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Archive 4 checkpoints (1-4)

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paper-releases/pbisc-diffusion/updates/20260930T090852Z-summary-deck-final-path-story/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec07_ft_modes.py ADDED
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1
+ """Section 7, slide (a): full FT vs LoRA vs condition-encoder-only vs sc-only FT vs zero-shot,
2
+ plus the compute cost (trainable parameters, wall-clock time per training step).
3
+
4
+ Every arm is conditioned on the real bulk as measured (score arms *__raw): the zero-shot baseline is the
5
+ pretrained model fed real bulk (zs__raw), and the sc-only control is the sc-only fine-tune fed real bulk
6
+ (pseudo_full__raw). The condition-encoder-only arm exists only as real_condenc__raw (fold-0 call).
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+ Accuracy: ImMicro and sepsis, 5-fold cross-fitted, pooled scoring (one call over all donors).
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+ The condition-encoder-only arm exists only in the fold-0 pilot, so the L1 and coverage panels also show
9
+ every arm from the fold-0 scoring call (open diamonds). Metrics are only comparable within one scoring call,
10
+ so filled circles (pooled call) and open diamonds (fold-0 call) are never compared with each other.
11
+ The sepsis-vs-control logFC r is shown for the pooled call only: the fold-0 contrast rests on 5 controls
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+ and the source README calls the per-fold contrast too noisy to use.
13
+
14
+ Compute: time per training step (median over runs), not minutes per run, because runs early-stop at
15
+ different steps (sepsis full 5.75k-20k, LoRA 5.75k-15k). All three modes use batch 256 and validate every
16
+ 250 steps (asserted from RUN.json), so wall seconds / steps_run is a like-for-like per-step cost.
17
+
18
+ Every number is read from the score summaries / RUN.json receipts below. CPU only.
19
+ """
20
+ import json
21
+ import sys
22
+ from pathlib import Path
23
+
24
+ import numpy as np
25
+ import pandas as pd
26
+ from scipy.stats import wilcoxon
27
+
28
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
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+ "2026-09-30--paper-summary--r00")
30
+ sys.path.insert(0, str(DECK / "tools"))
31
+ import style # noqa: E402
32
+ import matplotlib.pyplot as plt # noqa: E402
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+ from matplotlib.lines import Line2D # noqa: E402
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+
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+ PLAN = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/"
36
+ "paired_finetune_intradataset_20260927")
37
+ FIGDIR, DATADIR = DECK / "figures", DECK / "data"
38
+ DATASETS = {"immicro": "ImMicro", "ye2026_sepsis": "Sepsis"}
39
+ CELLTYPES = ["T cell", "B cell", "Monocyte", "NK cell"]
40
+
41
+ # rows top -> bottom: (score arm key, run dir name or None, label, colour)
42
+ ARMS = [
43
+ ("real_full__raw", "real_full", "full FT", style.ARM["full_ft"]),
44
+ ("real_lora__raw", "real_lora", "LoRA FT (r 16)", style.ARM["lora"]),
45
+ ("real_condenc__raw", "real_condenc", "cond.-encoder-only FT", style.ARM["other"]),
46
+ ("pseudo_full__raw", None, "sc-only FT", style.ARM["sconly"]),
47
+ ("zs__raw", None, "zero-shot, real bulk", style.ARM["zs"]),
48
+ ]
49
+ COMPUTE_ARMS = ARMS[:3]
50
+ ZS = "zs__raw"
51
+
52
+
53
+ def fit_lim(vals, lo, hi, step, pad_frac=0.05):
54
+ """Default axis limits, widened (to a multiple of step) only when a value would sit on or past an edge."""
55
+ vals = np.asarray(vals, float)
56
+ pad = pad_frac * (hi - lo)
57
+ if vals.min() - pad < lo:
58
+ lo = round(float(np.floor((vals.min() - pad) / step) * step), 10)
59
+ if vals.max() + pad > hi:
60
+ hi = round(float(np.ceil((vals.max() + pad) / step) * step), 10)
61
+ return lo, hi
62
+
63
+
64
+ def load_call(ds, call):
65
+ root = PLAN / "scores" / ds / call
66
+ summ = json.loads((root / "summary.json").read_text())
67
+ con = pd.read_csv(root / "contrast.csv") if (root / "contrast.csv").exists() else None
68
+ per = pd.read_csv(root / "per_donor.csv")
69
+ return root, summ, con, per
70
+
71
+
72
+ def arm_metrics(ds, call):
73
+ root, summ, con, per = load_call(ds, call)
74
+ rows = []
75
+ for arm, _, label, _ in ARMS:
76
+ if arm not in summ["arms"]:
77
+ continue
78
+ h = summ["headline"][arm]
79
+ r = {"dataset": ds, "call": call, "arm": arm, "label": label, "n_donors": summ["n_donors"],
80
+ "comp_l1": h["comp_l1"], "coverage": h["coverage"], "precision": h["precision"],
81
+ "source_summary": str(root / "summary.json")}
82
+ if con is not None:
83
+ c = con[(con["arm"] == arm) & (con["statistic"] == "mean_cp10k") & con["celltype"].isin(CELLTYPES)]
84
+ assert set(c["celltype"]) == set(CELLTYPES), (ds, call, arm)
85
+ r["logfc_r"] = float(c["r_generated"].mean())
86
+ assert abs(r["logfc_r"] - h["contrast_mean_cp10k_r_gen"]) < 1e-9
87
+ r["n_case"] = int(c["n_case_donors_obs"].iloc[0])
88
+ r["n_control"] = int(c["n_control_donors_obs"].iloc[0])
89
+ r["source_contrast"] = str(root / "contrast.csv")
90
+ rows.append(r)
91
+ return pd.DataFrame(rows), per
92
+
93
+
94
+ def compute_receipts():
95
+ rows = []
96
+ for ds in DATASETS:
97
+ for arm, run, label, _ in COMPUTE_ARMS:
98
+ for f in sorted((PLAN / "runs" / ds).glob(f"fold[0-9]/{run}/RUN.json")):
99
+ d = json.loads(f.read_text())
100
+ rows.append({"dataset": ds, "arm": arm, "label": label, "fold": d["fold"], "mode": d["mode"],
101
+ "lr": d["lr"], "batch_size": d["batch_size"], "eval_every": d["eval_every"],
102
+ "n_trainable": d["trainable"]["n_trainable"],
103
+ "n_total_base": d["trainable"]["n_total_base"],
104
+ "wall_seconds": d["wall_seconds"], "steps_run": d["steps_run"],
105
+ "sec_per_step": d["wall_seconds"] / d["steps_run"],
106
+ "selected_step": d["selected_step"],
107
+ "selected_inner_val_loss": d["selected_inner_val_loss"],
108
+ "pretrained_inner_val_loss": d["pretrained_inner_val_loss"],
109
+ "source_checkpoint": d["source_checkpoint"], "run_json": str(f)})
110
+ return pd.DataFrame(rows)
111
+
112
+
113
+ def main():
114
+ acc, pers = [], {}
115
+ for ds in DATASETS:
116
+ for call in ("pooled", "fold0"):
117
+ df, per = arm_metrics(ds, call)
118
+ acc.append(df)
119
+ pers[(ds, call)] = per
120
+ acc = pd.concat(acc, ignore_index=True)
121
+ # sanity: the condition-encoder arm is only in the fold-0 call; every plotted arm is a real-bulk (raw) arm
122
+ assert not ((acc["call"] == "pooled") & (acc["arm"] == "real_condenc__raw")).any()
123
+ assert acc["arm"].str.endswith("__raw").all()
124
+ # every plotted arm is present in both calls (except cond.-encoder-only, fold-0 call only)
125
+ for (ds, call), g in acc.groupby(["dataset", "call"]):
126
+ want = {a[0] for a in ARMS} - ({"real_condenc__raw"} if call == "pooled" else set())
127
+ assert set(g["arm"]) == want, (ds, call, set(g["arm"]))
128
+
129
+ # paired Wilcoxon of donor-level L1 (uncorrected): full vs LoRA and each fine-tune vs zero-shot (pooled call);
130
