of the equal-budget calibration line (same pairs as the rightmost LoRA point).
74
+ ZS_LEN = "zs__len" # zero-shot, exon-length-corrected real bulk (tools/build_tpm_zeroshot.py)
75
+ LEN_SUB = "zeroshot_tpm_20261002/pooled" # its scoring call (same donors and reference cells as scores/<ds>/pooled)
76
+ X_LAB = ["0", "5", "10", "20", "40", "all"]
77
+ KEY_LAB = ["zero_shot", "5", "10", "20", "40", "all"] # the same points, as keys in sec08_slide_numbers.csv
78
+ X_POS = [0.0, 1.3, 2.3, 3.3, 4.3, 5.55] # small gap after the zero-shot points; extra room for the "78–79" tick
79
+ DX0 = 0.2 # raw zero-shot left of x = 0, calibrated right of it
80
+ X_RAW, X_CAL = X_POS[0] - DX0, X_POS[0] + DX0 # X_CAL: position of the second zero-shot point
81
+ XLIM = (-0.5, X_POS[-1] + 0.5) # same x range as the selected-step panel
82
+ COL_RAW, COL_CAL = style.ARM["zs_raw"], style.ARM["zs_cal"] # archived pair: pale = raw, #0072B2 = calibrated
83
+ RAW_EDGE = "#5E8FB5" # edge of the pale raw marker (same as sec05 RAW_EDGE)
84
+ COL_LEN = style.ARM["tpm"] # zero-shot, length-corrected bulk (sand)
85
+ # equal-budget calibration arms: "cal" and an n<digits> token, and no fine-tune tag
86
+ CAL_N_RE = re.compile(r"(?:^|[^a-z0-9])n(\d+)(?![0-9])", re.I)
87
+ FT_TAGS = ("lora", "real", "pseudo", "full", "condenc", "multik", "recipe")
88
+ BREAK_RATIO = 1.5 # y-axis break when the zero-shot point sits > 1.5 spans of the other values beyond them
89
+ CELLTYPES = ["T cell", "B cell", "Monocyte", "NK cell"]
90
+ DEG_TYPES = ["T cell", "B cell", "Monocyte", "NK cell", "DC"]
91
+ RAW_ARMS = LORA_ARMS + ["zs__raw", "real_full__raw", "pseudo_full__raw"] # all conditioned on raw real bulk
92
+
93
+ REF = { # reference-line styles; pseudo/broadcast copied from sec09 REFSTYLE so the deck is consistent
94
+ "pseudo": dict(ls=(0, (4, 2)), color=style.ARM["pseudo"], lw=1.6, label="Zero-shot from sc pseudobulk"),
95
+ "broadcast": dict(ls=(0, (1, 1.2)), color=style.ARM["broadcast"], lw=2.4, label="Real-bulk broadcast"),
96
+ "null": dict(ls=(0, (6, 2, 1.5, 2)), color=style.GREY, lw=1.4, label="Cohort-mean null"),
97
+ }
98
+ LEG_ZS = "Zero-shot, real bulk as measured (no pairs)"
99
+ LEG_LEN = "Zero-shot, exon-length-corrected bulk (no pairs)"
100
+ LEG_CAL_N = "Zero-shot + calibration, α from the same pairs"
101
+ COL_SC = style.ARM["scsemi"]
102
+ LEG_SC = "scSemiProfiler, n pairs as representatives"
103
+
104
+
105
+ def xlabel(st):
106
+ """x-axis label; the inner-val range is read from the RUN.json files."""
107
+ return (f"LoRA training pairs per fold (each run +{rng_txt(st.n_inner_val)} inner-val pairs for early stopping; "
108
+ f"test fold never trained on)")
109
+
110
+
111
+ def xticks(ds):
112
+ """x tick labels of one cohort: the rightmost point is every training donor of the fold, shown as its count."""
113
+ return X_LAB[:-1] + [FZ.all_label(ds)]
114
+
115
+
116
+ def close(a, b, tol=1e-6):
117
+ return abs(float(a) - float(b)) <= tol
118
+
119
+
120
+ class Call:
121
+ """One pooled score_ft.py scoring call."""
122
+
123
+ def __init__(self, path: Path):
124
+ self.path = path
125
+ self.summary = json.loads((path / "summary.json").read_text())
126
+ self.contrast = pd.read_csv(path / "contrast.csv") if (path / "contrast.csv").exists() else None
127
+ self.per_donor = pd.read_csv(path / "per_donor.csv")
128
+ self.src_summary = str(path / "summary.json")
129
+ self.src_contrast = str(path / "contrast.csv")
130
+ self.src_per_donor = str(path / "per_donor.csv")
131
+
132
+ def head(self, arm, key):
133
+ return float(self.summary["headline"][arm][key])
134
+
135
+ def contrast_r(self, arm, col="r_generated"):
136
+ c = self.contrast
137
+ c = c[(c.arm == arm) & (c.statistic == "mean_cp10k") & (c.celltype.isin(CELLTYPES))]
138
+ assert set(c.celltype) == set(CELLTYPES), (self.path, arm)
139
+ return float(c[col].mean())
140
+
141
+ def deg(self, arm, col="top50_overlap"):
142
+ d = self.contrast
143
+ d = d[(d.arm == arm) & (d.statistic == "welch_top50_deg")]
144
+ assert len(d) == 5, (self.path, arm, len(d)) # T/B/Mono/NK/DC
145
+ return float(d[col].sum())
146
+
147
+ def deg_type(self, arm, ct, col="top50_overlap"):
148
+ d = self.contrast
149
+ d = d[(d.arm == arm) & (d.statistic == "welch_top50_deg") & (d.celltype == ct)]
150
+ assert len(d) == 1, (self.path, arm, ct, len(d))
151
+ return float(d[col].iloc[0])
152
+
153
+ def frac_r(self, arm, ct):
154
+ d = self.per_donor[self.per_donor.arm == arm]
155
+ return float(np.corrcoef(d[f"gen_{ct}"].astype(float), d[f"obs_{ct}"].astype(float))[0, 1])
156
+
157
+
158
+ def load():
159
+ calls = {ds: Call(PLAN / "scores" / ds / "pooled") for ds in DSETS}
160
+ deg_call = Call(PLAN / "scores" / "ye2026_sepsis" / "pooled_deg")
161
+ for ds, c in calls.items():
162
+ for a in LORA_ARMS + [ZS, ZS_CAL, "zs__pseudo"]:
163
+ assert a in c.summary["arms"], (ds, a)
164
+ assert c.summary["per_arm"][a].get("receipt_verified", True) is not False, (ds, a)
165
+ # headline composition L1 equals the donor mean of per_donor.csv
166
+ assert close(c.per_donor.loc[c.per_donor.arm == a, "comp_l1"].mean(), c.head(a, "comp_l1"), 1e-9), a
167
+ # headline contrast means equal the per-type mean of contrast.csv
168
+ se = calls["ye2026_sepsis"]
169
+ for a in LORA_ARMS + [ZS, ZS_CAL, "zs__pseudo"]:
170
+ assert close(se.contrast_r(a), se.head(a, "contrast_mean_cp10k_r_gen"), 1e-9), a
171
+ assert close(deg_call.deg(a), deg_call.head(a, "deg_top50_sum"), 1e-9), a
172
+ # broadcast is the same for every arm conditioned on raw real bulk
173
+ bc = {a: se.contrast_r(a, "r_broadcast") for a in RAW_ARMS}
174
+ assert max(bc.values()) - min(bc.values()) < 1e-12, bc
175
+ bcd = {a: deg_call.deg(a, "top50_overlap_broadcast") for a in RAW_ARMS}
176
+ assert len(set(bcd.values())) == 1, bcd
177
+ assert close(bcd["real_lora__raw"], deg_call.head("real_lora__raw", "deg_top50_sum_broadcast"), 1e-9)
178
+ # non-DEG metrics agree between the two sepsis scoring calls (k-NN ties allow 1e-3)
179
+ for a in LORA_ARMS + [ZS, ZS_CAL]:
180
+ for k in ("comp_l1", "coverage"):
181
+ assert abs(se.head(a, k) - deg_call.head(a, k)) <= 1e-3, (a, k)
182
+ lens = {ds: Call(PLAN / "scores" / ds / LEN_SUB) for ds in DSETS}
183
+ for ds, lc in lens.items():
184
+ c = calls[ds]
185
+ assert ZS_LEN in lc.summary["arms"] and ZS in lc.summary["arms"], (ds, lc.summary["arms"])
186
+ assert int(lc.summary["n_donors"]) == int(c.summary["n_donors"]), ds
187
+ assert lc.summary["reference"]["reference_sha256"] == c.summary["reference"]["reference_sha256"], ds
188
+ for k in ("comp_l1", "coverage", "precision"): # the raw arm reproduces in the new call (k-NN ties: 1e-3)
189
+ assert abs(lc.head(ZS, k) - c.head(ZS, k)) <= 1e-3, (ds, k, lc.head(ZS, k), c.head(ZS, k))
190
+ assert close(lens["ye2026_sepsis"].contrast_r(ZS), se.contrast_r(ZS), 1e-9)
191
+ assert close(lens["ye2026_sepsis"].deg(ZS), deg_call.deg(ZS), 1e-9), (lens["ye2026_sepsis"].deg(ZS), deg_call.deg(ZS))
192
+ return calls, deg_call, lens
193
+
194
+
195
+ def find_cal_budget(calls, deg_call):
196
+ """Scan the scores folder for equal-budget calibration arms (see module docstring).
197
+
198
+ Returns (budget, log): budget[ds][n] = dict(arm, calls=[Call, ...]) for drawable arms (pooled call first, then
199
+ other calls over the same donors; the sepsis DEG call first for DEG); log = one dict per matching arm found."""
200
+ budget, log = {ds: {} for ds in DSETS}, []
201
+ cache = {c.path: c for c in list(calls.values()) + [deg_call]}
202
+ for ds in DSETS:
203
+ root = PLAN / "scores" / ds
204
+ pooled = calls[ds]
205
+ donors = set(pooled.per_donor.donor)
206
+ cands = {}
207
+ for sp in sorted(root.rglob("summary.json")):
208
+ rel = sp.relative_to(root)
209
+ if "arms" in rel.parts:
210
+ continue
211
+ try:
212
+ arms = json.loads(sp.read_text()).get("arms") or []
213
+ except (OSError, ValueError):
214
+ continue
215
+ for a in arms:
216
+ m = CAL_N_RE.search(a)
217
+ if "cal" not in a.lower() or m is None or any(t in a.lower() for t in FT_TAGS):
218
+ continue
219
+ n = int(m.group(1))
220
+ if sp.parent not in cache:
221
+ try:
222
+ cache[sp.parent] = Call(sp.parent)
223
+ except (OSError, ValueError) as e:
224
+ log.append(dict(dataset=ds, call=str(rel.parent), arm=a, n=n, drawn=False,
225
+ note=f"not drawn: cannot read the call ({e.__class__.__name__})"))
226
+ continue
227
+ call = cache[sp.parent]
228
+ same = set(call.per_donor.loc[call.per_donor.arm == a, "donor"]) == donors
229
+ ok = same and n in LC_N
230
+ why = ("drawn" if ok else "not drawn: " + ("n not in " + str(LC_N) if same else
231
+ "call does not score the pooled donor set"))
232
+ log.append(dict(dataset=ds, call=str(rel.parent), arm=a, n=n, drawn=ok, note=why))
233
+ if ok:
234
+ cands.setdefault(n, []).append((a, call))
235
+ for n, lst in cands.items():
236
+ names = sorted({a for a, _ in lst})
237
+ if len(names) > 1:
238
+ pref = sorted({a for a, c in lst if c is pooled})
239
+ if len(pref) != 1:
240
+ sys.exit(f"{ds}: several equal-budget calibration arms for n = {n}: {names}; pick one")
241
+ names = pref
242
+ arm = names[0]
243
+ cl = [c for a, c in lst if a == arm]
244
+ cl.sort(key=lambda c: (c is not pooled, c is not deg_call, str(c.path)))
245
+ for c in cl: # a call other than the pooled one must reproduce shared arms (k-NN ties allow 1e-3)
246
+ if c is pooled:
247
+ continue
248
+ for shared in (ZS_CAL, "real_lora__raw"):
249
+ if shared in c.summary["arms"]:
250
+ for k in ("comp_l1", "coverage"):
251
+ assert abs(c.head(shared, k) - pooled.head(shared, k)) <= 1e-3, (c.path, shared, k)
252
+ budget[ds][n] = dict(arm=arm, calls=cl)
253
+ return budget, log
254
+
255
+
256
+ def find_scsemi(calls):
257
+ """scSemiProfiler at n = 5..40 (equal-budget arms) and "all" (5-fold CV arm), see module docstring.
258
+
259
+ Returns (scs, log): scs[ds][pairs label] = dict(arm, calls=[Call, ...]) for accepted calls; log = one dict per
260
+ arm found (accepted or not)."""
261
+ scs, log = {ds: {} for ds in DSETS}, []
262
+ for ds in DSETS:
263
+ ref = calls[ds].summary
264
+ found = [(str(n), a, d) for n, lst in sorted(SR.budget_calls(ds).items()) for a, d in lst]
265
+ found += [("all", SR.CV_ARM, d) for d in SR.cv_calls(ds)]
266
+ for lab, a, d in found:
267
+ try:
268
+ c = Call(d)
269
+ except (OSError, ValueError) as e:
270
+ log.append(dict(dataset=ds, call=str(d), arm=a, pairs=lab, drawn=False,
271
+ note=f"not drawn: cannot read the call ({e.__class__.__name__})"))
272
+ continue
273
+ why = SR.accept(c.summary, ref, a)
274
+ if lab not in X_LAB[1:]:
275
+ why.append(f"n {lab} not in {X_LAB[1:]}")
276
+ ent = scs[ds].get(lab)
277
+ if ent is not None and ent["arm"] != a:
278
+ why.append(f"a different arm ({ent['arm']}) already gives n = {lab}")
279
+ log.append(dict(dataset=ds, call=str(d), arm=a, pairs=lab, drawn=not why,
280
+ note="drawn" if not why else "not drawn: " + "; ".join(why)))
281
+ if not why:
282
+ scs[ds].setdefault(lab, dict(arm=a, calls=[]))["calls"].append(c)
283
+ return scs, log
284
+
285
+
286
+ def scsemi_series(scs, ds, getter):
287
+ """[(pairs label, value, source)] of the scSemiProfiler line for one panel ([] when nothing is found)."""
288
+ out = []
289
+ for lab in X_LAB[1:]:
290
+ if lab in scs[ds]:
291
+ v, c = budget_value(scs[ds][lab], getter)
292
+ if v is not None:
293
+ out.append((lab, v, f"{c.path} arm {scs[ds][lab]['arm']}"))
294
+ return out
295
+
296
+
297
+ def budget_value(entry, getter):
298
+ """First call of a budget entry that provides the metric (None if no call does)."""