+ # cond.-encoder-only vs LoRA / zero-shot (fold-0 call, the only call with that arm)
131
+ wil = []
132
+ tests = [("pooled", "real_full__raw", "real_lora__raw", "full - LoRA"),
133
+ ("pooled", "real_full__raw", ZS, "full - zero-shot"),
134
+ ("pooled", "real_lora__raw", ZS, "LoRA - zero-shot"),
135
+ ("fold0", "real_condenc__raw", "real_lora__raw", "cond.-encoder-only - LoRA"),
136
+ ("fold0", "real_condenc__raw", ZS, "cond.-encoder-only - zero-shot")]
137
+ for ds in DATASETS:
138
+ for call, a, b, name in tests:
139
+ per = pers[(ds, call)]
140
+ for arm in (a, b): # donor mean must reproduce the headline L1
141
+ h = float(acc[(acc["dataset"] == ds) & (acc["call"] == call) & (acc["arm"] == arm)]["comp_l1"].iloc[0])
142
+ assert abs(per.loc[per["arm"] == arm, "comp_l1"].mean() - h) < 1e-9, (ds, call, arm)
143
+ p = per.pivot(index="donor", columns="arm", values="comp_l1")
144
+ x = (p[a] - p[b]).dropna()
145
+ wil.append({"dataset": ds, "call": call, "comparison": f"{name} comp_l1", "arm_a": a, "arm_b": b,
146
+ "mean_diff": float(x.mean()), "frac_donors_a_lower": float((x < 0).mean()),
147
+ "wilcoxon_p": float(wilcoxon(x).pvalue), "n": int(len(x)),
148
+ "source": str(PLAN / "scores" / ds / call / "per_donor.csv")})
149
+ wil = pd.DataFrame(wil)
150
+
151
+ rec = compute_receipts()
152
+ # per-step cost is like-for-like only if batch size and validation cadence match across modes
153
+ assert rec["batch_size"].nunique() == 1 and rec["eval_every"].nunique() == 1
154
+ agg = dict(n_runs=("fold", "size"), folds=("fold", lambda s: ",".join(map(str, sorted(s)))),
155
+ n_trainable=("n_trainable", "first"), n_trainable_nunique=("n_trainable", "nunique"),
156
+ lr=("lr", "first"),
157
+ wall_min_median=("wall_seconds", lambda s: float(np.median(s)) / 60.0),
158
+ wall_min_min=("wall_seconds", lambda s: float(np.min(s)) / 60.0),
159
+ wall_min_max=("wall_seconds", lambda s: float(np.max(s)) / 60.0),
160
+ steps_run_median=("steps_run", "median"), steps_run_min=("steps_run", "min"),
161
+ steps_run_max=("steps_run", "max"),
162
+ sec_per_step_median=("sec_per_step", "median"))
163
+ comp = rec.groupby(["dataset", "arm", "label"]).agg(**agg).reset_index()
164
+ comp_all = rec.groupby(["arm", "label"]).agg(**agg).reset_index().assign(dataset="both")
165
+ comp = pd.concat([comp, comp_all], ignore_index=True)
166
+ assert (comp["n_trainable_nunique"] == 1).all()
167
+ n_full = int(rec.loc[rec["arm"] == "real_full__raw", "n_trainable"].iloc[0])
168
+ n_lora = int(rec.loc[rec["arm"] == "real_lora__raw", "n_trainable"].iloc[0])
169
+ ratio = n_full / n_lora
170
+ sps = comp[comp["dataset"] == "both"].set_index("arm")["sec_per_step_median"]
171
+ step_ratio = float(sps["real_full__raw"] / sps["real_lora__raw"])
172
+
173
+ acc.to_csv(DATADIR / "sec07_ft_modes_accuracy.csv", index=False)
174
+ rec.to_csv(DATADIR / "sec07_ft_modes_compute_runs.csv", index=False)
175
+ comp.to_csv(DATADIR / "sec07_ft_modes_compute.csv", index=False)
176
+ wil.to_csv(DATADIR / "sec07_ft_modes_wilcoxon.csv", index=False)
177
+
178
+ # ------------------------------------------------------------------ figure
179
+ W, H = 12.2, 4.95
180
+ fig = plt.figure(figsize=(W, H))
181
+
182
+ def ax_in(x, y, w, h):
183
+ return fig.add_axes([x / W, y / H, w / W, h / H])
184
+
185
+ ny = len(ARMS)
186
+ ypos = {a[0]: ny - 1 - i for i, a in enumerate(ARMS)}
187
+ x0, gap, ggap = 2.3, 0.36, 0.62
188
+ pw = (W - x0 - ggap - 3 * gap) / 5
189
+ top_y, top_h = 2.3, 2.1
190
+ # (dataset, metric, x label, xlim, ticks, show fold-0 diamonds)
191
+ # last tick sits inside the axis so it never touches the next panel's "0" (logFC r is the last panel).
192
+ # Default limits are widened from the data (fit_lim) so the zero-shot real-bulk point is never clipped;
193
+ # the L1 limit is shared by both cohorts so the two L1 panels stay comparable.
194
+ def vals(ds_list, met, calls):
195
+ s = acc[acc["dataset"].isin(ds_list) & acc["call"].isin(calls)][met]
196
+ return s.dropna().to_numpy(float)
197
+ l1_lim = fit_lim(vals(list(DATASETS), "comp_l1", ["pooled", "fold0"]), 0, 0.5, 0.1)
198
+ cov_lim = fit_lim(vals(list(DATASETS), "coverage", ["pooled", "fold0"]), 0, 1.0, 0.1)
199
+ r_lim = fit_lim(vals(["ye2026_sepsis"], "logfc_r", ["pooled"]), 0, 0.65, 0.05)
200
+ panels = [("immicro", "comp_l1", "L1 ↓", l1_lim, [0, 0.2, 0.4], True),
201
+ ("immicro", "coverage", "coverage ↑", cov_lim, [0, 0.4, 0.8], True),
202
+ ("ye2026_sepsis", "comp_l1", "L1 ↓", l1_lim, [0, 0.2, 0.4], True),
203
+ ("ye2026_sepsis", "coverage", "coverage ↑", cov_lim, [0, 0.4, 0.8], True),
204
+ ("ye2026_sepsis", "logfc_r", "logFC r ↑", r_lim, [0, 0.2, 0.4, 0.6], False)]
205
+ for _, _, _, lim, ticks, _ in panels:
206
+ assert lim[0] <= min(ticks) and max(ticks) < lim[1], (lim, ticks)
207
+ xs = []
208
+ x = x0
209
+ for i in range(len(panels)):
210
+ xs.append(x)
211
+ x += pw + (ggap if i == 1 else gap)
212
+ for i, (ds, met, xlabel, xlim, ticks, show_f0) in enumerate(panels):
213
+ ax = ax_in(xs[i], top_y, pw, top_h)
214
+ for arm, _, label, col in ARMS:
215
+ y = ypos[arm]
216
+ ax.axhline(y, color="#E6E6E6", lw=0.8, zorder=0)
217
+ calls = (("pooled", 0.14, "o", True), ("fold0", -0.14, "D", False)) if show_f0 else \
218
+ (("pooled", 0.0, "o", True),)
219
+ drawn = False
220
+ for call, dy, mk, fill in calls:
221
+ s = acc[(acc["dataset"] == ds) & (acc["call"] == call) & (acc["arm"] == arm)]
222
+ if len(s) == 0:
223
+ continue
224
+ v = float(s[met].iloc[0])
225
+ ax.plot([v], [y + dy], marker=mk, ms=9 if mk == "o" else 7.5, mec=col,
226
+ mfc=col if fill else "white", mew=1.8, ls="none", zorder=3)
227
+ drawn = True
228
+ if not drawn:
229
+ x_txt = max(0.0, (0 - xlim[0]) / (xlim[1] - xlim[0])) + 0.02 # right of the r = 0 line
230
+ ax.text(x_txt, y, "no pooled contrast", ha="left", va="center", fontsize=style.FS - 3,
231
+ color="#6E6E6E", transform=ax.get_yaxis_transform())
232
+ if xlim[0] < 0: # the axis extends below 0 (zero-shot logFC r); mark r = 0
233
+ ax.axvline(0, color="#BDBDBD", lw=0.8, zorder=1)
234
+ ax.set_xlim(*xlim)
235
+ ax.set_xticks(ticks)
236
+ ax.set_xticklabels([f"{t:g}" for t in ticks])
237
+ ax.set_ylim(-0.6, ny - 0.4)
238
+ ax.set_yticks([ypos[a[0]] for a in ARMS])
239
+ if i == 0:
240
+ ax.set_yticklabels([a[2] for a in ARMS], fontsize=style.FS - 1)
241
+ else:
242
+ ax.set_yticklabels([])
243
+ ax.tick_params(axis="y", length=0)
244
+ ax.spines["left"].set_visible(False)
245
+ ax.set_xlabel(xlabel, labelpad=3)
246
+ # dataset headers (group labels, not figure titles)
247
+ im_n = int(acc[(acc["dataset"] == "immicro") & (acc["call"] == "pooled")]["n_donors"].iloc[0])
248
+ im_n0 = int(acc[(acc["dataset"] == "immicro") & (acc["call"] == "fold0")]["n_donors"].iloc[0])
249
+ se = acc[(acc["dataset"] == "ye2026_sepsis") & (acc["call"] == "pooled")].iloc[0]
250
+ se_n0 = int(acc[(acc["dataset"] == "ye2026_sepsis") & (acc["call"] == "fold0")]["n_donors"].iloc[0])
251
+ hy = (top_y + top_h + 0.12) / H
252
+ fig.text((xs[0] + (xs[1] + pw)) / 2 / W, hy, f"ImMicro, healthy (n {im_n})", ha="center", va="bottom",
253
+ fontsize=style.FS, color=style.INK)
254
+ fig.text((xs[2] + (xs[4] + pw)) / 2 / W, hy,