299
+ for c in entry["calls"]:
300
+ try:
301
+ return getter(c, entry["arm"]), c
302
+ except (AssertionError, KeyError, TypeError, AttributeError):
303
+ continue
304
+ return None, None
305
+
306
+
307
+ def load_steps():
308
+ rows = []
309
+ for ds in DSETS:
310
+ for k in range(5):
311
+ for arm in RUN_ARMS:
312
+ p = PLAN / "runs" / ds / f"fold{k}" / arm / "RUN.json"
313
+ r = json.loads(p.read_text())
314
+ assert r["source_checkpoint"] == FINAL_CKPT, (p, r["source_checkpoint"])
315
+ assert r["mode"] == "lora", p
316
+ assert r["inner_val_rows"], p # every LoRA run early-stops on paired inner-val donors
317
+ hist = json.loads((p.parent / "history.json").read_text())
318
+ h = {int(e["step"]): float(e["inner_val_loss"]) for e in hist}
319
+ # cap-limited = ran to max_steps without the patience window closing
320
+ cap_limited = (r["steps_run"] >= r["max_steps"]
321
+ and r["steps_run"] - r["selected_step"] < r["patience"] * r["eval_every"])
322
+ last = max(h)
323
+ win = r["patience"] * r["eval_every"] # last patience window (2,000 steps)
324
+ drop_total = h[0] - h[last]
325
+ drop_last = h[last - win] - h[last]
326
+ rows.append({"dataset": ds, "fold": k, "arm": arm, "n_train": len(r["train_rows"]),
327
+ "n_inner_val": len(r["inner_val_rows"]), "selected_step": r["selected_step"],
328
+ "max_steps": r["max_steps"], "steps_run": r["steps_run"],
329
+ "patience_steps": win, "cap_limited": bool(cap_limited),
330
+ "val_loss_step0": h[0], "val_loss_last": h[last],
331
+ "val_loss_last_window_drop_frac": drop_last / drop_total,
332
+ "wall_seconds": r.get("wall_seconds"), "source": str(p),
333
+ "history": str(p.parent / "history.json")})
334
+ st = pd.DataFrame(rows)
335
+ # nested subsets: n_train equals the arm size for lora_n*
336
+ for n in LC_N:
337
+ assert (st[st.arm == f"lora_n{n}"].n_train == n).all(), n
338
+ return st
339
+
340
+
341
+ def load_fold_sizes():
342
+ """Test donors per fold (PREPARE.json); their sum must equal the donors in the pooled scoring call.
343
+ alpha = paired donors the zs__cal alpha is fitted on per fold (train + inner-val)."""
344
+ out = {}
345
+ for ds in DSETS:
346
+ p = PLAN / "data" / ds / "PREPARE.json"
347
+ fs = json.loads(p.read_text())["fold_sizes"]
348
+ out[ds] = dict(test=[int(v["test"]) for v in fs.values()],
349
+ alpha=[int(v["train"]) + int(v["inner_val"]) for v in fs.values()], source=str(p))
350
+ return out
351
+
352
+
353
+ def load_fewshot():
354
+ """Few-pair call (5 draws): zero-shot + calibration with alpha from the same 5 pairs vs LoRA on those 5 pairs
355
+ (fixed 3k steps, no inner-val). Its own donor set, so it is only quoted in the notes, never drawn."""
356
+ out = {}
357
+ for ds in DSETS:
358
+ p = PLAN / "scores" / ds / "fewshot_n5" / "aggregate.json"
359
+ a = json.loads(p.read_text())["arms"]
360
+ out[ds] = dict(zs_cal=float(a["zs_cal"]["coverage"][0]), lora5=float(a["lora5"]["coverage"][0]),
361
+ source=str(p))
362
+ return out
363
+
364
+
365
+ def rng_txt(v):
366
+ v = sorted(int(x) for x in v)
367
+ return f"{v[0]}" if v[0] == v[-1] else f"{v[0]}–{v[-1]}"
368
+
369
+
370
+ def break_axis(ax, v0, lo, hi, x_txt=X_RAW, extra=()):
371
+ """Shrink ax to lo..hi and add a short segment above it that shows v0 at the same data scale.
372
+ extra: further break values (2026-10-02, two zero-shot points at x = 0). When they do not fit at the main scale,
373
+ the segment gets its own scale and a tick at each value."""
374
+ p = ax.get_position()
375
+ h_top, gap = 0.22 * p.height, 0.08 * p.height
376
+ h_main = p.height - h_top - gap
377
+ ax.set_position([p.x0, p.y0, p.width, h_main])
378
+ ax.set_ylim(lo, hi)
379
+ half = (hi - lo) * h_top / h_main / 2
380
+ top = ax.figure.add_axes([p.x0, p.y0 + h_main + gap, p.width, h_top], sharex=ax)
381
+ vals = [v0] + list(extra)
382
+ if max(vals) - min(vals) > 1.6 * half: # own scale: ticks at the values
383
+ spread = max(vals) - min(vals)
384
+ top.set_ylim(min(vals) - 0.35 * spread, max(vals) + 0.35 * spread)
385
+ top.set_yticks(sorted(round(v, 2) for v in vals))
386
+ top.spines["bottom"].set_visible(False)
387
+ top.tick_params(axis="x", bottom=False, labelbottom=False)
388
+ mk = dict(marker=[(-1, -0.5), (1, 0.5)], markersize=10, ls="none", color=style.INK, mec=style.INK, mew=1.2,
389
+ clip_on=False)
390
+ top.plot([0], [0], transform=top.transAxes, **mk)
391
+ ax.plot([0], [1], transform=ax.transAxes, **mk)
392
+ return top
393
+ v0 = (max(vals) + min(vals)) / 2
394
+ top.set_ylim(v0 - half, v0 + half)
395
+ # one tick in the short segment: the nearest value on the main axis' tick grid that fits inside it
396
+ step = float(np.diff(ax.get_yticks()[:2])[0]) / 2
397
+ tick = round(round(v0 / step) * step, 10)
398
+ top.set_yticks([tick] if abs(tick - v0) < half else [])
399
+ if not len(top.get_yticks()): # no grid value fits: print the value next to the point instead
400
+ top.text(x_txt + 0.3, v0, f"{v0:.2f}", va="center", ha="left", fontsize=12)
401
+ top.spines["bottom"].set_visible(False)
402
+ top.tick_params(axis="x", bottom=False, labelbottom=False)
403
+ mk = dict(marker=[(-1, -0.5), (1, 0.5)], markersize=10, ls="none", color=style.INK, mec=style.INK, mew=1.2,
404
+ clip_on=False)
405
+ top.plot([0], [0], transform=top.transAxes, **mk)
406
+ ax.plot([0], [1], transform=ax.transAxes, **mk)
407
+ return top
408
+
409
+
410
+ def curve(ax, z0, vl, refs, rows, panel, ds, srcl, ylim0=None, vb=None, vs=None):
411
+ """Zero-shot points at x = 0 (z0: [(series, value, source)] for raw and calibrated), LoRA curve at 5..all,
412
+ optional equal-budget calibration line (vb: [(pairs label, value, source)]), reference lines.
413
+ Returns the axis that carries the panel title."""
414
+ vb = vb or []
415
+ vs = vs or [] # scSemiProfiler line (n = 5..all)
416
+ lo, hi = min(vl), max(vl)
417
+ for _, val, _ in list(refs) + [(None, v, None) for _, v, _ in vb + vs]:
418
+ lo, hi = min(lo, val), max(hi, val)
419
+ span = hi - lo
420
+ # a zero-shot point goes to the break segment when it sits > BREAK_RATIO spans beyond everything else
421
+ out = {ser for ser, v, _ in z0
422
+ if ylim0 is None and span > 0 and (v - hi > BREAK_RATIO * span or lo - v > BREAK_RATIO * span)}
423
+ for ser, v, _ in z0:
424
+ if ser in out:
425
+ assert v > hi, (panel, ds, ser, "axis break below the curve is not implemented")
426
+ else:
427
+ lo, hi = min(lo, v), max(hi, v)
428
+ broken = bool(out)
429
+ pad = (hi - lo) * 0.15
430
+ axes = [ax]
431
+ xz = {"zero_shot": X_RAW, "zs_len": X_CAL}
432
+ if broken:
433
+ zb = [z for z in z0 if z[0] in out]
434
+ top = break_axis(ax, zb[0][1], lo - pad, hi + pad, xz[zb[0][0]], extra=[v for _, v, _ in zb[1:]])
435
+ axes.append(top)
436
+ else:
437
+ ax.set_ylim(ylim0 if ylim0 is not None else lo - pad, hi + pad)
438
+ for ser, v, src in z0:
439
+ a = axes[-1] if ser in out else ax
440
+ if ser == "zero_shot":
441
+ a.scatter([X_RAW], [v], s=70, color=COL_RAW, edgecolor=RAW_EDGE, lw=1.0, zorder=5, clip_on=False)
442
+ else:
443
+ a.scatter([X_CAL], [v], s=70, color=COL_LEN, edgecolor=style.INK, lw=0.6, zorder=5, clip_on=False)
444
+ rows.append(dict(panel=panel, dataset=ds, series=ser, pairs=X_LAB[0], value=v, source=src,
445
+ y_axis_break=bool(broken)))
446
+ if vb:
447
+ xb = [X_POS[X_LAB.index(lab)] for lab, _, _ in vb]
448
+ ax.plot(xb, [v for _, v, _ in vb], color=COL_CAL, lw=1.8, zorder=3)
449
+ ax.scatter(xb, [v for _, v, _ in vb], s=60, marker="s", color=COL_CAL, edgecolor=style.INK, lw=0.6,
450
+ zorder=5)
451
+ for lab, v, src in vb:
452
+ rows.append(dict(panel=panel, dataset=ds, series="zs_cal_budget", pairs=lab, value=v, source=src,
453
+ y_axis_break=bool(broken)))
454
+ if vs:
455
+ xs = [X_POS[X_LAB.index(lab)] for lab, _, _ in vs]
456
+ ax.plot(xs, [v for _, v, _ in vs], color=COL_SC, lw=1.8, zorder=3)
457
+ ax.scatter(xs, [v for _, v, _ in vs], s=55, marker="D", color=COL_SC, edgecolor=style.INK, lw=0.6, zorder=5)
458
+ for lab, v, src in vs:
459
+ rows.append(dict(panel=panel, dataset=ds, series="scsemi", pairs=lab, value=v, source=src,
460
+ y_axis_break=bool(broken)))
461
+ ax.plot(X_POS[1:], vl, color=style.ARM["lora"], lw=2.0, zorder=3)
462
+ ax.scatter(X_POS[1:], vl, s=70, color=style.ARM["lora"], edgecolor=style.INK, lw=0.6, zorder=5)
463
+ for lab, v, s in zip(X_LAB[1:], vl, srcl):
464
+ rows.append(dict(panel=panel, dataset=ds, series="lora", pairs=lab, value=v, source=s,
465
+ y_axis_break=bool(broken)))
466
+ for key, val, src in refs:
467
+ r = REF[key]
468
+ for a in axes:
469
+ a.axhline(val, ls=r["ls"], color=r["color"], lw=r["lw"], zorder=2)
470
+ rows.append(dict(panel=panel, dataset=ds, series=f"ref_{key}", pairs="", value=val, source=src,
471
+ y_axis_break=bool(broken)))
472
+ ax.set_xlim(*XLIM)
473
+ ax.set_xticks(X_POS)
474
+ ax.set_xticklabels(xticks(ds))
475
+ # nothing is clipped: every plotted value is inside the y range of the axis that draws it
476
+ for v in list(vl) + [val for _, val, _ in refs] + [v for _, v, _ in vb + vs] + [v for ser, v, _ in z0
477
+ if ser not in out]:
478
+ assert ax.get_ylim()[0] <= v <= ax.get_ylim()[1], (panel, ds, v, ax.get_ylim())
479
+ for ser, v, _ in z0:
480
+ if ser in out:
481
+ assert axes[-1].get_ylim()[0] <= v <= axes[-1].get_ylim()[1], (panel, ds, ser, v)
482
+ return axes[-1]
483
+
484
+
485
+ def budget_series(budget, ds, getter, cal_all, src_all):
486
+ """Equal-budget calibration line for one panel: [(pairs label, value, source)] at n = 5..40 (where present)
487
+ plus "all" = zs__cal (alpha from the same train + inner-val pairs LoRA "all" saw). [] when nothing is found."""
488
+ out = []
489
+ for n in LC_N:
490
+ if n not in budget[ds]:
491
+ continue
492
+ v, c = budget_value(budget[ds][n], getter)
493
+ if v is not None:
494
+ out.append((str(n), v, f"{c.path} arm {budget[ds][n]['arm']}"))
495
+ if out:
496
+ out.append(("all", cal_all, src_all + " arm zs__cal (alpha from every training pair of the fold = the rightmost LoRA point's pairs)"))
497
+ return out
498
+
499
+
500
+ def fig_realism(calls, lens, st, fold_sizes, rows, steprows, budget, scs):
501
+ has_budget = any(budget[ds] for ds in DSETS)
502
+ has_sc = any(scs[ds] for ds in DSETS)
503
+ n_leg = 6 + has_budget + has_sc
504
+ fig, axs = plt.subplots(2, 3, figsize=style.FULL, # a third legend row when an optional line is drawn
505
+ gridspec_kw=dict(left=0.168, right=0.99, top=0.79 if n_leg > 6 else 0.83,
506
+ bottom=0.12, hspace=0.36, wspace=0.30))
507
+ heads = ["Composition L1 ↓", "Coverage ↑", "Selected step (×1,000)"]
508
+ pos0 = {ri: axs[ri, 2].get_position() for ri in range(len(DSETS))} # row extents before any y-axis break
509
+ title_ax = {ci: axs[0, ci] for ci in range(3)}
510
+ for ri, ds in enumerate(DSETS):
511
+ c = calls[ds]
512
+ for ci, key in enumerate(["comp_l1", "coverage"]):
513
+ ax = axs[ri, ci]
514
+ refs = [("pseudo", c.head("zs__pseudo", key), c.src_summary)]
515
+ if key == "comp_l1":
516
+ refs.append(("null", c.head("real_lora__raw", "comp_l1_obs_loo_null"), c.src_summary))
517
+ z0 = [("zero_shot", c.head(ZS, key), c.src_summary),
518
+ ("zs_len", lens[ds].head(ZS_LEN, key), lens[ds].src_summary)]
519
+ vb = budget_series(budget, ds, lambda cc, a, k=key: cc.head(a, k), c.head(ZS_CAL, key), c.src_summary)
520
+ vs = scsemi_series(scs, ds, lambda cc, a, k=key: cc.head(a, k))
521
+ tax = curve(ax, z0, [c.head(a, key) for a in LORA_ARMS], refs, rows,
522
+ f"{key}", ds, [c.src_summary] * 5, vb=vb, vs=vs)
523
+ if ri == 0:
524
+ title_ax[ci] = tax
525
+ # selected early-stopping step per fold
526
+ ax = axs[ri, 2]
527
+ s = st[st.dataset == ds]
528
+ for xi, arm in zip(X_POS[1:], RUN_ARMS):
529
+ f = s[s.arm == arm].sort_values("fold")
530
+ v = f.selected_step.astype(float).values / 1000
531
+ jit = np.linspace(-0.22, 0.22, len(v))
532
+ ax.scatter(xi + jit, v, s=36, color=style.ARM["lora"], edgecolor=style.INK, lw=0.5, zorder=4)
533
+ med = float(np.median(v))
534
+ ax.plot([xi - 0.36, xi + 0.36], [med, med], color=style.INK, lw=2.0, zorder=5)
535
+ steprows.append(dict(dataset=ds, arm=arm, pairs=X_LAB[X_POS.index(xi)], median_step=med * 1000,
536
+ min_step=v.min() * 1000, max_step=v.max() * 1000,
537
+ n_cap_limited=int(f.cap_limited.sum()),
538
+ max_last_window_drop_frac=(float(f[f.cap_limited].val_loss_last_window_drop_frac.max())
539
+ if f.cap_limited.any() else np.nan),
540
+ n_train=rng_txt(f.n_train), n_inner_val=rng_txt(f.n_inner_val),
541
+ source=";".join(f.source)))
542
+ cap = float(s.max_steps.max()) / 1000
543
+ ax.axhline(cap, color=style.GREY, lw=1.0, ls=(0, (2, 2)), zorder=1)
544
+ ax.text(X_POS[0] - 0.4, cap + 0.6, f"cap {cap:g}k", color=style.GREY, fontsize=12, va="bottom")
545
+ ax.text(X_POS[0], cap * 0.45, "no training", color=style.GREY, fontsize=12, ha="center",
546
+ va="center", rotation=90)
547
+ ax.set_ylim(0, cap * 1.18)
548
+ ax.set_xlim(-0.5, X_POS[-1] + 0.5)
549
+ ax.set_xticks(X_POS)
550
+ ax.set_xticklabels(xticks(ds))
551
+ n_all = rng_txt(s[s.arm == "real_lora"].n_train)
552
+ n_iv = rng_txt(s.n_inner_val)
553
+ n_scored = int(c.summary["n_donors"])
554
+ assert n_scored == sum(fold_sizes[ds]["test"]), (ds, n_scored, fold_sizes[ds]["test"])
555
+ n_alpha = rng_txt(fold_sizes[ds]["alpha"])
556
+ # zs__cal alpha uses the same donors LoRA "all" trains and early-stops on (train + inner-val)
557
+ lora_all_seen = sorted(int(a) + int(b) for a, b in zip(s[s.arm == "real_lora"].sort_values("fold").n_train,
558