255
+ f"Sepsis {int(se['n_case'])} vs control {int(se['n_control'])} (n {int(se['n_donors'])})",
256
+ ha="center", va="bottom", fontsize=style.FS, color=style.INK)
257
+ for xa, xb in ((xs[0], xs[1] + pw), (xs[2], xs[4] + pw)):
258
+ fig.add_artist(Line2D([xa / W, xb / W], [hy - 0.005, hy - 0.005], color=style.GREY, lw=0.8))
259
+
260
+ # ------------------------------------------------------------------ compute row
261
+ cy, ch = 0.45, 1.0
262
+ carms = COMPUTE_ARMS
263
+ cpos = {a[0]: len(carms) - 1 - i for i, a in enumerate(carms)}
264
+ bx = [x0, x0 + 2.75]
265
+ bw = [2.15, 2.0]
266
+ # trainable params (log)
267
+ ax = ax_in(bx[0], cy, bw[0], ch)
268
+ for arm, _, label, col in carms:
269
+ n = int(comp.loc[comp["arm"] == arm, "n_trainable"].iloc[0])
270
+ ax.barh(cpos[arm], n / 1e6, height=0.62, color=col, lw=0)
271
+ ax.text(n / 1e6 * 1.12, cpos[arm], f"{n / 1e6:.1f} M", va="center", ha="left", fontsize=style.FS - 2)
272
+ ax.set_xscale("log")
273
+ ax.set_xlim(0.5, 400)
274
+ ax.set_xticks([1, 10, 100])
275
+ ax.set_xticklabels(["1 M", "10 M", "100 M"])
276
+ ax.minorticks_off()
277
+ ax.set_yticks([cpos[a[0]] for a in carms])
278
+ ax.set_yticklabels([a[2] for a in carms], fontsize=style.FS - 1)
279
+ ax.tick_params(axis="y", length=0)
280
+ ax.spines["left"].set_visible(False)
281
+ ax.set_ylim(-0.6, len(carms) - 0.4)
282
+ ax.set_xlabel("trainable params (log)", labelpad=3)
283
+ # wall-clock ms per training step, median over all runs of both cohorts
284
+ ax = ax_in(bx[1], cy, bw[1], ch)
285
+ both = comp[comp["dataset"] == "both"].set_index("arm")
286
+ for arm, _, label, col in carms:
287
+ s = both.loc[arm]
288
+ v = 1000.0 * s["sec_per_step_median"]
289
+ ax.barh(cpos[arm], v, height=0.62, color=col, lw=0)
290
+ txt = f"{v:.0f} ms" if s["n_runs"] > 2 else f"{v:.0f} ms (fold 0)"
291
+ ax.text(v + 1.2, cpos[arm], txt, va="center", ha="left", fontsize=style.FS - 2)
292
+ ax.set_xlim(0, 80)
293
+ ax.set_xticks([0, 25, 50])
294
+ ax.set_yticks([cpos[a[0]] for a in carms])
295
+ ax.set_yticklabels([])
296
+ ax.tick_params(axis="y", length=0)
297
+ ax.spines["left"].set_visible(False)
298
+ ax.set_ylim(-0.6, len(carms) - 0.4)
299
+ ax.set_xlabel("wall ms / step", labelpad=3)
300
+
301
+ # legend for the two scoring calls (bottom right)
302
+ lx = (bx[1] + bw[1] + 0.75) / W
303
+ handles = [Line2D([], [], marker="o", ms=9, mfc=style.INK, mec=style.INK, ls="none",
304
+ label=f"5-fold pooled (n {im_n} / {int(se['n_donors'])})"),
305
+ Line2D([], [], marker="D", ms=7.5, mfc="white", mec=style.INK, mew=1.8, ls="none",
306
+ label=f"fold-0 pilot (n {im_n0} / {se_n0})")]
307
+ fig.legend(handles=handles, loc="lower left", bbox_to_anchor=(lx, (cy + 0.42) / H), frameon=False,
308
+ fontsize=style.FS - 2, handletextpad=0.4, labelspacing=0.5)
309
+ fig.text(lx + 0.004, (cy - 0.02) / H,
310
+ "compare same marker only\ncond.-encoder-only: fold 0 only\nlogFC r: pooled only",
311
+ ha="left", va="bottom", fontsize=style.FS - 3, color="#4D4D4D", linespacing=1.3)
312
+
313
+ style.save(fig, "sec07_ft_modes", FIGDIR)
314
+
315
+ # print the numbers used on the slide
316
+ print(f"trainable full {n_full} lora {n_lora} ratio {ratio:.2f}; per-step full/LoRA {step_ratio:.2f}")
317
+ print(comp[["dataset", "label", "n_runs", "folds", "lr", "n_trainable", "wall_min_median", "wall_min_min",
318
+ "wall_min_max", "steps_run_min", "steps_run_max", "sec_per_step_median"]]
319
+ .round(4).to_string(index=False))
320
+ print(acc[["dataset", "call", "label", "n_donors", "comp_l1", "coverage", "precision", "logfc_r",
321
+ "n_case", "n_control"]].round(3).to_string(index=False))
322
+ print(f"x limits: L1 {l1_lim}, coverage {cov_lim}, logFC r {r_lim}")
323
+ print(wil.drop(columns=["source"]).to_string(index=False))
324
+
325
+
326
+ if __name__ == "__main__":
327
+ main()
paper-releases/pbisc-diffusion/updates/20260930T090852Z-summary-deck-final-path-story/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec08_pairs_needed.py ADDED
@@ -0,0 +1,525 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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" = zero-shot, the pretrained model fed the real bulk as measured (score arm zs__raw; uses no pair);
10
+ LoRA n = training pairs, and every LoRA run also early-stops on 7-8 paired inner-val donors
11
+ (RUN.json inner_val_rows). Every plotted arm is conditioned on the same real bulk (*__raw), so they share one
12
+ real-bulk broadcast. Cap-limited = ran to max_steps before the patience window closed; its late inner-val loss
13
+ drop is read from history.json.
14
+ When the zero-shot point lies far outside every other value of a panel (BREAK_RATIO), that panel gets a y-axis
15
+ break with a short segment at the same data scale, instead of squeezing the LoRA curve.
16
+ """
17
+ import json
18
+ import sys
19
+ from pathlib import Path
20
+
21
+ import numpy as np
22
+ import pandas as pd
23
+ from scipy.stats import wilcoxon
24
+
25
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
26
+ "2026-09-30--paper-summary--r00")
27
+ sys.path.insert(0, str(DECK / "tools"))
28
+ import style # noqa: E402
29
+ import matplotlib.pyplot as plt # noqa: E402
30
+ from matplotlib.lines import Line2D # noqa: E402
31
+
32
+ PLAN = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/"
33
+ "paired_finetune_intradataset_20260927")
34
+ FINAL_CKPT = ("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/runs/"
35
+ "f01_6k_1x_seed20260627/checkpoint_epoch_016.pt")
36
+ FIGDIR, DATADIR = DECK / "figures", DECK / "data"
37
+ FIGDIR.mkdir(exist_ok=True)
38
+ DATADIR.mkdir(exist_ok=True)
39
+
40
+ DSETS = ["immicro", "ye2026_sepsis"]
41
+ DS_LABEL = {"immicro": "ImMicro", "ye2026_sepsis": "Sepsis"}
42
+ LC_N = [5, 10, 20, 40]
43
+ LORA_ARMS = [f"lora_n{n}__raw" for n in LC_N] + ["real_lora__raw"]
44
+ RUN_ARMS = [f"lora_n{n}" for n in LC_N] + ["real_lora"]
45
+ ZS = "zs__raw" # zero-shot on the real bulk as measured: 0 pairs
46
+ X_LAB = ["0", "5", "10", "20", "40", "all"]
47
+ KEY_LAB = ["zero_shot", "5", "10", "20", "40", "all"] # the same points, as keys in sec08_slide_numbers.csv
48
+ X_POS = [0.0, 1.3, 2.3, 3.3, 4.3, 5.3] # small gap after the zero-shot point (no fine-tuning)
49
+ BREAK_RATIO = 1.5 # y-axis break when the zero-shot point sits > 1.5 spans of the other values beyond them
50
+ CELLTYPES = ["T cell", "B cell", "Monocyte", "NK cell"]
51
+ DEG_TYPES = ["T cell", "B cell", "Monocyte", "NK cell", "DC"]
52
+ RAW_ARMS = LORA_ARMS + ["zs__raw", "real_full__raw", "pseudo_full__raw"] # all conditioned on raw real bulk
53
+
54
+ REF = { # reference-line styles; pseudo/broadcast copied from sec09 REFSTYLE so the deck is consistent
55
+ "pseudo": dict(ls=(0, (4, 2)), color=style.ARM["pseudo"], lw=1.6, label="Zero-shot from sc pseudobulk"),
56
+ "broadcast": dict(ls=(0, (1, 1.2)), color=style.ARM["broadcast"], lw=2.4, label="Real-bulk broadcast"),
57
+ "null": dict(ls=(0, (6, 2, 1.5, 2)), color=style.GREY, lw=1.4, label="Cohort-mean null"),
58
+ }
59
+ LEG_ZS = "Zero-shot, real bulk"
60
+
61
+
62
+ def xlabel(st):
63
+ """x-axis label; the inner-val range is read from the RUN.json files."""