+ s[s.arm == "real_lora"].sort_values("fold").n_inner_val))
559
+ assert lora_all_seen == sorted(fold_sizes[ds]["alpha"]), (ds, lora_all_seen, fold_sizes[ds]["alpha"])
560
+ ymid = (pos0[ri].y0 + pos0[ri].y1) / 2
561
+ fig.text(0.005, ymid + 0.075, DS_LABEL[ds], fontsize=15, fontweight="bold", va="bottom", ha="left")
562
+ fig.text(0.005, ymid + 0.065,
563
+ f"{n_scored} donors\ninner-val = {n_iv}\ntest fold\nnever trained on",
564
+ fontsize=12.5, va="top", ha="left", linespacing=1.35)
565
+ rows.append(dict(panel="meta", dataset=ds, series="n_scored_donors", pairs="", value=n_scored,
566
+ source=c.src_summary))
567
+ rows.append(dict(panel="meta", dataset=ds, series="n_pairs_all", pairs="all", value=n_all,
568
+ source="RUN.json train_rows: " + ";".join(s[s.arm == "real_lora"].source)))
569
+ rows.append(dict(panel="meta", dataset=ds, series="n_inner_val", pairs="", value=n_iv,
570
+ source="RUN.json inner_val_rows (all LoRA arms, 5 folds)"))
571
+ rows.append(dict(panel="meta", dataset=ds, series="n_test_donors_per_fold", pairs="",
572
+ value="/".join(map(str, fold_sizes[ds]["test"])),
573
+ source=fold_sizes[ds]["source"] + " fold_sizes test"))
574
+ rows.append(dict(panel="meta", dataset=ds, series="n_alpha_fit_pairs", pairs="0", value=n_alpha,
575
+ source=fold_sizes[ds]["source"] + " fold_sizes train+inner_val; prepare_dataset.py "
576
+ "fit = fold != f"))
577
+ for ci, h in enumerate(heads):
578
+ title_ax[ci].set_title(h, fontsize=14, pad=8)
579
+ x0, x1 = axs[1, 0].get_position().x0, axs[1, 2].get_position().x1
580
+ fig.text((x0 + x1) / 2, 0.005, xlabel(st), ha="center", va="bottom", fontsize=14)
581
+ handles = [ # column-wise fill: [raw, cal, (equal-budget cal)] | [LoRA, (scSemi), median] | [pseudo, null]
582
+ h_raw(), h_len()] + ([h_budget()] if has_budget else []) + ([h_scsemi()] if has_sc else []) + [
583
+ Line2D([0], [0], marker="o", color=style.ARM["lora"], lw=2.0, markeredgecolor=style.INK, markersize=8,
584
+ label="LoRA fine-tune (dots in step panel = folds)"),
585
+ Line2D([0], [0], color=style.INK, lw=2.0, label="Median of 5 folds"),
586
+ Line2D([0], [0], ls=REF["pseudo"]["ls"], color=REF["pseudo"]["color"], lw=REF["pseudo"]["lw"],
587
+ label=REF["pseudo"]["label"]),
588
+ Line2D([0], [0], ls=REF["null"]["ls"], color=REF["null"]["color"], lw=REF["null"]["lw"],
589
+ label=REF["null"]["label"]),
590
+ ]
591
+ fig.legend(handles=handles, loc="upper left", bbox_to_anchor=(0.005, 1.0), ncol=3, frameon=False,
592
+ fontsize=12, handlelength=2.4, columnspacing=1.6, labelspacing=0.4, borderaxespad=0.0)
593
+ style.save(fig, "sec08_pairs_realism", FIGDIR)
594
+
595
+
596
+ def h_raw():
597
+ return Line2D([0], [0], marker="o", color=COL_RAW, lw=0, markeredgecolor=RAW_EDGE, markersize=8, label=LEG_ZS)
598
+
599
+
600
+ def h_len():
601
+ return Line2D([0], [0], marker="o", color=COL_LEN, lw=0, markeredgecolor=style.INK, markersize=8, label=LEG_LEN)
602
+
603
+
604
+ def h_scsemi():
605
+ return Line2D([0], [0], marker="D", color=COL_SC, lw=1.8, markeredgecolor=style.INK, markersize=7, label=LEG_SC)
606
+
607
+
608
+ def h_budget():
609
+ return Line2D([0], [0], marker="s", color=COL_CAL, lw=1.8, markeredgecolor=style.INK, markersize=7,
610
+ label=LEG_CAL_N)
611
+
612
+
613
+ def fig_signal(calls, deg_call, lens, st, rows, budget, scs):
614
+ has_budget = any(budget[ds] for ds in DSETS)
615
+ has_sc = any(scs[ds] for ds in DSETS)
616
+ leg_rows = -(-(5 + has_budget + has_sc) // 2)
617
+ fig, axs = plt.subplots(1, 3, figsize=style.TALL,
618
+ gridspec_kw=dict(left=0.085, right=0.99, top=0.755 - 0.055 * (leg_rows - 3), bottom=0.115,
619
+ wspace=0.42)) # 3 legend rows (4 with both optional lines)
620
+ im, se = calls["immicro"], calls["ye2026_sepsis"]
621
+ iml, sel = lens["immicro"], lens["ye2026_sepsis"]
622
+ tax = [None] * 3
623
+ # a: ImMicro across-donor NK fraction r
624
+ tax[0] = curve(axs[0], [("zero_shot", im.frac_r(ZS, "NK cell"), im.src_per_donor),
625
+ ("zs_len", iml.frac_r(ZS_LEN, "NK cell"), iml.src_per_donor)],
626
+ [im.frac_r(a, "NK cell") for a in LORA_ARMS],
627
+ [("pseudo", im.frac_r("zs__pseudo", "NK cell"), im.src_per_donor)], rows, "nk_fraction_r",
628
+ "immicro", [im.src_per_donor] * 5,
629
+ vb=budget_series(budget, "immicro", lambda cc, a: cc.frac_r(a, "NK cell"),
630
+ im.frac_r(ZS_CAL, "NK cell"), im.src_per_donor),
631
+ vs=scsemi_series(scs, "immicro", lambda cc, a: cc.frac_r(a, "NK cell")))
632
+ # other cell types, recorded for the footnote ("0+cal" = zero-shot + calibration)
633
+ for ct in ["T cell", "B cell", "Monocyte"]:
634
+ for a, lab in zip([ZS, ZS_CAL] + LORA_ARMS, ["0", "0+cal"] + X_LAB[1:]):
635
+ rows.append(dict(panel="other_fraction_r", dataset="immicro", series=ct, pairs=lab,
636
+ value=im.frac_r(a, ct), source=im.src_per_donor))
637
+ # b: sepsis disease logFC r (mean of T/B/Mono/NK, mean_cp10k)
638
+ tax[1] = curve(axs[1], [("zero_shot", se.contrast_r(ZS), se.src_contrast),
639
+ ("zs_len", sel.contrast_r(ZS_LEN), sel.src_contrast)],
640
+ [se.contrast_r(a) for a in LORA_ARMS],
641
+ [("pseudo", se.contrast_r("zs__pseudo"), se.src_contrast),
642
+ ("broadcast", se.contrast_r("real_lora__raw", "r_broadcast"), se.src_contrast)],
643
+ rows, "logfc_r", "ye2026_sepsis", [se.src_contrast] * 5,
644
+ vb=budget_series(budget, "ye2026_sepsis", lambda cc, a: cc.contrast_r(a),
645
+ se.contrast_r(ZS_CAL), se.src_contrast),
646
+ vs=scsemi_series(scs, "ye2026_sepsis", lambda cc, a: cc.contrast_r(a)))
647
+ # c: sepsis top-50 DEG (Welch, sum over T/B/Mono/NK/DC)
648
+ tax[2] = curve(axs[2], [("zero_shot", deg_call.deg(ZS), deg_call.src_contrast),
649
+ ("zs_len", sel.deg(ZS_LEN), sel.src_contrast)],
650
+ [deg_call.deg(a) for a in LORA_ARMS],
651
+ [("pseudo", deg_call.deg("zs__pseudo"), deg_call.src_contrast),
652
+ ("broadcast", deg_call.deg("real_lora__raw", "top50_overlap_broadcast"), deg_call.src_contrast)],
653
+ rows, "top50_deg", "ye2026_sepsis", [deg_call.src_contrast] * 5, ylim0=0,
654
+ vb=budget_series(budget, "ye2026_sepsis", lambda cc, a: cc.deg(a),
655
+ deg_call.deg(ZS_CAL), deg_call.src_contrast),
656
+ vs=scsemi_series(scs, "ye2026_sepsis", lambda cc, a: cc.deg(a)))
657
+ # top-50 DEG overlap per cell type (footnote: which types carry the gain), incl. broadcast
658
+ for ct in DEG_TYPES:
659
+ for a, lab in zip([ZS, ZS_CAL] + LORA_ARMS + ["zs__pseudo"], ["0", "0+cal"] + X_LAB[1:] + ["pseudo"]):
660
+ rows.append(dict(panel="top50_deg_by_type", dataset="ye2026_sepsis", series=ct, pairs=lab,
661
+ value=deg_call.deg_type(a, ct), source=deg_call.src_contrast))
662
+ rows.append(dict(panel="top50_deg_by_type", dataset="ye2026_sepsis", series=ct, pairs="broadcast",
663
+ value=deg_call.deg_type("real_lora__raw", ct, "top50_overlap_broadcast"),
664
+ source=deg_call.src_contrast))
665
+ cd = se.summary["contrast_definition"]
666
+ grp = f"Sepsis {cd['n_case_donors']} vs {cd['n_control_donors']}"
667
+ heads = [f"ImMicro, {int(im.summary['n_donors'])} donors\ndonor NK fraction r",
668
+ f"{grp}\ndisease logFC r", f"{grp}\ntop-50 DEG overlap"]
669
+ for ax, h in zip(tax, heads):
670
+ ax.set_title(h, fontsize=14, pad=8, linespacing=1.3)
671
+ x0, x1 = axs[0].get_position().x0, axs[2].get_position().x1
672
+ fig.text((x0 + x1) / 2, 0.005, xlabel(st), ha="center", va="bottom", fontsize=13)
673
+ rows.append(dict(panel="meta", dataset="ye2026_sepsis", series="n_case_vs_control", pairs="",
674
+ value=f"{se.summary['contrast_definition']['n_case_donors']} vs "
675
+ f"{se.summary['contrast_definition']['n_control_donors']}", source=se.src_summary))
676
+ handles = [ # column-wise fill: [raw, cal, pseudo, ...] | [LoRA, (equal-budget cal), (scSemi), broadcast]
677
+ h_raw(), h_len(),
678
+ Line2D([0], [0], ls=REF["pseudo"]["ls"], color=REF["pseudo"]["color"], lw=REF["pseudo"]["lw"],
679
+ label=REF["pseudo"]["label"]),
680
+ Line2D([0], [0], marker="o", color=style.ARM["lora"], lw=2.0, markeredgecolor=style.INK, markersize=8,
681
+ label="LoRA fine-tune"),
682
+ ] + ([h_budget()] if has_budget else []) + ([h_scsemi()] if has_sc else []) + [
683
+ Line2D([0], [0], ls=REF["broadcast"]["ls"], color=REF["broadcast"]["color"], lw=REF["broadcast"]["lw"],
684
+ label=REF["broadcast"]["label"]),
685
+ ]
686
+ fig.legend(handles=handles, loc="upper left", bbox_to_anchor=(0.005, 1.0), ncol=2, frameon=False,
687
+ fontsize=12, handlelength=2.4, columnspacing=1.2, labelspacing=0.4, borderaxespad=0.0)
688
+ style.save(fig, "sec08_pairs_signal", FIGDIR)
689
+
690
+
691
+ def slide_numbers(calls, deg_call, st, fold_sizes, fewshot, budget, budget_log, scs=None, sc_log=(), lens=None):
692
+ """Numbers quoted in the slide keywords/footnote, each with its source file."""
693
+ im, se = calls["immicro"], calls["ye2026_sepsis"]
694
+ out = []
695
+
696
+ def add(key, value, src):
697
+ out.append(dict(key=key, value=value, source=src))
698
+
699
+ for ds, c in calls.items():
700
+ for key in ("coverage", "comp_l1"):
701
+ add(f"{ds}.{key}.zero_shot", round(c.head(ZS, key), 3), c.src_summary)
702
+ add(f"{ds}.{key}.zs_cal", round(c.head(ZS_CAL, key), 3), c.src_summary)
703
+ if lens:
704
+ add(f"{ds}.{key}.zs_len", round(lens[ds].head(ZS_LEN, key), 3), lens[ds].src_summary)
705
+ add(f"{ds}.{key}.lora_n5", round(c.head("lora_n5__raw", key), 3), c.src_summary)
706
+ add(f"{ds}.{key}.lora_all", round(c.head("real_lora__raw", key), 3), c.src_summary)
707
+ add(f"{ds}.{key}.zs_pseudo", round(c.head("zs__pseudo", key), 3), c.src_summary)
708
+ add(f"{ds}.comp_l1.null", round(c.head("real_lora__raw", "comp_l1_obs_loo_null"), 3), c.src_summary)
709
+ # donor-level composition L1, each LoRA size vs zero-shot (paired Wilcoxon, uncorrected)
710
+ piv = c.per_donor.pivot(index="donor", columns="arm", values="comp_l1")
711
+ for a, lab in zip(LORA_ARMS, X_LAB[1:]):
712
+ x = (piv[a] - piv[ZS]).dropna()
713
+ add(f"{ds}.comp_l1.lora_{lab}_minus_zero_shot.mean", round(float(x.mean()), 3), c.src_per_donor)
714
+ add(f"{ds}.comp_l1.lora_{lab}_minus_zero_shot.frac_donors_lower", round(float((x < 0).mean()), 2),
715
+ c.src_per_donor)
716
+ add(f"{ds}.comp_l1.lora_{lab}_vs_zero_shot.wilcoxon_p", float(f"{wilcoxon(x).pvalue:.2g}"),
717
+ c.src_per_donor)
718
+ # each LoRA size vs zero-shot + calibration (donor L1 and donor coverage; paired Wilcoxon, uncorrected)
719
+ for met in ("comp_l1", "coverage"):
720
+ pv = c.per_donor.pivot(index="donor", columns="arm", values=met)
721
+ for a, lab in zip(LORA_ARMS, X_LAB[1:]):
722
+ x = (pv[a] - pv[ZS_CAL]).dropna()
723
+ add(f"{ds}.{met}.lora_{lab}_minus_zs_cal.mean", round(float(x.mean()), 3), c.src_per_donor)
724
+ add(f"{ds}.{met}.lora_{lab}_minus_zs_cal.frac_donors_lower", round(float((x < 0).mean()), 2),
725
+ c.src_per_donor)
726
+ add(f"{ds}.{met}.lora_{lab}_vs_zs_cal.wilcoxon_p", float(f"{wilcoxon(x).pvalue:.2g}"),
727
+ c.src_per_donor)
728
+ # the raw -> calibrated zero-shot gap
729
+ x = (pv[ZS_CAL] - pv[ZS]).dropna()
730
+ add(f"{ds}.{met}.zs_cal_minus_zero_shot.mean", round(float(x.mean()), 3), c.src_per_donor)
731
+ add(f"{ds}.{met}.zs_cal_vs_zero_shot.wilcoxon_p", float(f"{wilcoxon(x).pvalue:.2g}"), c.src_per_donor)
732
+ add(f"{ds}.cal_alpha_fit_pairs", rng_txt(fold_sizes[ds]["alpha"]),
733
+ fold_sizes[ds]["source"] + " fold_sizes train+inner_val; tools/prepare_dataset.py fit = fold != f")
734
+ # few-pair call (its own donors): alpha from the same 5 pairs vs LoRA on them (fixed 3k steps, no inner-val)
735
+ add(f"{ds}.fewshot_n5.coverage.zs_cal_same5", round(fewshot[ds]["zs_cal"], 3), fewshot[ds]["source"])
736
+ add(f"{ds}.fewshot_n5.coverage.lora5_fixed3k", round(fewshot[ds]["lora5"], 3), fewshot[ds]["source"])
737
+ add(f"{ds}.n_scored_donors", int(c.summary["n_donors"]), c.src_summary)
738
+ s = st[st.dataset == ds]
739
+ add(f"{ds}.selected_step.lora_n5.range", rng_txt(s[s.arm == "lora_n5"].selected_step), "RUN.json: "
740
+ + ";".join(s[s.arm == "lora_n5"].source))
741
+ add(f"{ds}.n_train.all", rng_txt(s[s.arm == "real_lora"].n_train), "RUN.json: "
742
+ + ";".join(s[s.arm == "real_lora"].source))
743
+ add(f"{ds}.n_inner_val", rng_txt(s.n_inner_val), "RUN.json inner_val_rows (all LoRA arms, 5 folds)")
744
+ for arm in RUN_ARMS:
745
+ f = s[s.arm == arm]
746
+ add(f"{ds}.folds_cap_limited.{arm}", f"{int(f.cap_limited.sum())}/{len(f)}",
747
+ "RUN.json steps_run == max_steps and steps_run - selected_step < patience*eval_every: "
748
+ + ";".join(f.source))
749
+ capped = s[s.cap_limited]
750
+ if len(capped):
751
+ add(f"{ds}.cap_limited.max_val_loss_drop_frac_last_2k_steps",
752
+ round(float(capped.val_loss_last_window_drop_frac.max()), 4),
753
+ "history.json inner_val_loss (drop over last patience window / drop from step 0): "
754
+ + ";".join(capped.history))
755
+ for a, lab in zip([ZS, ZS_CAL] + LORA_ARMS + ["zs__pseudo"], KEY_LAB[:1] + ["zs_cal"] + KEY_LAB[1:] + ["pseudo"]):
756
+ add(f"immicro.nk_fraction_r.{lab}", round(im.frac_r(a, "NK cell"), 2), im.src_per_donor)
757
+ add(f"sepsis.logfc_r.{lab}", round(se.contrast_r(a), 2), se.src_contrast)
758
+ add(f"sepsis.top50_deg.{lab}", int(deg_call.deg(a)), deg_call.src_contrast)
759
+ add("sepsis.logfc_r.broadcast", round(se.contrast_r("real_lora__raw", "r_broadcast"), 2), se.src_contrast)
760
+ add("sepsis.top50_deg.broadcast", int(deg_call.deg("real_lora__raw", "top50_overlap_broadcast")),
761
+ deg_call.src_contrast)
762
+
763
+ def first_sustained(v, thr, strict=True):
764
+ """First LoRA n from which every later n is above (or >=) thr."""
765
+ for i in range(len(v)):
766
+ if all((x > thr) if strict else (x >= thr) for x in v[i:]):
767
+ return X_LAB[1 + i]
768
+ return "never"
769
+ bc_r = se.contrast_r("real_lora__raw", "r_broadcast")
770
+ bc_d = deg_call.deg("real_lora__raw", "top50_overlap_broadcast")
771
+ vr = [se.contrast_r(a) for a in LORA_ARMS]
772
+ vd = [deg_call.deg(a) for a in LORA_ARMS]
773
+ add("sepsis.logfc_r.first_n_above_broadcast", first_sustained(vr, bc_r), se.src_contrast)
774
+ add("sepsis.logfc_r.first_n_above_zero_shot", first_sustained(vr, se.contrast_r(ZS)), se.src_contrast)
775
+ add("sepsis.top50_deg.first_n_at_or_above_broadcast", first_sustained(vd, bc_d, strict=False),
776
+ deg_call.src_contrast)
777
+ add("sepsis.top50_deg.first_n_above_zero_shot", first_sustained(vd, deg_call.deg(ZS)), deg_call.src_contrast)
778
+ add("sepsis.logfc_r.first_n_above_zs_cal", first_sustained(vr, se.contrast_r(ZS_CAL)), se.src_contrast)
779
+ add("sepsis.top50_deg.first_n_above_zs_cal", first_sustained(vd, deg_call.deg(ZS_CAL)), deg_call.src_contrast)
780
+ vn = [im.frac_r(a, "NK cell") for a in LORA_ARMS]
781
+ add("immicro.nk_fraction_r.first_n_above_zs_cal", first_sustained(vn, im.frac_r(ZS_CAL, "NK cell")),
782
+ im.src_per_donor)
783
+ for ds, c in calls.items():
784
+ for key in ("coverage", "comp_l1"):
785
+ v = [c.head(a, key) for a in LORA_ARMS]
786
+ thr = c.head(ZS_CAL, key)
787
+ first = first_sustained([-x for x in v], -thr) if key == "comp_l1" else first_sustained(v, thr)
788
+ add(f"{ds}.{key}.first_n_better_than_zs_cal", first, c.src_summary)
789
+ # across-donor fraction r per cell type: first n from which LoRA stays at/above zero-shot (footnote)
790
+ for ct, key in [("T cell", "T"), ("B cell", "B"), ("Monocyte", "Mono"), ("NK cell", "NK")]:
791
+ v = [im.frac_r(a, ct) for a in LORA_ARMS]
792
+ add(f"immicro.fraction_r.{key}.first_n_at_or_above_zero_shot",
793
+ first_sustained(v, im.frac_r(ZS, ct), strict=False), im.src_per_donor)
794
+ add(f"immicro.fraction_r.{key}.zero_shot", round(im.frac_r(ZS, ct), 2), im.src_per_donor)
795
+ add(f"immicro.fraction_r.{key}.zs_cal", round(im.frac_r(ZS_CAL, ct), 2), im.src_per_donor)
796
+ add(f"immicro.fraction_r.{key}.first_n_at_or_above_zs_cal",
797
+ first_sustained(v, im.frac_r(ZS_CAL, ct), strict=False), im.src_per_donor)
798
+ add(f"immicro.fraction_r.{key}.lora_5_10_20_40_all", "/".join(f"{x:.2f}" for x in v), im.src_per_donor)
799
+ # top-50 DEG overlap by cell type (which types carry the gain)
800
+ for ct, key in [("T cell", "T"), ("B cell", "B"), ("Monocyte", "Mono"), ("NK cell", "NK"), ("DC", "DC")]:
801
+ v = [deg_call.deg_type(a, ct) for a in [ZS] + LORA_ARMS]
802
+ add(f"sepsis.top50_deg.{key}.zero_shot_5_10_20_40_all", "/".join(f"{x:g}" for x in v),
803
+ deg_call.src_contrast)
804
+ add(f"sepsis.top50_deg.{key}.zs_cal", int(deg_call.deg_type(ZS_CAL, ct)), deg_call.src_contrast)
805
+ add(f"sepsis.top50_deg.{key}.broadcast", int(deg_call.deg_type("real_lora__raw", ct,
806
+ "top50_overlap_broadcast")),
807
+ deg_call.src_contrast)
808
+ add("sepsis.n_case", int(se.summary["contrast_definition"]["n_case_donors"]), se.src_summary)
809
+ add("sepsis.n_control", int(se.summary["contrast_definition"]["n_control_donors"]), se.src_summary)
810
+ add("final_checkpoint", FINAL_CKPT, "RUN.json source_checkpoint (all 50 LoRA runs)")
811
+ # equal-budget calibration scan (zero-shot + calibration with alpha from the n + inner-val pairs of lora_n*)
812
+ add("cal_budget.pattern", f"scores/<dataset>/**/summary.json arm names: 'cal' and regex {CAL_N_RE.pattern}, "
813
+ f"none of {list(FT_TAGS)}", str(PLAN / "scores"))
814
+ add("cal_budget.found", ";".join(f"{r['dataset']}:{r['call']}:{r['arm']}" for r in budget_log) or "none",
815
+ str(PLAN / "scores"))
816
+ for ds in DSETS:
817
+ add(f"{ds}.cal_budget.n_drawn", ",".join(str(n) for n in sorted(budget[ds])) or "none", str(PLAN / "scores"))
818
+ # scSemiProfiler line (equal-budget n + 5-fold CV "all")
819
+ add("scsemi.found", ";".join(f"{r['dataset']}:{r['call']}:{r['arm']}:{r['note']}" for r in sc_log) or "none",
820
+ f"{SR.plan_root()}/scores/<dataset>/{{{SR.BUDGET_EXP},{SR.CV_EXP}}}/pooled*")
821
+ for ds in DSETS:
822
+ sc = (scs or {}).get(ds, {})
823
+ add(f"{ds}.scsemi.pairs_drawn", ",".join(lab for lab in X_LAB[1:] if lab in sc) or "none",
824
+ f"{SR.plan_root()}/scores/{ds}")
825
+ for lab in X_LAB[1:]:
826
+ if lab in sc:
827
+ for key in ("coverage", "comp_l1"):
828
+ v, c = budget_value(sc[lab], lambda cc, a, k=key: cc.head(a, k))
829
+ if v is not None:
830
+ add(f"{ds}.{key}.scsemi_{lab}", round(v, 3), str(c.path / "summary.json"))
831
+ return pd.DataFrame(out)
832
+
833
+
834
+ def check_against_fig3(rows):
835
+ """Cross-check the LoRA curve, the zero-shot + calibration point and the reference lines with the plan's own
836
+ fig3 source data (same numbers, independent code path; the plan's fig3 n=0 point is zs__cal). The zero-shot
837
+ real-bulk point is not in fig3; it is checked in load() instead (headline vs per_donor.csv / contrast.csv)."""
838
+ ref = pd.read_csv(PLAN / "figures" / "source_data" / "fig3_learning_curve.csv")
839
+ pmap = {("comp_l1", "immicro"): "3a", ("comp_l1", "ye2026_sepsis"): "3b",
840
+ ("coverage", "immicro"): "3c", ("coverage", "ye2026_sepsis"): "3d",
841
+ ("nk_fraction_r", "immicro"): "3e", ("logfc_r", "ye2026_sepsis"): "3f",
842
+ ("top50_deg", "ye2026_sepsis"): "3h"}
843
+ n = 0
844
+ for r in rows:
845
+ p = pmap.get((r["panel"], r["dataset"]))
846
+ if p is None or r["series"] in ("zero_shot", "zs_cal_budget", "scsemi"):
847
+ continue
848
+ if r["series"] == "lora":
849
+ m = ref[(ref.panel == p) & (ref.series == r["series"]) & (ref.draw == f"n={r['pairs']}")]
850
+ elif r["series"] == "zs_cal":
851
+ m = ref[(ref.panel == p) & (ref.series == "zs_cal") & (ref.draw == "n=0")]
852
+ else:
853
+ m = ref[(ref.panel == p) & (ref.series == r["series"])]
854
+ assert len(m) == 1, (r, len(m))
855
+ assert abs(float(m.value.iloc[0]) - float(r["value"])) < 1e-5, (r, float(m.value.iloc[0]))
856
+ n += 1
857
+ return n
858
+
859
+
860
+ def main():
861
+ calls, deg_call, lens = load()
862
+ st = load_steps()
863
+ fold_sizes = load_fold_sizes()
864
+ fewshot = load_fewshot()
865
+ budget, budget_log = find_cal_budget(calls, deg_call)
866
+ scs, sc_log = find_scsemi(calls)
867
+ rows, steprows = [], []
868
+ fig_realism(calls, lens, st, fold_sizes, rows, steprows, budget, scs)
869
+ rows_sig = []
870
+ fig_signal(calls, deg_call, lens, st, rows_sig, budget, scs)
871
+ n_checked = check_against_fig3(rows + rows_sig)
872
+ pd.DataFrame(rows).to_csv(DATADIR / "sec08_pairs_realism.csv", index=False, float_format="%.6g")
873
+ pd.DataFrame(steprows).to_csv(DATADIR / "sec08_selected_steps.csv", index=False, float_format="%.6g")
874
+ st.to_csv(DATADIR / "sec08_selected_steps_per_fold.csv", index=False)
875
+ pd.DataFrame(rows_sig).to_csv(DATADIR / "sec08_pairs_signal.csv", index=False, float_format="%.6g")
876
+ nums = slide_numbers(calls, deg_call, st, fold_sizes, fewshot, budget, budget_log, scs, sc_log, lens)
877
+ nums.to_csv(DATADIR / "sec08_slide_numbers.csv", index=False)
878
+ print(nums.to_string(index=False, max_colwidth=70))
879
+ print(f"cross-checked {n_checked} plotted values against fig3_learning_curve.csv")
880
+ brk = [(r["panel"], r["dataset"]) for r in rows + rows_sig if r.get("series") == "zero_shot" and r["y_axis_break"]]
881
+ print(f"y-axis breaks: {brk}")
882
+ print(f"equal-budget calibration scan: arm names with 'cal' and regex {CAL_N_RE.pattern!r}, none of {FT_TAGS}, "
883
+ f"in {PLAN / 'scores'}/<dataset>/**/summary.json")
884
+ for r in budget_log:
885
+ print(f" found {r['dataset']} {r['call']} {r['arm']} (n {r['n']}): {r['note']}")
886
+ if not any(budget[ds] for ds in DSETS):
887
+ print(" NOTE: no equal-budget calibration arms found; only the two x = 0 zero-shot points are drawn.")
888
+ print(f"scSemiProfiler scan: {SR.plan_root()}/scores/<dataset>/{SR.BUDGET_EXP}/pooled* (scsemi_n<n>__raw) and "
889
+ f"{SR.CV_EXP}/pooled* ({SR.CV_ARM}, drawn at 'all')")
890
+ for r in sc_log:
891
+ print(f" found {r['dataset']} {r['call']} {r['arm']} (pairs {r['pairs']}): {r['note']}")
892
+ if not any(scs[ds] for ds in DSETS):
893
+ print(" NOTE: no scSemiProfiler equal-budget or 5-fold calls found; no scSemiProfiler line is drawn.")
894
+
895
+
896
+ if __name__ == "__main__":
897
+ main()
paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec09_cat_curves.py ADDED
@@ -0,0 +1,161 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Section 9 of the 2026-09-30 paper-summary deck: CAT curves (correspondence at the top) of the disease genes
3
+ (added 2026-10-02, user request: a threshold-free DEG comparison with the random expectation drawn).
4
+
5
+ CPU only. Reads plans/paired_finetune_intradataset_20260927/scores_contrast/{fewshot,pooled}_cat.csv
6
+ (tools/contrast_extra.py): per cell type, all tested genes ranked by |limma moderated t| on the observed side and on the
7
+ predicted side; CAT(k) = fraction of the observed top-k genes that are also in the predicted top-k with the same logFC
8
+ sign (Irizarry et al. 2005); chance = k / (2 G) for G genes tested on both sides. Plotted: mean over T / B / Mono / NK;
9
+ 5 donors = mean over the 5 draws of that per-draw mean; 5-fold = the pooled call. The broadcast is the raw real bulk of
10
+ the LoRA arm's condition (same ranking statistic on the input bulk).