64
+ return f"LoRA training pairs (each run +{rng_txt(st.n_inner_val)} inner-val pairs for early stopping)"
65
+
66
+
67
+ def close(a, b, tol=1e-6):
68
+ return abs(float(a) - float(b)) <= tol
69
+
70
+
71
+ class Call:
72
+ """One pooled score_ft.py scoring call."""
73
+
74
+ def __init__(self, path: Path):
75
+ self.path = path
76
+ self.summary = json.loads((path / "summary.json").read_text())
77
+ self.contrast = pd.read_csv(path / "contrast.csv") if (path / "contrast.csv").exists() else None
78
+ self.per_donor = pd.read_csv(path / "per_donor.csv")
79
+ self.src_summary = str(path / "summary.json")
80
+ self.src_contrast = str(path / "contrast.csv")
81
+ self.src_per_donor = str(path / "per_donor.csv")
82
+
83
+ def head(self, arm, key):
84
+ return float(self.summary["headline"][arm][key])
85
+
86
+ def contrast_r(self, arm, col="r_generated"):
87
+ c = self.contrast
88
+ c = c[(c.arm == arm) & (c.statistic == "mean_cp10k") & (c.celltype.isin(CELLTYPES))]
89
+ assert set(c.celltype) == set(CELLTYPES), (self.path, arm)
90
+ return float(c[col].mean())
91
+
92
+ def deg(self, arm, col="top50_overlap"):
93
+ d = self.contrast
94
+ d = d[(d.arm == arm) & (d.statistic == "welch_top50_deg")]
95
+ assert len(d) == 5, (self.path, arm, len(d)) # T/B/Mono/NK/DC
96
+ return float(d[col].sum())
97
+
98
+ def deg_type(self, arm, ct, col="top50_overlap"):
99
+ d = self.contrast
100
+ d = d[(d.arm == arm) & (d.statistic == "welch_top50_deg") & (d.celltype == ct)]
101
+ assert len(d) == 1, (self.path, arm, ct, len(d))
102
+ return float(d[col].iloc[0])
103
+
104
+ def frac_r(self, arm, ct):
105
+ d = self.per_donor[self.per_donor.arm == arm]
106
+ return float(np.corrcoef(d[f"gen_{ct}"].astype(float), d[f"obs_{ct}"].astype(float))[0, 1])
107
+
108
+
109
+ def load():
110
+ calls = {ds: Call(PLAN / "scores" / ds / "pooled") for ds in DSETS}
111
+ deg_call = Call(PLAN / "scores" / "ye2026_sepsis" / "pooled_deg")
112
+ for ds, c in calls.items():
113
+ for a in LORA_ARMS + [ZS, "zs__pseudo"]:
114
+ assert a in c.summary["arms"], (ds, a)
115
+ assert c.summary["per_arm"][a].get("receipt_verified", True) is not False, (ds, a)
116
+ # headline composition L1 equals the donor mean of per_donor.csv
117
+ assert close(c.per_donor.loc[c.per_donor.arm == a, "comp_l1"].mean(), c.head(a, "comp_l1"), 1e-9), a
118
+ # headline contrast means equal the per-type mean of contrast.csv
119
+ se = calls["ye2026_sepsis"]
120
+ for a in LORA_ARMS + [ZS, "zs__pseudo"]:
121
+ assert close(se.contrast_r(a), se.head(a, "contrast_mean_cp10k_r_gen"), 1e-9), a
122
+ assert close(deg_call.deg(a), deg_call.head(a, "deg_top50_sum"), 1e-9), a
123
+ # broadcast is the same for every arm conditioned on raw real bulk
124
+ bc = {a: se.contrast_r(a, "r_broadcast") for a in RAW_ARMS}
125
+ assert max(bc.values()) - min(bc.values()) < 1e-12, bc
126
+ bcd = {a: deg_call.deg(a, "top50_overlap_broadcast") for a in RAW_ARMS}
127
+ assert len(set(bcd.values())) == 1, bcd
128
+ assert close(bcd["real_lora__raw"], deg_call.head("real_lora__raw", "deg_top50_sum_broadcast"), 1e-9)
129
+ # non-DEG metrics agree between the two sepsis scoring calls (k-NN ties allow 1e-3)
130
+ for a in LORA_ARMS + [ZS]:
131
+ for k in ("comp_l1", "coverage"):
132
+ assert abs(se.head(a, k) - deg_call.head(a, k)) <= 1e-3, (a, k)
133
+ return calls, deg_call
134
+
135
+
136
+ def load_steps():
137
+ rows = []
138
+ for ds in DSETS:
139
+ for k in range(5):
140
+ for arm in RUN_ARMS:
141
+ p = PLAN / "runs" / ds / f"fold{k}" / arm / "RUN.json"
142
+ r = json.loads(p.read_text())
143
+ assert r["source_checkpoint"] == FINAL_CKPT, (p, r["source_checkpoint"])
144
+ assert r["mode"] == "lora", p
145
+ assert r["inner_val_rows"], p # every LoRA run early-stops on paired inner-val donors
146
+ hist = json.loads((p.parent / "history.json").read_text())
147
+ h = {int(e["step"]): float(e["inner_val_loss"]) for e in hist}
148
+ # cap-limited = ran to max_steps without the patience window closing
149
+ cap_limited = (r["steps_run"] >= r["max_steps"]
150
+ and r["steps_run"] - r["selected_step"] < r["patience"] * r["eval_every"])
151
+ last = max(h)
152
+ win = r["patience"] * r["eval_every"] # last patience window (2,000 steps)
153
+ drop_total = h[0] - h[last]
154
+ drop_last = h[last - win] - h[last]
155
+ rows.append({"dataset": ds, "fold": k, "arm": arm, "n_train": len(r["train_rows"]),
156
+ "n_inner_val": len(r["inner_val_rows"]), "selected_step": r["selected_step"],
157
+ "max_steps": r["max_steps"], "steps_run": r["steps_run"],
158
+ "patience_steps": win, "cap_limited": bool(cap_limited),
159
+ "val_loss_step0": h[0], "val_loss_last": h[last],
160
+ "val_loss_last_window_drop_frac": drop_last / drop_total,
161
+ "wall_seconds": r.get("wall_seconds"), "source": str(p),
162
+ "history": str(p.parent / "history.json")})
163
+ st = pd.DataFrame(rows)
164
+ # nested subsets: n_train equals the arm size for lora_n*
165
+ for n in LC_N:
166
+ assert (st[st.arm == f"lora_n{n}"].n_train == n).all(), n
167
+ return st
168
+
169
+
170
+ def load_fold_sizes():
171
+ """Test donors per fold (PREPARE.json); their sum must equal the donors in the pooled scoring call."""
172
+ out = {}
173
+ for ds in DSETS:
174
+ p = PLAN / "data" / ds / "PREPARE.json"
175
+ fs = json.loads(p.read_text())["fold_sizes"]
176
+ out[ds] = dict(test=[int(v["test"]) for v in fs.values()], source=str(p))
177
+ return out
178
+
179
+
180
+ def rng_txt(v):
181
+ v = sorted(int(x) for x in v)
182
+ return f"{v[0]}" if v[0] == v[-1] else f"{v[0]}–{v[-1]}"
183
+
184
+
185
+ def break_axis(ax, v0, lo, hi):
186
+ """Shrink ax to lo..hi and add a short segment above it that shows v0 at the same data scale."""
187
+ p = ax.get_position()
188
+ h_top, gap = 0.22 * p.height, 0.08 * p.height
189
+ h_main = p.height - h_top - gap
190
+ ax.set_position([p.x0, p.y0, p.width, h_main])
191
+ ax.set_ylim(lo, hi)
192
+ half = (hi - lo) * h_top / h_main / 2
193
+ top = ax.figure.add_axes([p.x0, p.y0 + h_main + gap, p.width, h_top], sharex=ax)
194
+ top.set_ylim(v0 - half, v0 + half)
195
+ # one tick in the short segment: the nearest value on the main axis' tick grid that fits inside it
196
+ step = float(np.diff(ax.get_yticks()[:2])[0]) / 2
197
+ tick = round(round(v0 / step) * step, 10)
198
+ top.set_yticks([tick] if abs(tick - v0) < half else [])
199
+ if not len(top.get_yticks()): # no grid value fits: print the value next to the point instead
200
+ top.text(X_POS[0] + 0.3, v0, f"{v0:.2f}", va="center", ha="left", fontsize=12)
201
+ top.spines["bottom"].set_visible(False)
202
+ top.tick_params(axis="x", bottom=False, labelbottom=False)
203
+ mk = dict(marker=[(-1, -0.5), (1, 0.5)], markersize=10, ls="none", color=style.INK, mec=style.INK, mew=1.2,
204
+ clip_on=False)
205
+ top.plot([0], [0], transform=top.transAxes, **mk)
206
+ ax.plot([0], [1], transform=ax.transAxes, **mk)
207
+ return top
208
+
209
+
210
+ def curve(ax, v0, vl, refs, rows, panel, ds, src0, srcl, ylim0=None):
211
+ """Zero-shot (real bulk) point at x=0, LoRA curve at 5..all, reference lines. Returns the axis for the title."""
212
+ lo, hi = min(vl), max(vl)
213
+ for key, val, src in refs:
214
+ lo, hi = min(lo, val), max(hi, val)
215
+ span = hi - lo
216
+ broken = ylim0 is None and span > 0 and (v0 - hi > BREAK_RATIO * span or lo - v0 > BREAK_RATIO * span)
217
+ if broken:
218
+ assert v0 > hi, (panel, ds, "axis break below the curve is not implemented")
219
+ else:
220
+ lo, hi = min(lo, v0), max(hi, v0)
221
+ pad = (hi - lo) * 0.15
222
+ axes = [ax]
223
+ if broken:
224
+ top = break_axis(ax, v0, lo - pad, hi + pad)
225
+ axes.append(top)
226
+ else:
227
+ ax.set_ylim(ylim0 if ylim0 is not None else lo - pad, hi + pad)
228
+ (axes[-1] if broken else ax).scatter([X_POS[0]], [v0], s=70, color=style.ARM["zs"], edgecolor=style.INK,
229
+ lw=0.6, zorder=5, clip_on=False)
230
+ ax.plot(X_POS[1:], vl, color=style.ARM["lora"], lw=2.0, zorder=3)
231
+ ax.scatter(X_POS[1:], vl, s=70, color=style.ARM["lora"], edgecolor=style.INK, lw=0.6, zorder=5)
232
+ rows.append(dict(panel=panel, dataset=ds, series="zero_shot", pairs=X_LAB[0], value=v0, source=src0,
233
+ y_axis_break=bool(broken)))
234
+ for lab, v, s in zip(X_LAB[1:], vl, srcl):
235
+ rows.append(dict(panel=panel, dataset=ds, series="lora", pairs=lab, value=v, source=s,
236
+ y_axis_break=bool(broken)))
237
+ for key, val, src in refs:
238
+ r = REF[key]
239
+ for a in axes:
240
+ a.axhline(val, ls=r["ls"], color=r["color"], lw=r["lw"], zorder=2)
241
+ rows.append(dict(panel=panel, dataset=ds, series=f"ref_{key}", pairs="", value=val, source=src,
242
+ y_axis_break=bool(broken)))
243
+ ax.set_xlim(-0.5, X_POS[-1] + 0.5)
244
+ ax.set_xticks(X_POS)
245
+ ax.set_xticklabels(X_LAB)
246
+ # nothing is clipped: every plotted value is inside the y range of the axis that draws it
247
+ for v in list(vl) + [val for _, val, _ in refs] + ([] if broken else [v0]):
248
+ assert ax.get_ylim()[0] <= v <= ax.get_ylim()[1], (panel, ds, v, ax.get_ylim())
249
+ if broken:
250
+ assert axes[-1].get_ylim()[0] <= v0 <= axes[-1].get_ylim()[1]
251
+ return axes[-1]
252
+
253
+
254
+ def fig_realism(calls, st, fold_sizes, rows, steprows):
255
+ fig, axs = plt.subplots(2, 3, figsize=style.FULL,
256
+ gridspec_kw=dict(left=0.168, right=0.99, top=0.83, bottom=0.12,
257
+ hspace=0.36, wspace=0.30))
258
+ heads = ["Composition L1 ↓", "Coverage ↑", "Selected step (×1,000)"]
259
+ pos0 = {ri: axs[ri, 2].get_position() for ri in range(len(DSETS))} # row extents before any y-axis break
260
+ title_ax = {ci: axs[0, ci] for ci in range(3)}
261
+ for ri, ds in enumerate(DSETS):
262
+ c = calls[ds]
263
+ for ci, key in enumerate(["comp_l1", "coverage"]):
264
+ ax = axs[ri, ci]
265
+ refs = [("pseudo", c.head("zs__pseudo", key), c.src_summary)]
266
+ if key == "comp_l1":
267
+ refs.append(("null", c.head("real_lora__raw", "comp_l1_obs_loo_null"), c.src_summary))
268
+ tax = curve(ax, c.head(ZS, key), [c.head(a, key) for a in LORA_ARMS], refs, rows,
269
+ f"{key}", ds, c.src_summary, [c.src_summary] * 5)
270
+ if ri == 0:
271
+ title_ax[ci] = tax
272
+ # selected early-stopping step per fold
273
+ ax = axs[ri, 2]
274
+ s = st[st.dataset == ds]
275
+ for xi, arm in zip(X_POS[1:], RUN_ARMS):
276
+ f = s[s.arm == arm].sort_values("fold")
277
+ v = f.selected_step.astype(float).values / 1000
278
+ jit = np.linspace(-0.22, 0.22, len(v))
279
+ ax.scatter(xi + jit, v, s=36, color=style.ARM["lora"], edgecolor=style.INK, lw=0.5, zorder=4)
280
+ med = float(np.median(v))
281
+ ax.plot([xi - 0.36, xi + 0.36], [med, med], color=style.INK, lw=2.0, zorder=5)
282
+ steprows.append(dict(dataset=ds, arm=arm, pairs=X_LAB[X_POS.index(xi)], median_step=med * 1000,
283
+ min_step=v.min() * 1000, max_step=v.max() * 1000,
284
+ n_cap_limited=int(f.cap_limited.sum()),
285
+ max_last_window_drop_frac=(float(f[f.cap_limited].val_loss_last_window_drop_frac.max())
286
+ if f.cap_limited.any() else np.nan),
287
+ n_train=rng_txt(f.n_train), n_inner_val=rng_txt(f.n_inner_val),
288
+ source=";".join(f.source)))
289
+ cap = float(s.max_steps.max()) / 1000
290
+ ax.axhline(cap, color=style.GREY, lw=1.0, ls=(0, (2, 2)), zorder=1)
291
+ ax.text(X_POS[0] - 0.4, cap + 0.6, f"cap {cap:g}k", color=style.GREY, fontsize=12, va="bottom")
292
+ ax.text(X_POS[0], cap * 0.45, "no training", color=style.GREY, fontsize=12, ha="center",
293
+ va="center", rotation=90)
294
+ ax.set_ylim(0, cap * 1.18)
295
+ ax.set_xlim(-0.5, X_POS[-1] + 0.5)
296
+ ax.set_xticks(X_POS)
297
+ ax.set_xticklabels(X_LAB)
298
+ n_all = rng_txt(s[s.arm == "real_lora"].n_train)
299
+ n_iv = rng_txt(s.n_inner_val)
300
+ n_scored = int(c.summary["n_donors"])
301
+ assert n_scored == sum(fold_sizes[ds]["test"]), (ds, n_scored, fold_sizes[ds]["test"])
302
+ ymid = (pos0[ri].y0 + pos0[ri].y1) / 2
303
+ fig.text(0.005, ymid + 0.075, DS_LABEL[ds], fontsize=15, fontweight="bold", va="bottom", ha="left")
304
+ fig.text(0.005, ymid + 0.065, f"{n_scored} donors\nall = {n_all} pairs\ninner-val = {n_iv}",
305
+ fontsize=12.5, va="top", ha="left", linespacing=1.35)
306
+ rows.append(dict(panel="meta", dataset=ds, series="n_scored_donors", pairs="", value=n_scored,
307
+ source=c.src_summary))
308
+ rows.append(dict(panel="meta", dataset=ds, series="n_pairs_all", pairs="all", value=n_all,
309
+ source="RUN.json train_rows: " + ";".join(s[s.arm == "real_lora"].source)))
310
+ rows.append(dict(panel="meta", dataset=ds, series="n_inner_val", pairs="", value=n_iv,
311
+ source="RUN.json inner_val_rows (all LoRA arms, 5 folds)"))
312
+ rows.append(dict(panel="meta", dataset=ds, series="n_test_donors_per_fold", pairs="",
313
+ value="/".join(map(str, fold_sizes[ds]["test"])),
314
+ source=fold_sizes[ds]["source"] + " fold_sizes test"))
315
+ for ci, h in enumerate(heads):
316
+ title_ax[ci].set_title(h, fontsize=14, pad=8)
317
+ x0, x1 = axs[1, 0].get_position().x0, axs[1, 2].get_position().x1
318
+ fig.text((x0 + x1) / 2, 0.005, xlabel(st), ha="center", va="bottom", fontsize=14)
319
+ handles = [
320
+ Line2D([0], [0], marker="o", color=style.ARM["zs"], lw=0, markeredgecolor=style.INK, markersize=8,
321
+ label=LEG_ZS),
322
+ Line2D([0], [0], marker="o", color=style.ARM["lora"], lw=2.0, markeredgecolor=style.INK, markersize=8,
323
+ label="LoRA fine-tune (dots in step panel = folds)"),
324
+ Line2D([0], [0], color=style.INK, lw=2.0, label="Median of 5 folds"),
325
+ Line2D([0], [0], ls=REF["pseudo"]["ls"], color=REF["pseudo"]["color"], lw=REF["pseudo"]["lw"],
326
+ label=REF["pseudo"]["label"]),
327
+ Line2D([0], [0], ls=REF["null"]["ls"], color=REF["null"]["color"], lw=REF["null"]["lw"],
328
+ label=REF["null"]["label"]),
329
+ ]
330
+ fig.legend(handles=handles, loc="upper left", bbox_to_anchor=(0.005, 1.0), ncol=3, frameon=False,
331
+ fontsize=12, handlelength=2.4, columnspacing=1.6, labelspacing=0.4, borderaxespad=0.0)
332
+ style.save(fig, "sec08_pairs_realism", FIGDIR)
333
+
334
+
335
+ def fig_signal(calls, deg_call, st, rows):
336
+ fig, axs = plt.subplots(1, 3, figsize=style.TALL,
337
+ gridspec_kw=dict(left=0.085, right=0.99, top=0.79, bottom=0.115, wspace=0.42))