11
+
12
+ Outputs (deck folder; DECK_FIGDIR / DECK_OUTDATA override the folders):
13
+ figures/sec09_cat_curves.{png,pdf}
14
+ data/sec09_cat_curves.csv every plotted value with its source
15
+ data/sec09_cat_curves_slide_text.json title, keywords, footnotes (synced through text_source)
16
+ """
17
+ from __future__ import annotations
18
+
19
+ import os
20
+
21
+ os.environ["CUDA_VISIBLE_DEVICES"] = ""
22
+
23
+ import json
24
+ import sys
25
+ from pathlib import Path
26
+
27
+ import numpy as np
28
+ import pandas as pd
29
+
30
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
31
+ "2026-09-30--paper-summary--r00")
32
+ sys.path.insert(0, str(DECK / "tools"))
33
+ import sec09_paired_validation as S9 # noqa: E402 (names, colours, labels; sets the deck rcParams)
34
+ import style # noqa: E402
35
+ import matplotlib.pyplot as plt # noqa: E402
36
+ from matplotlib.lines import Line2D # noqa: E402
37
+
38
+ CX = S9.T / "scores_contrast"
39
+ FIGDIR = Path(os.environ.get("DECK_FIGDIR", str(DECK / "figures")))
40
+ OUTDATA = Path(os.environ.get("DECK_OUTDATA", str(DECK / "data")))
41
+ DIS = S9.DISEASE
42
+ NAME = S9.NAME
43
+ TYPES = ["T cell", "B cell", "Monocyte", "NK cell"]
44
+ FS = style.FS
45
+ FEW = [("zs_raw", "zs_raw"), ("zs_cal", "zs_cal"), ("scsemi5", "scsemi5"), ("lora", "lora5")]
46
+ POOL = [("zs_raw", "zs__raw"), ("zs_cal", "zs__cal"), ("sconly_cal", "pseudo_full__cal"), ("lora", "real_lora__raw")]
47
+ LORA_ARM = {"fewshot": "lora5", "pooled": "real_lora__raw"}
48
+
49
+
50
+ def curves(cat: pd.DataFrame, design: str):
51
+ """{(dataset, key): Series over k} for generated arms, 'broadcast' and 'chance' (chance of the LoRA arm's lists)."""
52
+ c = cat[cat.celltype.isin(TYPES)].copy()
53
+ c["kind"] = np.where(c.predictor.str.startswith("generated:"), "gen", "bc")
54
+ out = {}
55
+ arms = FEW if design == "fewshot" else POOL
56
+ for ds in DIS:
57
+ d = c[c.dataset == ds]
58
+ for key, arm in arms:
59
+ g = d[(d.arm == arm) & (d.kind == "gen")]
60
+ if g.empty:
61
+ continue
62
+ out[(ds, key)] = g.groupby(["unit", "k"]).cat_same_sign.mean().groupby("k").mean()
63
+ lo = d[d.arm == LORA_ARM[design]]
64
+ out[(ds, "broadcast")] = lo[lo.kind == "bc"].groupby(["unit", "k"]).cat_same_sign.mean().groupby("k").mean()
65
+ out[(ds, "chance")] = lo[lo.kind == "gen"].groupby(["unit", "k"]).chance_same_sign.mean().groupby("k").mean()
66
+ return out
67
+
68
+
69
+ def main() -> int:
70
+ few = curves(pd.read_csv(CX / "fewshot_cat.csv"), "fewshot")
71
+ poo = curves(pd.read_csv(CX / "pooled_cat.csv"), "pooled")
72
+ fig, axs = plt.subplots(2, len(DIS), figsize=(12.3, 5.2), sharex=True,
73
+ gridspec_kw=dict(left=0.105, right=0.995, top=0.90, bottom=0.215, hspace=0.32, wspace=0.28))
74
+ rows = []
75
+ for ri, (lab, cv, keys, src) in enumerate([("5 donors", few, FEW, "fewshot_cat.csv"),
76
+ ("5-fold CV", poo, POOL, "pooled_cat.csv")]):
77
+ for ci, ds in enumerate(DIS):
78
+ ax = axs[ri, ci]
79
+ hi = 0.0
80
+ for key, _ in keys:
81
+ if (ds, key) not in cv:
82
+ continue
83
+ s = cv[(ds, key)]
84
+ ax.plot(s.index, s.values, color=S9.COL[key], lw=2.2 if key == "lora" else 1.6, marker="o", ms=4,
85
+ mec=S9.EDGE, mew=0.5, zorder=4 if key == "lora" else 3)
86
+ hi = max(hi, s.max())
87
+ rows += [dict(design=lab, dataset=ds, series=key, k=int(k), cat=float(v), source=str(CX / src))
88
+ for k, v in s.items()]
89
+ b, ch = cv[(ds, "broadcast")], cv[(ds, "chance")]
90
+ st = S9.REFSTYLE["broadcast"]
91
+ ax.plot(b.index, b.values, ls=st["ls"], color=st["color"], lw=st["lw"], zorder=2)
92
+ ax.plot(ch.index, ch.values, ls=(0, (3, 2)), color=style.INK, lw=1.0, zorder=2)
93
+ hi = max(hi, b.max())
94
+ rows += [dict(design=lab, dataset=ds, series=s_, k=int(k), cat=float(v), source=str(CX / src))
95
+ for s_, ser in (("broadcast", b), ("chance", ch)) for k, v in ser.items()]
96
+ ax.set_xscale("log")
97
+ ax.set_xticks([10, 50, 100, 500], ["10", "50", "100", "500"])
98
+ ax.set_ylim(0, max(0.12, hi * 1.15))
99
+ ax.yaxis.set_major_locator(plt.MaxNLocator(nbins=4))
100
+ ax.tick_params(labelsize=FS - 3)
101
+ if ri == 0:
102
+ ax.set_title(S9.ROWNAME[ds], fontsize=FS - 1, pad=6)
103
+ if ri == 1:
104
+ ax.set_xlabel("top-k genes (k)", fontsize=FS - 2)
105
+ axs[ri, 0].annotate(lab, xy=(0, 0.5), xycoords="axes fraction", xytext=(-58, 0), textcoords="offset points",
106
+ ha="right", va="center", fontsize=FS, fontweight="bold")
107
+ axs[ri, 0].set_ylabel("CAT, same sign", fontsize=FS - 3)
108
+ hk = [("zs_raw", S9.LAB["zs_raw"]), ("zs_cal", S9.LAB["zs_cal"]), ("scsemi5", "scSemiProfiler (5 donors)"),
109
+ ("sconly_cal", "sc-only fine-tune (5-fold)"), ("lora", "LoRA")]
110
+ handles = [Line2D([0], [0], color=S9.COL[k], lw=2.0, marker="o", ms=5, mec=S9.EDGE, mew=0.5, label=l) for k, l in hk]
111
+ handles += [S9.refh("broadcast"), Line2D([0], [0], ls=(0, (3, 2)), color=style.INK, lw=1.0, label="Chance (k / 2G)")]
112
+ fig.legend(handles=handles, loc="lower center", ncol=4, bbox_to_anchor=(0.53, -0.01), fontsize=FS - 3,
113
+ frameon=False, columnspacing=1.4, handlelength=2.2)
114
+ style.save(fig, "sec09_cat_curves", FIGDIR)
115
+ d = pd.DataFrame(rows)
116
+ OUTDATA.mkdir(exist_ok=True)
117
+ d.to_csv(OUTDATA / "sec09_cat_curves.csv", index=False, float_format="%.6g")
118
+
119
+ # slide text, from the plotted values at k = 100
120
+ def at(cv, ds, key, k=100):
121
+ s = cv.get((ds, key))
122
+ return np.nan if s is None or k not in s.index else float(s.loc[k])
123
+
124
+ top_few = [ds for ds in DIS if at(few, ds, "lora") >= max(at(few, ds, k) for k, _ in FEW if k != "lora")]
125
+ top_poo = [ds for ds in DIS if at(poo, ds, "lora") >= max(at(poo, ds, k) for k, _ in POOL if k != "lora")]
126
+ bc_few = [ds for ds in DIS if at(few, ds, "broadcast") > at(few, ds, "lora")]
127
+ kw = [f"LoRA top model: {len(top_few)}/4 (5 donors), {len(top_poo)}/4 (5-fold)",
128
+ (f"Broadcast above LoRA: {S9.names(bc_few)}" if bc_few else "LoRA above broadcast in every cohort"),
129
+ f"Chance at k = 100: {min(at(few, ds, 'chance') for ds in DIS):.3f}–{max(at(few, ds, 'chance') for ds in DIS):.3f}"]
130
+ for k in kw:
131
+ if len(k) > 52:
132
+ raise ValueError(f"keyword too long: {k!r}")
133
+ vals = "; ".join(
134
+ f"{NAME[ds]} CAT100 5 donors LoRA {at(few, ds, 'lora'):.3f} / scSemi {at(few, ds, 'scsemi5'):.3f} / "
135
+ f"calibration {at(few, ds, 'zs_cal'):.3f} / raw {at(few, ds, 'zs_raw'):.3f} / broadcast {at(few, ds, 'broadcast'):.3f}"
136
+ f" / chance {at(few, ds, 'chance'):.3f}; 5-fold LoRA {at(poo, ds, 'lora'):.3f} / broadcast {at(poo, ds, 'broadcast'):.3f}"
137
+ for ds in DIS)
138
+ full = ("Correspondence at the top (Irizarry et al. 2005): per cell type, every gene tested on both sides is ranked by "
139
+ "|limma-voom moderated t| (case vs control, same donor x type pseudobulks as the DEG panels); CAT(k) = share of "
140
+ "the observed top-k genes that are also in the generated top-k with the same logFC sign. Mean over T / B / Mono "
141
+ "/ NK; 5 donors = mean over 5 draws (scSemiProfiler: its 25 draws); 5-fold = pooled call. Broadcast = the "
142
+ "input real bulk ranked the same way. Chance = k / (2G), G = genes tested on both sides ("
143
+ f"{min(at(few, ds, 'chance') for ds in DIS):.3f}–{max(at(few, ds, 'chance') for ds in DIS):.3f} at k = 100). "
144
+ "No significance threshold, so cohorts where few genes pass FDR (Giroux, Ji) still get a curve. "
145
+ "Rank-biased overlap (Webber et al. 2010, p = 0.98) gives the same order: scores_contrast/{fewshot,pooled}_rbo.csv. "
146
+ "Giroux: sex-linked genes excluded. " + vals + ".")
147
+ txt = {"title": "Disease genes at every list length (CAT)", "layout": "full",
148
+ "figures": [str(FIGDIR / "sec09_cat_curves.png")], "keywords": kw,
149
+ "footnote_short": "Same-sign overlap of observed and generated top-k genes per cell type; no FDR cut-off.",
150
+ "footnote": full,
151
+ "numbers": [{"value": vals, "source": str(CX / "fewshot_cat.csv") + "; " + str(CX / "pooled_cat.csv")}]}
152
+ (OUTDATA / "sec09_cat_curves_slide_text.json").write_text(json.dumps(
153
+ {"section": "09-cat", "scripts": [str(Path(__file__).resolve())],
154
+ "generated_from": "tools/sec09_cat_curves.py (rerun to refresh; do not edit by hand)", "slides": [txt]},
155
+ indent=1, ensure_ascii=False))
156
+ print("\n".join(kw))
157
+ return 0
158
+
159
+
160
+ if __name__ == "__main__":
161
+ sys.exit(main())
paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec09_extra_metrics.py ADDED
@@ -0,0 +1,738 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Section 9 extras of the 2026-09-30 paper-summary deck: realism / diversity metrics beyond precision and coverage
3
+ (classifier AUC, MMD^2, scSemiProfiler's E_N, precision/coverage at k = 3 / 5 / 10).
4
+
5
+ CPU only: reads the per-unit outputs of plans/paired_finetune_intradataset_20260927/tools/extra_metrics.py
6
+ (scores_extra/<ds>/{fewshot_n5/draw<j>, pooled}/{metrics.csv, en.csv, manifest.json}) and draws slide figures.
7
+ No torch, no CUDA, no scoring. The headline definitions are the collector's (tools/collect_extra_metrics.py,
8
+ scores_extra/README.md) and every value is checked against scores_extra/{fewshot,pooled}_headline.csv:
9
+ classifier AUC (kNN, RF), 1-NN accuracy, MMD^2 real side R2 (held-out real cells), no depth matching;
10
+ control = real vs real, R2 vs R3
11
+ E_N all cells, squared L2 (their code); control = within-sample half
12
+ split; undefined (UB <= LB) -> left out of means, ranks last
13
+ precision / coverage at k = 3, 5, 10 the scorer's space (real side R1); control = R1 vs R2
14
+
15
+ Outputs (deck folder; DECK_FIGDIR / DECK_OUTDATA override the folders, used by the synthetic test):
16
+ figures/sec09_extra_fewpair.{png,pdf} main slide: 5 donors, kNN AUC / MMD^2 / E_N per cohort
17
+ figures/sec09_extra_fivefold.{png,pdf} section 9: the same for the 5-fold pooled design
18
+ figures/sec09_extra_ksens.{png,pdf} section 9: precision / coverage at k = 3, 5, 10 (5 donors)
19
+ data/sec09_extra_{fewpair,fivefold,ksens}.csv every plotted value with its source file
20
+ data/sec09_extra_scsemi_status.csv scSemiProfiler CV / equal-budget extra-metric units found or not
21
+ data/sec09_extra_quoted_numbers.csv quoted numbers (flat)
22
+ data/sec09_extra_slide_text.json titles, keywords, footnotes, quoted numbers (synced into
23
+ data/slides_spec.json by tools/sync_sec09_text.py)
24
+
25
+ scSemiProfiler with all training pairs (5-fold CV, arm scsemi__raw): drawn in the 5-fold figure as its own bar when an
26
+ extra-metric unit with that set exists (scores_extra/<ds>/pooled/ itself, or below scores_extra/<ds>/scsemi_cv_20261002/,
27
+ see tools/scsemi_results.py) for the same donors and reference cells; otherwise a note is printed and nothing is drawn.
28
+ Equal-budget units (scsemi_n<n>__raw) are only listed in the status CSV.
29
+ """
30
+ from __future__ import annotations
31
+
32
+ import os
33
+
34
+ os.environ["CUDA_VISIBLE_DEVICES"] = "" # plotting only
35
+
36
+ import json
37
+ import sys
38
+ from pathlib import Path
39
+
40
+ import numpy as np
41
+ import pandas as pd
42
+
43
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
44
+ "2026-09-30--paper-summary--r00")
45
+ sys.path.insert(0, str(DECK / "tools"))
46
+ import sec09_paired_validation as S9 # noqa: E402 (shared section 9 drawing helpers; sets the deck rcParams)
47
+ import scsemi_results as SR # noqa: E402
48
+ import style # noqa: E402
49
+ import matplotlib.pyplot as plt # noqa: E402
50
+ from matplotlib.lines import Line2D # noqa: E402
51
+ from matplotlib.patches import Patch # noqa: E402
52
+
53
+ T = S9.T
54
+ X = T / "scores_extra"
55
+ FIGDIR = Path(os.environ.get("DECK_FIGDIR", str(DECK / "figures")))
56
+ OUTDATA = Path(os.environ.get("DECK_OUTDATA", str(DECK / "data")))
57
+ SCRIPT = DECK / "tools" / "sec09_extra_metrics.py"
58
+ ORDER, NAME, ROWNAME = S9.ORDER, S9.NAME, S9.ROWNAME
59
+ FS, SUB, EDGE = S9.FS, S9.SUB, S9.EDGE
60
+
61
+ # arm keys (deck colours / labels from sec09) -> set names in scores_extra
62
+ FEW_SETS = {"zs_raw": "zs_raw", "zs_cal": "zs_cal", "scsemi5": "scsemi5", "lora": "lora5", "pseudo": "zs_pseudo"}
63
+ POOL_SETS = {"zs_raw": "zs__raw", "zs_cal": "zs__cal", "sconly_cal": "pseudo_full__cal", "scsemi_all": SR.CV_ARM,
64
+ "lora": "real_lora__raw", "pseudo": "zs__pseudo"}
65
+ COL = {**S9.COL, "scsemi_all": style.ARM["scsemi"]}
66
+ LAB = {**S9.LAB, "scsemi_all": SR.LABEL_CV}
67
+ # headline metrics (collector's HEADLINE): column, short name, direction (0: closer to 0.5, -1 lower, +1 higher), space
68
+ TWO = [("c2st_knn_auc", "kNN AUC", 0), ("c2st_rf_auc", "RF AUC", 0), ("nn1_acc", "1-NN accuracy", 0),
69
+ ("mmd2_bw1", "MMD² (σ = m)", -1), ("mmd2_sum", "MMD² (σ sum)", -1)]
70
+ EN = [("en_all_sq", "E_N (all cells)", -1)]
71
+ PC = [(f"{q}_k{k}", f"{q} k{k}", 1) for k in (3, 5, 10) for q in ("precision", "coverage")]
72
+ HEAD = TWO + EN + PC
73
+ DIRS = {c: s for c, _, s in HEAD}
74
+ SHORT = {c: n for c, n, _ in HEAD}
75
+ # drawn columns of the two realism figures
76
+ PANELS = [("c2st_knn_auc", "Classifier AUC (kNN) ↓"), ("mmd2_bw1", "MMD² ↓"), ("en_all_sq", "scSemiProfiler E_N ↓ (log)")]
77
+ CTRL = dict(ls=(0, (6, 2, 1.5, 2)), color="#7A7A7A", lw=1.8, label="Real vs real (same samples)")
78
+ KS = (3, 5, 10)
79
+ NUMS = {k: [] for k in "abc"}
80
+
81
+
82
+ def num(slide, value, source):
83
+ NUMS[slide].append({"value": str(value), "source": str(source)})
84
+
85
+
86
+ # ------------------------------------------------------------------------------------------
87
+ # Loading
88
+ # ------------------------------------------------------------------------------------------
89
+ def unit_values(u: Path) -> dict:
90
+ """set -> {metric: value} in the headline spaces of one extra-metric unit; 'control' = the real-vs-real rows."""
91
+ m = pd.read_csv(u / "metrics.csv")
92
+ e = pd.read_csv(u / "en.csv")
93
+ raw = m[m["mode"] == "raw"]
94
+ out = {}
95
+ for s in sorted(set(raw["set"])):
96
+ r2 = raw[(raw["set"] == s) & (raw.real_side == "R2")]
97
+ r1 = raw[(raw["set"] == s) & (raw.real_side == "R1")]
98
+ if len(r2) > 1 or len(r1) > 1:
99
+ raise ValueError(f"{u}: several raw rows for set {s}")
100
+ d = {c: (float(r2[c].iloc[0]) if len(r2) else np.nan) for c, _, _ in TWO}
101
+ d.update({c: (float(r1[c].iloc[0]) if len(r1) else np.nan) for c, _, _ in PC})
102
+ en = e[(e["set"] == s) & (e.cellset == "all") & (e.distance == "sq")]
103
+ if len(en) > 1:
104
+ raise ValueError(f"{u}: several E_N rows for set {s}")
105
+ ok = bool(len(en)) and float(en.ub.iloc[0]) > float(en.lb.iloc[0])
106
+ d["en_all_sq"] = float(en.en.iloc[0]) if ok else np.nan
107
+ d["en_all_sq_undefined"] = bool(len(en)) and not ok
108
+ out[s] = d
109
+ ctrl = {c: out["real_R3"][c] for c, _, _ in TWO}
110
+ ctrl.update({c: out["real_R2"][c] for c, _, _ in PC + EN})
111
+ ctrl["en_all_sq_undefined"] = False
112
+ out["control"] = ctrl
113
+ return out
114
+
115
+
116
+ def manifest(u: Path) -> dict:
117
+ p = u / "manifest.json"
118
+ return json.loads(p.read_text()) if p.is_file() else {}
119
+
120
+
121
+ def load_fewpair():
122
+ """Long table: dataset, draw, arm (deck key or 'control'), metric, value, undefined, source."""
123
+ rows, info = [], {}
124
+ for ds in ORDER:
125
+ units = [d for d in sorted((X / ds / "fewshot_n5").glob("draw*")) if (d / "manifest.json").is_file()]
126
+ few_min = []
127
+ for u in units:
128
+ j = int(u.name.removeprefix("draw"))
129
+ mf_ = manifest(u)
130
+ sj = T / "scores" / ds / "fewshot_n5" / f"draw{j}" / "summary.json"
131
+ s = json.loads(sj.read_text())
132
+ if set(map(str, mf_["donors"])) != set(map(str, s["donors"])):
133
+ raise ValueError(f"{u}: scored donors differ from {sj}")
134
+ if mf_["reference_sha256"] != s["reference"]["reference_sha256"]:
135
+ raise ValueError(f"{u}: reference differs from {sj}")
136
+ few_min.append({"dataset": ds, "arm": "lora", "draw": j, "n_scored": int(s["n_donors"])})
137
+ vals = unit_values(u)
138
+ for key in list(FEW_SETS) + ["control"]:
139
+ sname = FEW_SETS.get(key, "control")
140
+ if sname not in vals:
141
+ continue
142
+ for c, _, _ in HEAD:
143
+ rows.append({"dataset": ds, "draw": j, "arm": key, "set": sname, "metric": c,
144
+ "value": vals[sname][c],
145
+ "undefined": bool(vals[sname].get(f"{c}_undefined", False)),
146
+ "source": str(u / ("en.csv" if c.startswith("en_") else "metrics.csv"))})
147
+ info[ds] = S9.draw_info(pd.DataFrame(few_min), ds)
148
+ return pd.DataFrame(rows), info
149
+
150
+
151
+ def load_pooled():
152
+ """dataset -> {arm key: {metric: value}}, plus the scSemiProfiler lookup log."""
153
+ out, log = {}, []
154
+ for ds in ORDER:
155
+ u = X / ds / "pooled"
156
+ vals = unit_values(u)
157
+ ref = manifest(u)
158
+ d = {}
159
+ for key, sname in POOL_SETS.items():
160
+ if sname in vals:
161
+ d[key] = {**vals[sname], "source": str(u)}
162
+ d["control"] = {**vals["control"], "source": str(u)}
163
+ # scSemiProfiler, all training pairs: in the pooled unit itself, else below scores_extra/<ds>/scsemi_cv_20261002/
164
+ if "scsemi_all" in d:
165
+ log.append(dict(dataset=ds, design="cv", unit=str(u), set=SR.CV_ARM, status="used", reason="in pooled unit"))
166
+ for cu in SR.extra_units(ds, SR.CV_EXP):
167
+ cv = unit_values(cu)
168
+ if SR.CV_ARM not in cv:
169
+ log.append(dict(dataset=ds, design="cv", unit=str(cu), set="", status="ignored",
170
+ reason=f"no set {SR.CV_ARM}"))
171
+ continue
172
+ cm = manifest(cu)
173
+ why = []
174
+ if cm.get("donors") is not None and set(map(str, cm["donors"])) != set(map(str, ref["donors"])):
175
+ why.append("donor set differs from the pooled unit")
176
+ if cm.get("reference_sha256") is not None and cm["reference_sha256"] != ref["reference_sha256"]:
177
+ why.append("reference differs from the pooled unit")
178
+ if "scsemi_all" in d:
179
+ why.append("already taken from an earlier unit")
180
+ if why:
181
+ log.append(dict(dataset=ds, design="cv", unit=str(cu), set=SR.CV_ARM, status="rejected",
182
+ reason="; ".join(why)))
183
+ continue
184
+ d["scsemi_all"] = {**cv[SR.CV_ARM], "source": str(cu)}
185
+ log.append(dict(dataset=ds, design="cv", unit=str(cu), set=SR.CV_ARM, status="used",
186
+ reason="no manifest: donors not checked" if not cm else ""))
187
+ for bu in SR.extra_units(ds, SR.BUDGET_EXP):
188
+ for s in sorted(unit_values(bu)):
189
+ if SR.BUDGET_RE.match(s):
190
+ log.append(dict(dataset=ds, design="budget", unit=str(bu), set=s, status="listed only",
191
+ reason="equal-budget units are not drawn"))
192
+ out[ds] = d
193
+ return out, pd.DataFrame(log, columns=["dataset", "design", "unit", "set", "status", "reason"])
194
+
195
+
196
+ def check_headline(few: pd.DataFrame, pooled: dict):
197
+ """Every value equals the collector's headline tables (few-pair: mean and n over draws; pooled: the value)."""
198
+ n = 0
199
+ hf = pd.read_csv(X / "fewshot_headline.csv")
200
+ for r in hf.itertuples():
201
+ key = "control" if r.set == "control" else {v: k for k, v in FEW_SETS.items()}[r.set]
202
+ for c, _, _ in HEAD:
203
+ x = few[(few.dataset == r.dataset) & (few.arm == key) & (few.metric == c) & ~few.undefined]["value"]
204
+ want = getattr(r, c)
205
+ if int(getattr(r, f"{c}_n")) != len(x) or abs(float(x.mean()) - want) > 1e-9:
206
+ raise ValueError(f"few-pair {r.dataset} {r.set} {c}: {x.mean()} (n {len(x)}) != headline {want}")
207
+ n += 1
208
+ hp = pd.read_csv(X / "pooled_headline.csv")
209
+ for r in hp.itertuples():
210
+ key = "control" if r.set == "control" else {v: k for k, v in POOL_SETS.items()}[r.set]
211
+ for c, _, _ in HEAD:
212
+ v, want = pooled[r.dataset][key][c], getattr(r, c)
213
+ if not (abs(v - want) <= 1e-9 or (np.isnan(v) and np.isnan(want))):
214
+ raise ValueError(f"pooled {r.dataset} {r.set} {c}: {v} != headline {want}")
215
+ n += 1
216
+ return n
217
+
218
+
219
+ # ------------------------------------------------------------------------------------------
220
+ # Drawing
221
+ # ------------------------------------------------------------------------------------------
222
+ def hbars_base(ax, arms, vals_of, base, seed=0, dots=True, na_text=None):
223
+ """S9.hbars with bars starting at `base` (0.5 for AUC, the axis floor for a log axis)."""
224
+ out = {}
225
+ for i, arm in enumerate(arms):
226
+ vals = np.asarray([v for v in vals_of(arm) if not np.isnan(v)], float)
227
+ if len(vals) == 0:
228
+ ax.text(0.01, i, (na_text or {}).get(arm, "not run"), transform=ax.get_yaxis_transform(), va="center",
229
+ fontsize=FS - 3, color=SUB)
230
+ out[arm] = (np.nan, np.nan, 0)
231
+ continue
232
+ m = float(vals.mean())
233
+ sd = float(vals.std(ddof=1)) if len(vals) > 1 else 0.0
234
+ ax.barh(i, m - base, left=base, height=S9.BAR_H, color=COL[arm], edgecolor=EDGE, linewidth=0.6, zorder=2)
235
+ if dots and len(vals) > 1:
236
+ lo = max(m - sd, base) if ax.get_xscale() == "log" else m - sd
237
+ ax.errorbar(m, i, xerr=[[m - lo], [sd]], fmt="none", ecolor="#111111", elinewidth=1.0, capsize=3,
238
+ capthick=1.0, zorder=4)
239
+ ax.scatter(vals, i + S9.jitter(len(vals), seed + i), s=16, facecolor="white", edgecolor="#111111",
240
+ linewidth=0.7, zorder=5, clip_on=False)
241
+ out[arm] = (m, sd, len(vals))
242
+ ax.set_ylim(len(arms) - 0.5, -0.5)
243
+ ax.set_yticks([])
244
+ return out
245
+
246
+
247
+ def vline(ax, x, style_, na):
248
+ if x is None or np.isnan(x):
249
+ return
250
+ ax.plot([x, x], [-0.5, na - 0.5], ls=style_["ls"], color=style_["color"], lw=style_["lw"], zorder=3,
251
+ solid_capstyle="butt")
252
+
253
+
254
+ def ctrl_handle():
255
+ return Line2D([0], [0], ls=CTRL["ls"], color=CTRL["color"], lw=CTRL["lw"], label=CTRL["label"])
256
+
257
+
258
+ def patch(key, label=None):
259
+ return Patch(facecolor=COL[key], edgecolor=EDGE, linewidth=0.6, label=label or LAB[key])
260
+
261
+
262
+ def nice_log_limits(vals):
263
+ v = [x for x in vals if x > 0 and not np.isnan(x)]
264
+ lo = max([c for c in (0.01, 0.02, 0.03, 0.05, 0.1, 0.2, 0.5) if c <= min(v) / 1.3] or [0.005])
265
+ hi = min([c for c in (2, 5, 10, 20, 50, 100, 200, 500, 1000) if c >= max(v) * 1.3] or [max(v) * 2])
266
+ return lo, hi
267
+
268
+
269
+ def axis_setup(axs_col, metric, allv, label):
270
+ """Shared x scale of one metric column; returns the bar base."""
271
+ if metric.startswith("c2st") or metric.startswith("nn1"):
272
+ lo = min(0.45, np.floor(min(allv) * 20) / 20)
273
+ S9.shared_x(axs_col, lo, 1.0, label, [0.5, 0.75, 1.0])
274
+ for ax in axs_col: # bars start at 0.5 (chance); the real-vs-real line sits there, so no spine at lo
275
+ ax.spines["left"].set_visible(False)
276
+ return 0.5
277
+ if metric.startswith("mmd"):
278
+ hi = np.ceil(max(allv) * 1.08 / 0.05) * 0.05
279
+ lo = min(-0.02 * hi, min(allv) - 0.01 * hi)
280
+ S9.shared_x(axs_col, lo, hi, label, [round(t, 2) for t in np.arange(0, hi + 1e-9, 0.1)])
281
+ for ax in axs_col:
282
+ ax.spines["left"].set_visible(False)
283
+ ax.axvline(0, color="#555555", lw=0.8, zorder=1)
284
+ return 0.0
285
+ lo, hi = nice_log_limits(allv)
286
+ for ax in axs_col:
287
+ ax.set_xscale("log")
288
+ ticks = [t for t in (0.01, 0.1, 1, 10, 100, 1000) if lo <= t <= hi]
289
+ S9.shared_x(axs_col, lo, hi, label, ticks)
290
+ for ax in axs_col:
291
+ ax.set_xticklabels([f"{t:g}" for t in ticks])
292
+ ax.xaxis.set_minor_locator(plt.NullLocator())
293
+ return lo
294
+
295
+
296
+ def realism_figure(name, arms, vals_of, ref_of, row_subs, legend_handles, dots, na_text=None, header=None):
297
+ """rows = cohorts, columns = PANELS; vals_of(ds, arm, metric) -> list; ref_of(ds, kind, metric) -> float."""