338
+ im, se = calls["immicro"], calls["ye2026_sepsis"]
339
+ tax = [None] * 3
340
+ # a: ImMicro across-donor NK fraction r
341
+ tax[0] = curve(axs[0], im.frac_r(ZS, "NK cell"), [im.frac_r(a, "NK cell") for a in LORA_ARMS],
342
+ [("pseudo", im.frac_r("zs__pseudo", "NK cell"), im.src_per_donor)], rows, "nk_fraction_r",
343
+ "immicro", im.src_per_donor, [im.src_per_donor] * 5)
344
+ # other cell types, recorded for the footnote
345
+ for ct in ["T cell", "B cell", "Monocyte"]:
346
+ for a, lab in zip([ZS] + LORA_ARMS, X_LAB):
347
+ rows.append(dict(panel="other_fraction_r", dataset="immicro", series=ct, pairs=lab,
348
+ value=im.frac_r(a, ct), source=im.src_per_donor))
349
+ # b: sepsis disease logFC r (mean of T/B/Mono/NK, mean_cp10k)
350
+ tax[1] = curve(axs[1], se.contrast_r(ZS), [se.contrast_r(a) for a in LORA_ARMS],
351
+ [("pseudo", se.contrast_r("zs__pseudo"), se.src_contrast),
352
+ ("broadcast", se.contrast_r("real_lora__raw", "r_broadcast"), se.src_contrast)],
353
+ rows, "logfc_r", "ye2026_sepsis", se.src_contrast, [se.src_contrast] * 5)
354
+ # c: sepsis top-50 DEG (Welch, sum over T/B/Mono/NK/DC)
355
+ tax[2] = curve(axs[2], deg_call.deg(ZS), [deg_call.deg(a) for a in LORA_ARMS],
356
+ [("pseudo", deg_call.deg("zs__pseudo"), deg_call.src_contrast),
357
+ ("broadcast", deg_call.deg("real_lora__raw", "top50_overlap_broadcast"), deg_call.src_contrast)],
358
+ rows, "top50_deg", "ye2026_sepsis", deg_call.src_contrast, [deg_call.src_contrast] * 5, ylim0=0)
359
+ # top-50 DEG overlap per cell type (footnote: which types carry the gain), incl. broadcast
360
+ for ct in DEG_TYPES:
361
+ for a, lab in zip([ZS] + LORA_ARMS + ["zs__pseudo"], X_LAB + ["pseudo"]):
362
+ rows.append(dict(panel="top50_deg_by_type", dataset="ye2026_sepsis", series=ct, pairs=lab,
363
+ value=deg_call.deg_type(a, ct), source=deg_call.src_contrast))
364
+ rows.append(dict(panel="top50_deg_by_type", dataset="ye2026_sepsis", series=ct, pairs="broadcast",
365
+ value=deg_call.deg_type("real_lora__raw", ct, "top50_overlap_broadcast"),
366
+ source=deg_call.src_contrast))
367
+ cd = se.summary["contrast_definition"]
368
+ grp = f"Sepsis {cd['n_case_donors']} vs {cd['n_control_donors']}"
369
+ heads = [f"ImMicro, {int(im.summary['n_donors'])} donors\ndonor NK fraction r",
370
+ f"{grp}\ndisease logFC r", f"{grp}\ntop-50 DEG overlap"]
371
+ for ax, h in zip(tax, heads):
372
+ ax.set_title(h, fontsize=14, pad=8, linespacing=1.3)
373
+ x0, x1 = axs[0].get_position().x0, axs[2].get_position().x1
374
+ fig.text((x0 + x1) / 2, 0.005, xlabel(st), ha="center", va="bottom", fontsize=13)
375
+ rows.append(dict(panel="meta", dataset="ye2026_sepsis", series="n_case_vs_control", pairs="",
376
+ value=f"{se.summary['contrast_definition']['n_case_donors']} vs "
377
+ f"{se.summary['contrast_definition']['n_control_donors']}", source=se.src_summary))
378
+ handles = [ # column-wise fill: [zero-shot, pseudo] | [LoRA, broadcast]
379
+ Line2D([0], [0], marker="o", color=style.ARM["zs"], lw=0, markeredgecolor=style.INK, markersize=8,
380
+ label=LEG_ZS),
381
+ Line2D([0], [0], ls=REF["pseudo"]["ls"], color=REF["pseudo"]["color"], lw=REF["pseudo"]["lw"],
382
+ label=REF["pseudo"]["label"]),
383
+ Line2D([0], [0], marker="o", color=style.ARM["lora"], lw=2.0, markeredgecolor=style.INK, markersize=8,
384
+ label="LoRA fine-tune"),
385
+ Line2D([0], [0], ls=REF["broadcast"]["ls"], color=REF["broadcast"]["color"], lw=REF["broadcast"]["lw"],
386
+ label=REF["broadcast"]["label"]),
387
+ ]
388
+ fig.legend(handles=handles, loc="upper left", bbox_to_anchor=(0.005, 1.0), ncol=2, frameon=False,
389
+ fontsize=12, handlelength=2.4, columnspacing=1.2, labelspacing=0.4, borderaxespad=0.0)
390
+ style.save(fig, "sec08_pairs_signal", FIGDIR)
391
+
392
+
393
+ def slide_numbers(calls, deg_call, st):
394
+ """Numbers quoted in the slide keywords/footnote, each with its source file."""
395
+ im, se = calls["immicro"], calls["ye2026_sepsis"]
396
+ out = []
397
+
398
+ def add(key, value, src):
399
+ out.append(dict(key=key, value=value, source=src))
400
+
401
+ for ds, c in calls.items():
402
+ for key in ("coverage", "comp_l1"):
403
+ add(f"{ds}.{key}.zero_shot", round(c.head(ZS, key), 3), c.src_summary)
404
+ add(f"{ds}.{key}.lora_n5", round(c.head("lora_n5__raw", key), 3), c.src_summary)
405
+ add(f"{ds}.{key}.lora_all", round(c.head("real_lora__raw", key), 3), c.src_summary)
406
+ add(f"{ds}.{key}.zs_pseudo", round(c.head("zs__pseudo", key), 3), c.src_summary)
407
+ add(f"{ds}.comp_l1.null", round(c.head("real_lora__raw", "comp_l1_obs_loo_null"), 3), c.src_summary)
408
+ # donor-level composition L1, each LoRA size vs zero-shot (paired Wilcoxon, uncorrected)
409
+ piv = c.per_donor.pivot(index="donor", columns="arm", values="comp_l1")
410
+ for a, lab in zip(LORA_ARMS, X_LAB[1:]):
411
+ x = (piv[a] - piv[ZS]).dropna()
412
+ add(f"{ds}.comp_l1.lora_{lab}_minus_zero_shot.mean", round(float(x.mean()), 3), c.src_per_donor)
413
+ add(f"{ds}.comp_l1.lora_{lab}_minus_zero_shot.frac_donors_lower", round(float((x < 0).mean()), 2),
414
+ c.src_per_donor)
415
+ add(f"{ds}.comp_l1.lora_{lab}_vs_zero_shot.wilcoxon_p", float(f"{wilcoxon(x).pvalue:.2g}"),
416
+ c.src_per_donor)
417
+ add(f"{ds}.n_scored_donors", int(c.summary["n_donors"]), c.src_summary)
418
+ s = st[st.dataset == ds]
419
+ add(f"{ds}.selected_step.lora_n5.range", rng_txt(s[s.arm == "lora_n5"].selected_step), "RUN.json: "
420
+ + ";".join(s[s.arm == "lora_n5"].source))
421
+ add(f"{ds}.n_train.all", rng_txt(s[s.arm == "real_lora"].n_train), "RUN.json: "
422
+ + ";".join(s[s.arm == "real_lora"].source))
423
+ add(f"{ds}.n_inner_val", rng_txt(s.n_inner_val), "RUN.json inner_val_rows (all LoRA arms, 5 folds)")
424
+ for arm in RUN_ARMS:
425
+ f = s[s.arm == arm]
426
+ add(f"{ds}.folds_cap_limited.{arm}", f"{int(f.cap_limited.sum())}/{len(f)}",
427
+ "RUN.json steps_run == max_steps and steps_run - selected_step < patience*eval_every: "
428
+ + ";".join(f.source))
429
+ capped = s[s.cap_limited]
430
+ if len(capped):
431
+ add(f"{ds}.cap_limited.max_val_loss_drop_frac_last_2k_steps",
432
+ round(float(capped.val_loss_last_window_drop_frac.max()), 4),
433
+ "history.json inner_val_loss (drop over last patience window / drop from step 0): "
434
+ + ";".join(capped.history))
435
+ for a, lab in zip([ZS] + LORA_ARMS + ["zs__pseudo"], KEY_LAB + ["pseudo"]):
436
+ add(f"immicro.nk_fraction_r.{lab}", round(im.frac_r(a, "NK cell"), 2), im.src_per_donor)
437
+ add(f"sepsis.logfc_r.{lab}", round(se.contrast_r(a), 2), se.src_contrast)
438
+ add(f"sepsis.top50_deg.{lab}", int(deg_call.deg(a)), deg_call.src_contrast)
439
+ add("sepsis.logfc_r.broadcast", round(se.contrast_r("real_lora__raw", "r_broadcast"), 2), se.src_contrast)
440
+ add("sepsis.top50_deg.broadcast", int(deg_call.deg("real_lora__raw", "top50_overlap_broadcast")),
441
+ deg_call.src_contrast)
442
+
443
+ def first_sustained(v, thr, strict=True):
444
+ """First LoRA n from which every later n is above (or >=) thr."""
445
+ for i in range(len(v)):
446
+ if all((x > thr) if strict else (x >= thr) for x in v[i:]):
447
+ return X_LAB[1 + i]
448
+ return "never"
449
+ bc_r = se.contrast_r("real_lora__raw", "r_broadcast")
450
+ bc_d = deg_call.deg("real_lora__raw", "top50_overlap_broadcast")
451
+ vr = [se.contrast_r(a) for a in LORA_ARMS]
452
+ vd = [deg_call.deg(a) for a in LORA_ARMS]
453
+ add("sepsis.logfc_r.first_n_above_broadcast", first_sustained(vr, bc_r), se.src_contrast)
454
+ add("sepsis.logfc_r.first_n_above_zero_shot", first_sustained(vr, se.contrast_r(ZS)), se.src_contrast)
455
+ add("sepsis.top50_deg.first_n_at_or_above_broadcast", first_sustained(vd, bc_d, strict=False),
456
+ deg_call.src_contrast)
457
+ add("sepsis.top50_deg.first_n_above_zero_shot", first_sustained(vd, deg_call.deg(ZS)), deg_call.src_contrast)
458
+ # across-donor fraction r per cell type: first n from which LoRA stays at/above zero-shot (footnote)
459
+ for ct, key in [("T cell", "T"), ("B cell", "B"), ("Monocyte", "Mono"), ("NK cell", "NK")]:
460
+ v = [im.frac_r(a, ct) for a in LORA_ARMS]
461
+ add(f"immicro.fraction_r.{key}.first_n_at_or_above_zero_shot",
462
+ first_sustained(v, im.frac_r(ZS, ct), strict=False), im.src_per_donor)
463
+ add(f"immicro.fraction_r.{key}.zero_shot", round(im.frac_r(ZS, ct), 2), im.src_per_donor)
464
+ add(f"immicro.fraction_r.{key}.lora_5_10_20_40_all", "/".join(f"{x:.2f}" for x in v), im.src_per_donor)
465
+ # top-50 DEG overlap by cell type (which types carry the gain)
466
+ for ct, key in [("T cell", "T"), ("B cell", "B"), ("Monocyte", "Mono"), ("NK cell", "NK"), ("DC", "DC")]:
467
+ v = [deg_call.deg_type(a, ct) for a in [ZS] + LORA_ARMS]
468
+ add(f"sepsis.top50_deg.{key}.zero_shot_5_10_20_40_all", "/".join(f"{x:g}" for x in v),
469
+ deg_call.src_contrast)
470
+ add(f"sepsis.top50_deg.{key}.broadcast", int(deg_call.deg_type("real_lora__raw", ct,
471
+ "top50_overlap_broadcast")),
472
+ deg_call.src_contrast)
473
+ add("sepsis.n_case", int(se.summary["contrast_definition"]["n_case_donors"]), se.src_summary)
474
+ add("sepsis.n_control", int(se.summary["contrast_definition"]["n_control_donors"]), se.src_summary)
475
+ add("final_checkpoint", FINAL_CKPT, "RUN.json source_checkpoint (all 50 LoRA runs)")
476
+ return pd.DataFrame(out)
477
+
478
+
479
+ def check_against_fig3(rows):
480
+ """Cross-check the LoRA curve and reference lines with the plan's own fig3 source data (same numbers,
481
+ independent code path). The plan's fig3 n=0 point is a different zero-shot arm, so the zero-shot real-bulk
482
+ point is checked in load() instead (headline vs per_donor.csv / contrast.csv)."""
483
+ ref = pd.read_csv(PLAN / "figures" / "source_data" / "fig3_learning_curve.csv")
484
+ pmap = {("comp_l1", "immicro"): "3a", ("comp_l1", "ye2026_sepsis"): "3b",
485
+ ("coverage", "immicro"): "3c", ("coverage", "ye2026_sepsis"): "3d",
486
+ ("nk_fraction_r", "immicro"): "3e", ("logfc_r", "ye2026_sepsis"): "3f",
487
+ ("top50_deg", "ye2026_sepsis"): "3h"}
488
+ n = 0
489
+ for r in rows:
490
+ p = pmap.get((r["panel"], r["dataset"]))
491
+ if p is None or r["series"] == "zero_shot":
492
+ continue
493
+ if r["series"] == "lora":
494
+ m = ref[(ref.panel == p) & (ref.series == r["series"]) & (ref.draw == f"n={r['pairs']}")]
495
+ else:
496
+ m = ref[(ref.panel == p) & (ref.series == r["series"])]
497
+ assert len(m) == 1, (r, len(m))
498
+ assert abs(float(m.value.iloc[0]) - float(r["value"])) < 1e-5, (r, float(m.value.iloc[0]))
499
+ n += 1
500
+ return n
501
+
502
+
503
+ def main():
504
+ calls, deg_call = load()
505
+ st = load_steps()
506
+ fold_sizes = load_fold_sizes()
507
+ rows, steprows = [], []
508
+ fig_realism(calls, st, fold_sizes, rows, steprows)
509
+ rows_sig = []
510
+ fig_signal(calls, deg_call, st, rows_sig)
511
+ n_checked = check_against_fig3(rows + rows_sig)
512
+ pd.DataFrame(rows).to_csv(DATADIR / "sec08_pairs_realism.csv", index=False, float_format="%.6g")
513
+ pd.DataFrame(steprows).to_csv(DATADIR / "sec08_selected_steps.csv", index=False, float_format="%.6g")
514
+ st.to_csv(DATADIR / "sec08_selected_steps_per_fold.csv", index=False)
515
+ pd.DataFrame(rows_sig).to_csv(DATADIR / "sec08_pairs_signal.csv", index=False, float_format="%.6g")
516
+ nums = slide_numbers(calls, deg_call, st)
517
+ nums.to_csv(DATADIR / "sec08_slide_numbers.csv", index=False)
518
+ print(nums.to_string(index=False, max_colwidth=70))
519
+ print(f"cross-checked {n_checked} plotted values against fig3_learning_curve.csv")
520
+ brk = [(r["panel"], r["dataset"]) for r in rows + rows_sig if r.get("series") == "zero_shot" and r["y_axis_break"]]
521
+ print(f"y-axis breaks: {brk}")
522
+
523
+
524
+ if __name__ == "__main__":
525
+ main()
paper-releases/pbisc-diffusion/updates/20260930T090852Z-summary-deck-final-path-story/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/sec09_paired_validation.py ADDED
@@ -0,0 +1,1251 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Section 9 of the 2026-09-30 paper-summary deck: the final method in five paired cohorts,
3
+ and scSemiProfiler trained on the same 5 donors.
4
+
5
+ CPU only: reads score files, draws slide-sized figures. No torch, no CUDA, no generation, no scANVI.
6
+
7
+ Data loading is imported unchanged from the benchmark's own figure script
8
+ (plans/paired_finetune_intradataset_20260927/figures/make_figures.py: load_fewpair, load_pooled),
9
+ so every plotted number and every scSemiProfiler acceptance check (same donor set, same reference
10
+ sha, receipt verified) is the same as in the paper figures. Only the drawing is new.