298
+ leg_rows = -(-len(legend_handles) // 3)
299
+ fig, axs = S9.grid(len(ORDER), len(PANELS), style.FULL, left=S9.LEFT_IN, right=0.25, top=0.45,
300
+ bottom=0.65 + 0.30 * leg_rows, hspace=0.22, wspace=0.12)
301
+ rows = []
302
+ for j, (mk, lab) in enumerate(PANELS):
303
+ allv = [v for ds in ORDER for a in arms for v in vals_of(ds, a, mk) if not np.isnan(v)]
304
+ allv += [ref_of(ds, k, mk) for ds in ORDER for k in ("control", "pseudo")]
305
+ allv = [v for v in allv if not np.isnan(v)]
306
+ base = axis_setup(axs[:, j], mk, allv, lab)
307
+ for i, ds in enumerate(ORDER):
308
+ ax = axs[i, j]
309
+ hbars_base(ax, arms, lambda a: vals_of(ds, a, mk), base, seed=17 * i + j, dots=dots,
310
+ na_text=(na_text or {}).get(ds))
311
+ vline(ax, ref_of(ds, "control", mk), CTRL, len(arms))
312
+ vline(ax, ref_of(ds, "pseudo", mk), S9.REFSTYLE["pseudo"], len(arms))
313
+ for a in arms:
314
+ for v in vals_of(ds, a, mk):
315
+ rows.append({"figure": name, "dataset": ds, "metric": mk, "series": a, "value": v})
316
+ for k in ("control", "pseudo"):
317
+ rows.append({"figure": name, "dataset": ds, "metric": mk, "series": f"ref_{k}",
318
+ "value": ref_of(ds, k, mk)})
319
+ for i, ds in enumerate(ORDER):
320
+ S9.row_label(axs[i, 0], ROWNAME[ds], row_subs(ds))
321
+ if header:
322
+ S9.label_header(axs[0, 0], header)
323
+ S9.legend_bottom(fig, legend_handles, ncol=3)
324
+ S9.check_inside(fig, name)
325
+ style.save(fig, name, FIGDIR)
326
+ return rows
327
+
328
+
329
+ # ------------------------------------------------------------------------------------------
330
+ # Figures
331
+ # ------------------------------------------------------------------------------------------
332
+ FEW_ARMS = ["zs_raw", "zs_cal", "scsemi5", "lora"]
333
+
334
+
335
+ def few_vals(few, ds, arm, mk):
336
+ s = few[(few.dataset == ds) & (few.arm == arm) & (few.metric == mk)].sort_values("draw")
337
+ return [np.nan if u else v for v, u in zip(s.value, s.undefined)]
338
+
339
+
340
+ def few_mean(few, ds, arm, mk):
341
+ v = [x for x in few_vals(few, ds, arm, mk) if not np.isnan(x)]
342
+ return float(np.mean(v)) if v else np.nan
343
+
344
+
345
+ def fig_fewpair(few, info):
346
+ nd = {info[d]["n_draws"] for d in ORDER}
347
+ per_row = len(nd) > 1
348
+ handles = [patch("zs_raw"), patch("zs_cal"), patch("scsemi5"), patch("lora"), ctrl_handle(), S9.refh("pseudo"),
349
+ S9.dot_handle(None if per_row else next(iter(nd)))]
350
+ return realism_figure(
351
+ "sec09_extra_fewpair", FEW_ARMS, lambda ds, a, mk: few_vals(few, ds, a, mk),
352
+ lambda ds, k, mk: few_mean(few, ds, k, mk), lambda ds: S9.row_subs(info[ds], per_row), handles, dots=True,
353
+ header="pairs per draw")
354
+
355
+
356
+ def fig_fivefold(pooled, arms, tab):
357
+ def vals(ds, a, mk):
358
+ d = pooled[ds].get(a)
359
+ return [np.nan] if d is None else [d[mk]]
360
+
361
+ def ref(ds, k, mk):
362
+ return pooled[ds][k][mk]
363
+
364
+ def subs(ds):
365
+ n, nd = tab[ds]
366
+ return [f"n={n}" + (f" ({nd} donors)" if nd != n else "")]
367
+
368
+ handles = [patch(a, LAB["lora_all"] if a == "lora" else None) for a in arms] + [ctrl_handle(), S9.refh("pseudo")]
369
+ na = {ds: {"scsemi_all": "pending"} for ds in ORDER}
370
+ return realism_figure("sec09_extra_fivefold", arms, vals, ref, subs, handles, dots=False, na_text=na)
371
+
372
+
373
+ def fig_ksens(few):
374
+ fig, axs = plt.subplots(2, len(ORDER), figsize=style.FULL, sharey=True,
375
+ gridspec_kw=dict(left=0.075, right=0.995, top=0.93, bottom=0.25, hspace=0.18,
376
+ wspace=0.10))
377
+ xs = np.arange(len(KS))
378
+ rows = []
379
+ mk_style = {"zs_raw": "o", "zs_cal": "o", "scsemi5": "D", "lora": "o"}
380
+ off = {"zs_raw": -0.09, "zs_cal": -0.03, "scsemi5": 0.03, "lora": 0.09}
381
+ for i, q in enumerate(("coverage", "precision")):
382
+ for j, ds in enumerate(ORDER):
383
+ ax = axs[i, j]
384
+ cv = [few_mean(few, ds, "control", f"{q}_k{k}") for k in KS]
385
+ ax.plot(xs, cv, ls=CTRL["ls"], color=CTRL["color"], lw=CTRL["lw"], marker="s", ms=4, zorder=2)
386
+ for k, v in zip(KS, cv):
387
+ rows.append({"figure": "sec09_extra_ksens", "dataset": ds, "metric": f"{q}_k{k}",
388
+ "series": "control", "value": v, "sd": np.nan})
389
+ for a in FEW_ARMS:
390
+ m = [few_mean(few, ds, a, f"{q}_k{k}") for k in KS]
391
+ sd = [float(np.std([x for x in few_vals(few, ds, a, f"{q}_k{k}") if not np.isnan(x)], ddof=1))
392
+ for k in KS]
393
+ ax.errorbar(xs + off[a], m, yerr=sd, color=COL[a], lw=2.0, marker=mk_style[a], ms=6,
394
+ mec=EDGE, mew=0.6, capsize=2.5, elinewidth=1.0, zorder=4 if a == "lora" else 3)
395
+ for k, v, s in zip(KS, m, sd):
396
+ rows.append({"figure": "sec09_extra_ksens", "dataset": ds, "metric": f"{q}_k{k}",
397
+ "series": a, "value": v, "sd": s})
398
+ ax.set_xticks(xs)
399
+ ax.set_xticklabels([str(k) for k in KS])
400
+ ax.set_xlim(-0.4, len(KS) - 0.6)
401
+ ax.set_ylim(0, 1.05)
402
+ ax.set_yticks([0, 0.5, 1.0])
403
+ if i == 0:
404
+ ax.set_title(ROWNAME[ds], fontsize=FS, pad=6)
405
+ ax.tick_params(axis="x", labelbottom=False)
406
+ if j == 0:
407
+ ax.set_ylabel(f"{q.capitalize()} ↑")
408
+ fig.text(0.535, 0.155, "k (nearest neighbours per ball)", ha="center", va="center", fontsize=FS)
409
+ handles = [Line2D([0], [0], color=COL[a], lw=2.0, marker=mk_style[a], ms=6, mec=EDGE, mew=0.6, label=LAB[a])
410
+ for a in FEW_ARMS] + [Line2D([0], [0], ls=CTRL["ls"], color=CTRL["color"], lw=CTRL["lw"], marker="s",
411
+ ms=4, label="Real vs real (held-out cells)")]
412
+ S9.legend_bottom(fig, handles, ncol=3)
413
+ style.save(fig, "sec09_extra_ksens", FIGDIR)
414
+ return rows
415
+
416
+
417
+ # ------------------------------------------------------------------------------------------
418
+ # Comparisons for the slide text
419
+ # ------------------------------------------------------------------------------------------
420
+ def better(a, b, sign):
421
+ """a better than b (NaN = undefined E_N ranks last)."""
422
+ if np.isnan(a):
423
+ return False
424
+ if np.isnan(b):
425
+ return True
426
+ return (abs(a - 0.5) < abs(b - 0.5)) if sign == 0 else (a > b if sign > 0 else a < b)
427
+
428
+
429
+ def few_wide(few, mk):
430
+ s = few[few.metric == mk].copy()
431
+ s.loc[s.undefined, "value"] = np.nan
432
+ return s.pivot_table(index=["dataset", "draw"], columns="arm", values="value", dropna=False)
433
+
434
+
435
+ def few_compare(few, comps=("scsemi5", "zs_raw", "zs_cal")):
436
+ """Per cohort x comparator x metric: draws where LoRA-5 is better / worse / tied."""
437
+ out = []
438
+ for c, _, sign in HEAD:
439
+ w = few_wide(few, c)
440
+ for ds in ORDER:
441
+ x = w.loc[ds]
442
+ for comp in comps:
443
+ xx = x[["lora", comp]].dropna(how="all")
444
+ nb = sum(better(a, b, sign) for a, b in zip(xx.lora, xx[comp]))
445
+ nw = sum(better(b, a, sign) for a, b in zip(xx.lora, xx[comp]))
446
+ out.append(dict(dataset=ds, comp=comp, metric=c, n=len(xx), n_better=nb, n_worse=nw,
447
+ lora=float(np.nanmean(xx.lora)), other=float(np.nanmean(xx[comp]))))
448
+ return pd.DataFrame(out)
449
+
450
+
451
+ def best_draws(few, mk, arms=FEW_ARMS):
452
+ """Draws where LoRA-5 is best of the arms on one metric."""
453
+ sign = DIRS[mk]
454
+ w = few_wide(few, mk)
455
+ n = 0
456
+ for _, r in w.iterrows():
457
+ n += all(better(r["lora"], r[a], sign) for a in arms if a != "lora")
458
+ return n, len(w)
459
+
460
+
461
+ def fmt_metric(c, v):
462
+ return f"{v:.4f}" if c.startswith("mmd") else (f"{v:.2f}" if c.startswith("en_") else f"{v:.3f}")
463
+
464
+
465
+ def exceptions_text(exc):
466
+ """'vs zero-shot + calibration: Imperial E_N (all cells) 3/5 (1.28 vs 1.22), ...' grouped by comparator / cohort."""
467
+ parts = []
468
+ for comp, g in exc.groupby("comp", sort=True):
469
+ items = []
470
+ for ds in ORDER:
471
+ h = g[g.dataset == ds]
472
+ if len(h):
473
+ items.append(f"{NAME[ds]} " + ", ".join(
474
+ f"{SHORT[r.metric]} {r.n_worse}/{r.n} ({fmt_metric(r.metric, r.lora)} vs "
475
+ f"{fmt_metric(r.metric, r.other)})" for r in h.itertuples()))
476
+ parts.append(f"vs {S9.LAB[comp].lower()}: " + "; ".join(items))
477
+ return " | ".join(parts)
478
+
479
+
480
+ def rng2(v, nd=2):
481
+ v = [x for x in v if not np.isnan(x)]
482
+ a, b = f"{min(v):.{nd}f}", f"{max(v):.{nd}f}"
483
+ return a if a == b else f"{a}–{b}"
484
+
485
+
486
+ # ------------------------------------------------------------------------------------------
487
+ def main():
488
+ FIGDIR.mkdir(parents=True, exist_ok=True)
489
+ OUTDATA.mkdir(parents=True, exist_ok=True)
490
+ few, info = load_fewpair()
491
+ pooled, sclog = load_pooled()
492
+ n_checked = check_headline(few, pooled)
493
+ sclog.to_csv(OUTDATA / "sec09_extra_scsemi_status.csv", index=False)
494
+ tab = {}
495
+ for ds in ORDER:
496
+ dj = json.loads((T / "data" / ds / "fewshot_n5" / "DRAWS.json").read_text())
497
+ n = int(json.loads((T / "scores" / ds / "pooled" / "summary.json").read_text())["n_donors"])
498
+ if n != int(dj["n_usable_rows"]):
499
+ raise ValueError(f"{ds}: pooled n {n} != usable rows")
500
+ tab[ds] = (n, int(dj["n_usable_donors"]))
501
+ has_sc = [ds for ds in ORDER if "scsemi_all" in pooled[ds]]
502
+ arms5 = ["zs_raw", "zs_cal", "sconly_cal"] + (["scsemi_all"] if has_sc else []) + ["lora"]
503
+
504
+ rows_a = fig_fewpair(few, info)
505
+ rows_b = fig_fivefold(pooled, arms5, tab)
506
+ rows_c = fig_ksens(few)
507
+ srcf = f"{X}/<cohort>/fewshot_n5/draw<j>/{{metrics,en}}.csv"
508
+ srcp = f"{X}/<cohort>/pooled/{{metrics,en}}.csv"
509
+ pd.DataFrame(rows_a).assign(source=srcf).to_csv(OUTDATA / "sec09_extra_fewpair.csv", index=False,
510
+ float_format="%.6g")
511
+ pd.DataFrame(rows_b).assign(source=srcp).to_csv(OUTDATA / "sec09_extra_fivefold.csv", index=False,
512
+ float_format="%.6g")
513
+ pd.DataFrame(rows_c).assign(source=srcf).to_csv(OUTDATA / "sec09_extra_ksens.csv", index=False,
514
+ float_format="%.6g")
515
+ slides = []
516
+
517
+ # ---------------- slide a: 5 donors, realism beyond P/C ----------------
518
+ cmp = few_compare(few)
519
+ nb_knn, ntot = best_draws(few, "c2st_knn_auc")
520
+ nb_rf, _ = best_draws(few, "c2st_rf_auc")
521
+ nb_nn1, _ = best_draws(few, "nn1_acc")
522
+ nb_mmd, _ = best_draws(few, "mmd2_bw1")
523
+ nb_en, _ = best_draws(few, "en_all_sq")
524
+ en_sc = cmp[(cmp.comp == "scsemi5") & (cmp.metric == "en_all_sq")]
525
+ en_sc_better, en_sc_n = int(en_sc.n_better.sum()), int(en_sc.n.sum())
526
+ auc_l = [few_mean(few, d, "lora", "c2st_knn_auc") for d in ORDER]
527
+ auc_draws = few[(few.arm == "lora") & (few.metric == "c2st_knn_auc")].value
528
+ kw1 = S9.keyword_or_short(f"Classifier AUC: LoRA-5 best in {nb_knn}/{ntot} draws",
529
+ f"AUC: LoRA-5 best in {nb_knn}/{ntot} draws")
530
+ kw2 = f"E_N: LoRA-5 below scSemi-5 in {en_sc_better}/{en_sc_n} draws"
531
+ kw3 = f"Still separable: LoRA-5 AUC {rng2(auc_l)}"
532
+ kw_a = S9.check_keywords([kw1, kw2, kw3])
533
+ # exceptions over every headline metric (LoRA-5 worse in >= 1 draw)
534
+ exc = cmp[cmp.n_worse > 0].copy()
535
+ exc_comps = sorted(set(exc.comp))
536
+ drawn = {m for m, _ in PANELS}
537
+ exc_drawn = exc[exc.metric.isin(drawn)].sort_values(["n_worse", "dataset"], ascending=[False, True])
538
+ if exc.empty:
539
+ fs_a = "E_N: scSemiProfiler's own error metric. LoRA-5 best of the 4 arms on every metric in every draw."
540
+ elif exc_comps == ["zs_cal"]:
541
+ e0 = exc_drawn.iloc[0] if len(exc_drawn) else exc.sort_values("n_worse", ascending=False).iloc[0]
542
+ nd = 2 if e0.metric.startswith("en_") else 3
543
+ fs_a = (f"E_N: scSemiProfiler's own error metric. Misses only vs calibration, e.g. {NAME[e0.dataset]} "
544
+ f"{SHORT[e0.metric].split(' (')[0]} {e0.lora:.{nd}f} vs {e0.other:.{nd}f}.")
545
+ else:
546
+ fs_a = (f"E_N: scSemiProfiler's own error metric. LoRA-5 behind in {len(exc)} cohort × arm × metric cases; "
547
+ f"see notes.")
548
+ fs_a = S9.check_foot_short(fs_a)
549
+ rf_l = [few_mean(few, d, "lora", "c2st_rf_auc") for d in ORDER]
550
+ ctrl_auc = [few_mean(few, d, "control", "c2st_knn_auc") for d in ORDER]
551
+ ctrl_en = [few_mean(few, d, "control", "en_all_sq") for d in ORDER]
552
+ nn_c = cmp[cmp.metric.isin(["c2st_knn_auc", "c2st_rf_auc", "nn1_acc"] + [f"coverage_k{k}" for k in KS])]
553
+ wins_all = (nn_c.n_better == nn_c.n).all()
554
+ exc_txt = exceptions_text(exc)
555
+ en_means = "; ".join(f"{NAME[d]} {few_mean(few, d, 'scsemi5', 'en_all_sq'):.2f} vs "
556
+ f"{few_mean(few, d, 'lora', 'en_all_sq'):.2f}" for d in ORDER)
557
+ foot_a = (f"Same 5-donor draws as the previous slides; every metric on exactly the scored cells (scores_extra/, "
558
+ f"tools/extra_metrics.py). Real side for AUC and MMD² = held-out real cells of the same samples (R2), "
559
+ f"projected like the generated cells; real vs real = R2 vs R3 (AUC {rng2(ctrl_auc)}). Classifier AUC: "
560
+ f"5-fold CV ROC AUC of a kNN classifier (k = 5) separating real from generated cells, 0.5 = "
561
+ f"indistinguishable; bars start at 0.5. MMD²: unbiased, Gaussian kernel, bandwidth = median distance "
562
+ f"among real cells. E_N: scSemiProfiler's normalized error (Wang et al. 2024, eq. 17–18), their code's "
563
+ f"squared L2 on all cells, per-arm PCA-100; real vs real = within-sample half split "
564
+ f"({rng2(ctrl_en)}); every generated arm is above 1. LoRA-5 best of the 4 arms in {nb_knn}/{ntot} "
565
+ f"draws on kNN AUC, {nb_rf}/{ntot} on RF AUC, {nb_nn1}/{ntot} on 1-NN accuracy, {nb_mmd}/{ntot} on MMD², "
566
+ f"{nb_en}/{ntot} on E_N. "
567
+ + ("LoRA-5 better than scSemi-5, zero-shot and zero-shot + calibration on both AUCs, 1-NN accuracy and "
568
+ "coverage at k = 3, 5, 10 in every draw. " if wins_all else "")
569
+ + f"E_N scSemi-5 vs LoRA-5 (cohort means): {en_means}; LoRA-5 lower in {en_sc_better}/{en_sc_n} draws. "
570
+ f"Draws where LoRA-5 is worse (cohort means in brackets): {exc_txt if len(exc) else 'none'}. "
571
+ f"LoRA-5 AUC per draw "
572
+ f"{auc_draws.min():.2f}–{auc_draws.max():.2f} (kNN), RF cohort means {rng2(rf_l)}: a classifier still "
573
+ f"tells generated from real cells. Scores: scores_extra/<cohort>/fewshot_n5/draw<j>/.")
574
+ S9.check_text(foot_a, "footnote")
575
+ num("a", f"LoRA-5 best of 4 arms (draws): kNN AUC {nb_knn}/{ntot}, RF AUC {nb_rf}/{ntot}, 1-NN {nb_nn1}/{ntot}, "
576
+ f"MMD² {nb_mmd}/{ntot}, E_N {nb_en}/{ntot}", srcf)
577
+ num("a", f"E_N LoRA-5 < scSemi-5 in {en_sc_better}/{en_sc_n} draws; cohort means scSemi-5 vs LoRA-5: {en_means}",
578
+ f"{X}/<cohort>/fewshot_n5/draw<j>/en.csv (cellset all, distance sq)")
579
+ num("a", "LoRA-5 kNN AUC cohort means: " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, auc_l)) +
580
+ f"; per draw {auc_draws.min():.3f}–{auc_draws.max():.3f}", srcf)
581
+ num("a", "real vs real: kNN AUC " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, ctrl_auc)) +
582
+ "; E_N " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, ctrl_en)), srcf)
583
+ num("a", f"LoRA-5 worse than a comparator (draws): {exc_txt if len(exc) else 'none'}", srcf)
584
+ num("a", f"cross-check: {n_checked} cohort × arm × metric values equal scores_extra/{{fewshot,pooled}}_headline.csv",
585
+ f"{X}/fewshot_headline.csv; {X}/pooled_headline.csv")
586
+ slides.append({"title": "5 donors: realism beyond precision/coverage", "layout": "full",
587
+ "figures": [str(FIGDIR / "sec09_extra_fewpair.png")], "keywords": kw_a, "footnote": foot_a,
588
+ "footnote_short": fs_a, "numbers": NUMS["a"]})
589
+
590
+ # ---------------- slide b: 5-fold pooled ----------------
591
+ comps = [a for a in arms5 if a != "lora"]
592
+ first = {}
593
+ for c, _, sign in HEAD:
594
+ first[c] = [ds for ds in ORDER if all(better(pooled[ds]["lora"][c], pooled[ds][a][c], sign)
595
+ for a in comps if a in pooled[ds])]
596
+ n_all = sum(len(v) == len(ORDER) for v in first.values())
597
+ if n_all == len(HEAD):
598
+ kwb1 = f"Every metric: LoRA first in {len(ORDER)}/{len(ORDER)} cohorts"
599
+ else:
600
+ kwb1 = f"LoRA first everywhere on {n_all}/{len(HEAD)} metrics"
601
+ ji = pooled["ji2025_chili"]
602
+ oth = [ji[a]["en_all_sq"] for a in comps if a in ji]
603
+ kwb2 = S9.keyword_or_short(f"Ji whole blood: E_N {ji['lora']['en_all_sq']:.1f} vs {rng2(oth, 1)}",
604
+ f"Ji: E_N {ji['lora']['en_all_sq']:.1f} vs {rng2(oth, 1)}")
605
+ auc_p = [pooled[d]["lora"]["c2st_knn_auc"] for d in ORDER]
606
+ kwb3 = f"Still separable: LoRA AUC {rng2(auc_p)}"
607
+ kw_b = S9.check_keywords([kwb1, kwb2, kwb3])
608
+ fs_b = S9.check_foot_short("Donor-level 5-fold CV, one pooled call per cohort. E_N: scSemiProfiler's own error "
609
+ "metric.")
610
+ lost = {SHORT[c]: [NAME[d] for d in ORDER if d not in v] for c, v in first.items() if len(v) < len(ORDER)}
611
+ sc_txt = (f"scSemiProfiler, 5-fold CV (every training donor of the fold, inner-val included, as "
612
+ f"representatives; arm {SR.CV_ARM}) drawn for {', '.join(NAME[d] for d in has_sc)}; sources: "
613
+ + "; ".join(f"{NAME[d]} {pooled[d]['scsemi_all']['source']}" for d in has_sc) + ". "
614
+ if has_sc else "scSemiProfiler 5-fold CV not available yet (no extra-metric unit with set "
615
+ f"{SR.CV_ARM}). ")
616
+ foot_b = (f"Donor-level 5-fold CV; each pair scored once by the fold model that never trained on its donor (one "
617
+ f"pooled call per cohort, all cross-fitted pairs). Arms as on the 5-fold slide. Metric definitions as on "
618
+ f"the 5-donor realism slide. LoRA first among the {len(comps) + 1} arms in all {len(ORDER)} cohorts on "
619
+ f"{n_all}/{len(HEAD)} headline metrics (kNN and RF AUC, 1-NN accuracy, MMD² at σ = m and summed, E_N all "
620
+ f"cells, precision and coverage at k = 3, 5, 10)"
621
+ + (f"; exceptions: " + "; ".join(f"{k}: {', '.join(v)}" for k, v in lost.items()) if lost else "")
622
+ + f". LoRA kNN AUC " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, auc_p))
623
+ + f"; real vs real " + ", ".join(f"{NAME[d]} {pooled[d]['control']['c2st_knn_auc']:.3f}" for d in ORDER)
624
+ + ". E_N LoRA vs other arms: " + "; ".join(
625
+ f"{NAME[d]} {pooled[d]['lora']['en_all_sq']:.2f} vs {rng2([pooled[d][a]['en_all_sq'] for a in comps if a in pooled[d]])}"
626
+ for d in ORDER)
627
+ + f". {sc_txt}Scores: scores_extra/<cohort>/pooled/.")
628
+ S9.check_text(foot_b, "footnote")
629
+ num("b", f"LoRA first among {len(comps) + 1} arms in all {len(ORDER)} cohorts on {n_all}/{len(HEAD)} metrics", srcp)
630
+ num("b", f"Ji E_N: LoRA {ji['lora']['en_all_sq']:.3f}; " +
631
+ ", ".join(f"{LAB[a]} {ji[a]['en_all_sq']:.3f}" for a in comps if a in ji), srcp)
632
+ num("b", "LoRA kNN AUC (pooled): " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, auc_p)), srcp)
633
+ num("b", "scSemiProfiler, 5-fold CV: " + (", ".join(NAME[d] for d in has_sc) if has_sc else "not available"),
634
+ OUTDATA / "sec09_extra_scsemi_status.csv")
635
+ slides.append({"title": "5-fold: realism beyond precision/coverage", "layout": "full",
636
+ "figures": [str(FIGDIR / "sec09_extra_fivefold.png")], "keywords": kw_b, "footnote": foot_b,
637
+ "footnote_short": fs_b, "numbers": NUMS["b"]})
638
+
639
+ # ---------------- slide c: k sensitivity ----------------
640
+ sets_k = FEW_ARMS + ["control"]
641
+ mono = all(few_mean(few, d, a, f"{q}_k3") <= few_mean(few, d, a, f"{q}_k5") <= few_mean(few, d, a, f"{q}_k10")
642
+ for d in ORDER for a in sets_k for q in ("coverage", "precision"))
643
+ ctrl_c3 = [few_mean(few, d, "control", "coverage_k3") for d in ORDER]
644
+ kwc1 = ("Smaller k lowers every set, real included" if mono else
645
+ f"Real vs real coverage at k = 3: {rng2(ctrl_c3)}")
646
+ cov_all_k = 0
647
+ wc = {k: few_wide(few, f"coverage_k{k}") for k in KS}
648
+ for idx in wc[10].index:
649
+ cov_all_k += all(all(better(wc[k].loc[idx, "lora"], wc[k].loc[idx, a], 1) for a in FEW_ARMS if a != "lora")
650
+ for k in KS)
651
+ kwc2 = f"Coverage: LoRA-5 first at all k, {cov_all_k}/{len(wc[10])}"
652
+ pb = [best_draws(few, f"precision_k{k}")[0] for k in KS]
653
+ kwc3 = f"Precision: LoRA-5 first in {min(pb)}–{max(pb)}/{ntot} draws" if min(pb) != max(pb) else \
654
+ f"Precision: LoRA-5 first in {pb[0]}/{ntot} draws"
655
+ kw_c = S9.check_keywords([kwc1, kwc2, kwc3])
656
+ fs_c = S9.check_foot_short("5 donors, 5 draws per cohort; error bars = SD over draws. k = 10 is the value on the main "
657
+ "slides.")
658
+ # who beats LoRA-5 on precision, per k
659
+ who_n, who_arms = {}, set()
660
+ for k in KS:
661
+ w = few_wide(few, f"precision_k{k}")
662
+ for (d, j), r in w.iterrows():
663
+ b = [a for a in FEW_ARMS if a != "lora" and not better(r["lora"], r[a], 1)]
664
+ if b:
665
+ who_n.setdefault(d, {kk: 0 for kk in KS})[k] += 1
666
+ who_arms.update(b)
667
+ who = ", ".join(f"{NAME[d]} {'/'.join(str(who_n[d][k]) for k in KS)}" for d in ORDER if d in who_n)
668
+ who = (f"{who} draws at k = 3/5/10, beaten by {' or '.join(S9.LAB[a].lower() for a in sorted(who_arms))}"
669
+ if who else "none")
670
+ exp_cov = {}
671
+ for d in ORDER:
672
+ mt = pd.concat([pd.read_csv(u / "metrics.csv") for u in sorted((X / d / "fewshot_n5").glob("draw*"))])
673
+ mt = mt[(mt["set"] == "lora5") & (mt.real_side == "R1") & (mt["mode"] == "raw")]
674
+ exp_cov[d] = "/".join(f"{mt[f'expected_coverage_identical_k{k}'].mean():.2f}" for k in KS)
675
+ exp_cov = (f"{next(iter(exp_cov.values()))} in every cohort" if len(set(exp_cov.values())) == 1
676
+ else "; ".join(f"{NAME[d]} {v}" for d, v in exp_cov.items()))
677
+ same_rank, lora_top = [], []
678
+ for d in ORDER:
679
+ r = {k: sorted([a for a in arms5 if a in pooled[d]], key=lambda a: -pooled[d][a][f"coverage_k{k}"]) for k in KS}
680
+ same_rank.append(r[3] == r[5] == r[10])
681
+ lora_top.append(all(r[k][0] == "lora" for k in KS))
682
+ pooled_rank = (f"{'unchanged' if all(same_rank) else 'changes in ' + ', '.join(NAME[d] for d, x in zip(ORDER, same_rank) if not x)}"
683
+ f"; LoRA first at every k in {sum(lora_top)}/{len(ORDER)} cohorts")
684
+ foot_c = (f"Precision and coverage recomputed with k = 3, 5, 10 nearest-neighbour balls in the scorer's PCA-50 "
685
+ f"(k = 10 reproduces the main-slide values exactly). Means over the 5 draws per cohort; error bars = SD; "
686
+ f"grey = real vs real (R1 vs R2, same samples). Both metrics fall with smaller k for every set "
687
+ f"{'including' if mono else 'but not always'} the real control (real coverage at k = 3: {rng2(ctrl_c3)}), "
688
+ f"so compare arms with the real row, not with 1. Expected coverage of a perfect generator (Naeem et al. "
689
+ f"2020, eq. 9) at k = 3/5/10: {exp_cov}. LoRA-5 first on coverage at every k in "
690
+ f"{cov_all_k}/{len(wc[10])} draws; on precision in {'/'.join(map(str, pb))} of {ntot} draws "
691
+ f"(k = 3/5/10); not first: {who}. 5-fold pooled design (not drawn): "
692
+ f"coverage ranking of the {len(arms5)} arms across k {pooled_rank}. Scores: "
693
+ f"scores_extra/<cohort>/fewshot_n5/draw<j>/metrics.csv.")
694
+ S9.check_text(foot_c, "footnote")
695
+ num("c", f"LoRA-5 first on coverage at k = 3, 5 and 10: {cov_all_k}/{len(wc[10])} draws", srcf)
696
+ num("c", f"LoRA-5 first on precision (draws) at k = 3/5/10: {'/'.join(map(str, pb))} of {ntot}", srcf)
697
+ num("c", "real vs real coverage at k = 3: " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, ctrl_c3)), srcf)
698
+ num("c", f"every set falls with smaller k (cohort means): {mono}", srcf)
699
+ slides.append({"title": "5 donors: precision/coverage at k = 3, 5, 10", "layout": "full",
700
+ "figures": [str(FIGDIR / "sec09_extra_ksens.png")], "keywords": kw_c, "footnote": foot_c,
701
+ "footnote_short": fs_c, "numbers": NUMS["c"]})
702
+
703
+ for s in slides:
704
+ for k in ("title", "footnote", "footnote_short"):
705
+ S9.check_text(s[k], k)
706
+ for n in s["numbers"]:
707
+ S9.check_text(n["value"], "quoted number")
708
+ spec = {"section": "09-extra", "slides": slides, "scripts": [str(SCRIPT)],
709
+ "generated_from": "tools/sec09_extra_metrics.py (rerun to refresh; do not edit by hand)",
710
+ "scsemi_cv_cohorts": [NAME[d] for d in has_sc]}
711
+ (OUTDATA / "sec09_extra_slide_text.json").write_text(json.dumps(spec, indent=1, ensure_ascii=False))
712
+ pd.DataFrame([{"slide": k, "value": n["value"], "source": n["source"]} for k in "abc" for n in NUMS[k]]).to_csv(
713
+ OUTDATA / "sec09_extra_quoted_numbers.csv", index=False)
714
+ for p in [OUTDATA / "sec09_extra_slide_text.json"] + sorted(OUTDATA.glob("sec09_extra_*.csv")):
715
+ m = S9.OFF_STORY.search(p.read_text(encoding="utf-8"))
716
+ if m:
717
+ raise ValueError(f"{p}: off-story text {m.group(0)!r}")
718
+
719
+ print(f"cross-checked {n_checked} values against the collector's headline tables")
720
+ if not has_sc:
721
+ print(f"NOTE: no scSemiProfiler 5-fold extra-metric unit (set {SR.CV_ARM}) under "
722
+ f"{SR.plan_root()}/scores_extra/<ds>/{SR.CV_EXP}/ or in the pooled units; the 5-fold figure has no "
723
+ f"scSemiProfiler row.")
724
+ else:
725
+ print(f"scSemiProfiler, 5-fold CV drawn for: {[NAME[d] for d in has_sc]}")
726
+ for r in sclog.itertuples():
727
+ print(f" scSemiProfiler extra unit {r.dataset} {r.design} {r.set}: {r.status} {r.reason} ({r.unit})")
728
+ for s in slides:
729
+ print(f"\n== {s['title']}")
730
+ for k in s["keywords"]:
731
+ print(" *", k, f"({S9.n_words(k)} words, {len(k)} chars)")
732
+ print(" footnote_short:", s["footnote_short"], f"({len(s['footnote_short'])} chars)")
733
+ print(" footnote:", s["footnote"])
734
+ return 0
735
+
736
+
737
+ if __name__ == "__main__":
738
+ sys.exit(main())
paper-releases/pbisc-diffusion/updates/20261002T085943Z-deck-restructure-contrast-metrics-zeroshot-len/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec09_paired_validation.py ADDED
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