11
+
12
+ Outputs (deck folder):
13
+ figures/sec09_cohorts.{png,pdf} slide a: five paired cohorts (table)
14
+ figures/sec09_fewpair_cells.{png,pdf} slide b: 5 donors, cell-level metrics
15
+ figures/sec09_fewpair_disease.{png,pdf} slide c: 5 donors, disease signal
16
+ figures/sec09_fivefold.{png,pdf} slide d: all pairs, 5-fold pooled
17
+ data/sec09_*.csv every plotted number with its source file
18
+ data/sec09_slide_text.json slide titles, keywords, footnotes (long "footnote" for the speaker
19
+ notes + one-line "footnote_short") and quoted numbers (+ sources),
20
+ all built by this script from the same data as the figures
21
+ data/sec09_quoted_numbers.csv the quoted numbers as a flat table
22
+
23
+ Baselines (paper story, user decision 2026-09-30): the no-fine-tune baseline is zero-shot on the real bulk as
24
+ measured (few-pair arm zs_raw, pooled arm zs__raw); the sc-only control is the sc-only fine-tune fed the real bulk
25
+ as measured (pooled arm pseudo_full__raw). The benchmark's input-adjusted arms (zs_cal, zs__cal, pseudo_full__cal)
26
+ are dropped right after loading and never reach a figure, table or slide text; OFF_STORY guards the outputs.
27
+
28
+ RERUN CHECKLIST (all 25 scSemiProfiler draws are scored; rerun whenever a score file changes):
29
+ 1. /home/sj_server_1/miniforge3/bin/python3 tools/sec09_paired_validation.py (no edits needed; must exit 0)
30
+ 2. Rebuild the four slides from data/sec09_slide_text.json: every title, keyword line, footnote and quoted
31
+ number there is regenerated. Do not keep hand-copied slide text.
32
+ 3. Look at the four PNGs again.
33
+ """
34
+ from __future__ import annotations
35
+
36
+ import os
37
+
38
+ os.environ["CUDA_VISIBLE_DEVICES"] = "" # plotting only
39
+
40
+ import gzip
41
+ import importlib
42
+ import importlib.util
43
+ import json
44
+ import re
45
+ import sys
46
+ from pathlib import Path
47
+
48
+ import numpy as np
49
+ import pandas as pd
50
+ from scipy.stats import wilcoxon
51
+
52
+ DECK = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/presentations/"
53
+ "2026-09-30--paper-summary--r00")
54
+ T = Path("/home/sj_server_1/PBISC/immun-pbmc-fm/model_8_sparse_data_diffusion/plans/"
55
+ "paired_finetune_intradataset_20260927")
56
+ SCORES = T / "scores"
57
+ DATA = T / "data"
58
+ FIGDIR = DECK / "figures"
59
+ OUTDATA = DECK / "data"
60
+ SCRIPT = DECK / "tools" / "sec09_paired_validation.py"
61
+ DATALAKE = Path("/home/sj_server_1/gblee/datalake/paired-pbmc-bulk-sc")
62
+
63
+ # 1) the benchmark's loaders (this import sets print-size rcParams) ...
64
+ _spec = importlib.util.spec_from_file_location("pf_make_figures", T / "figures" / "make_figures.py")
65
+ mf = importlib.util.module_from_spec(_spec)
66
+ _spec.loader.exec_module(mf)
67
+ # 2) ... then the deck style, which must win the rcParams
68
+ sys.path.insert(0, str(DECK / "tools"))
69
+ import style # noqa: E402
70
+
71
+ importlib.reload(style)
72
+ import matplotlib.pyplot as plt # noqa: E402
73
+ from matplotlib.lines import Line2D # noqa: E402
74
+ from matplotlib.patches import Patch # noqa: E402
75
+ from matplotlib.ticker import MaxNLocator # noqa: E402
76
+
77
+ # deck order: healthy first, whole-blood cohort last
78
+ ORDER = ["immicro", "ye2026_sepsis", "imperial_eskd", "giroux2022", "ji2025_chili"]
79
+ DISEASE = [d for d in ORDER if d != "immicro"]
80
+ NAME = {"immicro": "ImMicro", "ye2026_sepsis": "Sepsis", "imperial_eskd": "Imperial",
81
+ "giroux2022": "Giroux", "ji2025_chili": "Ji"}
82
+ ROWNAME = {**NAME, "ji2025_chili": "Ji (whole blood)"}
83
+ COL = {"zs_raw": style.ARM["zs"], "scsemi5": style.ARM["scsemi"], "lora": style.ARM["lora"],
84
+ "sconly": style.ARM["sconly"]}
85
+ LAB = {"zs_raw": "Zero-shot, real bulk", "scsemi5": "scSemiProfiler, 5 donors",
86
+ "lora": "LoRA, 5 donors", "sconly": "sc-only fine-tune",
87
+ "lora_all": "LoRA, all training pairs"}
88
+ # few-pair arms kept from load_fewpair (canonical key -> arm name in summary.json); everything else is dropped
89
+ ARM_FILE = {"lora": "lora5", "scsemi5": "scsemi5", "zs_raw": "zs_raw", "pseudo": "zs_pseudo"}
90
+ # pooled 5-fold arms (plot key -> arm name in scores/<cohort>/pooled/summary.json)
91
+ POOLED_ARMS = {"zs_raw": "zs__raw", "sconly": "pseudo_full__raw", "lora": "real_lora__raw"}
92
+ # text that must not appear in any figure, CSV label or slide text of this section
93
+ OFF_STORY = re.compile(r"calibrat|refcal|\bcal\b|_cal\b|__cal\b|α|alpha|paired cal", re.I)
94
+ KW_MAX_CHARS = 45 # keyword line length on the slide
95
+ FOOT_SHORT_MAX = 110 # one-line on-slide footnote
96
+ REFSTYLE = {"pseudo": dict(ls=(0, (4, 2)), color=style.ARM["pseudo"], lw=1.6, label="Zero-shot, sc pseudobulk input"),
97
+ "broadcast": dict(ls=(0, (1, 1.2)), color=style.ARM["broadcast"], lw=2.4, label="Real-bulk broadcast")}
98
+ EDGE = "#333333"
99
+ SUB = "#595959"
100
+ FS = style.FS
101
+ HILITE = "#FFF3D1"
102
+ LEFT_IN = 2.25 # room for the row labels (cohort + train/test pairs)
103
+ WIN_FRAC = 0.8 # a cohort verdict needs one method better in >= 80 % of the shared draws
104
+ QC = {d: DATA / d / "QC_REPORT.md" for d in DISEASE}
105
+ ARGS = T / "tools" / "contrast_args.sh"
106
+ README = T / "README.md"
107
+ SCORE_FT = T / "tools" / "score_ft.py"
108
+ PREPARE = T / "tools" / "prepare_dataset.py"
109
+ INV = DATALAKE / "docs" / "dataset_inventory.csv"
110
+ SOFT_SC = DATALAKE / "datasets" / "GSE314416" / "metadata" / "GSE314416_family.soft.gz"
111
+ SOFT_BULK = DATALAKE / "datasets" / "GSE314922" / "metadata" / "GSE314922_family.soft.gz"
112
+
113
+ CKPT = "runs/f01_6k_1x_seed20260627/checkpoint_epoch_016.pt"
114
+ NUMS = {k: [] for k in "abcd"} # slide -> [{"value", "source"}] quoted on the slide
115
+ EXTRA = [] # further numbers written to the CSV only
116
+
117
+
118
+ def num(slide, value, source):
119
+ NUMS[slide].append({"value": str(value), "source": str(source)})
120
+
121
+
122
+ def extra(slide, item, value, source):
123
+ EXTRA.append({"slide": slide, "item": item, "value": str(value), "source": str(source)})
124
+
125
+
126
+ def rng(vals, fmt="{:d}"):
127
+ vals = sorted(set(vals))
128
+ return fmt.format(vals[0]) if len(vals) == 1 else f"{fmt.format(vals[0])}–{fmt.format(vals[-1])}"
129
+
130
+
131
+ # ------------------------------------------------------------------------------------------
132
+ # Evidence: every label on the cohort table must match ONE line of its source file
133
+ # ------------------------------------------------------------------------------------------
134
+ _TEXT_CACHE: dict = {}
135
+
136
+
137
+ def _read_text(p: Path) -> str:
138
+ if p not in _TEXT_CACHE:
139
+ if p.suffix == ".gz":
140
+ with gzip.open(p, "rt", encoding="utf-8", errors="replace") as fh:
141
+ _TEXT_CACHE[p] = fh.read()
142
+ else:
143
+ _TEXT_CACHE[p] = p.read_text(encoding="utf-8", errors="replace")
144
+ return _TEXT_CACHE[p]
145
+
146
+
147
+ def evidence(p: Path, pattern: str) -> str:
148
+ """The full source line (with its number) that contains a match of `pattern`; the match may not span lines."""
149
+ text = _read_text(p)
150
+ m = re.search(pattern, text, flags=re.M)
151
+ if not m:
152
+ raise ValueError(f"evidence not found: /{pattern}/ in {p}")
153
+ if "\n" in m.group(0):
154
+ raise ValueError(f"evidence /{pattern}/ spans lines in {p}")
155
+ a = text.rfind("\n", 0, m.start()) + 1
156
+ b = text.find("\n", m.end())
157
+ line = text[a:(len(text) if b < 0 else b)].strip()
158
+ return f"L{text.count(chr(10), 0, m.start()) + 1}: {line[:240]}"
159
+
160
+
161
+ def match_text(p: Path, pattern: str) -> str:
162
+ """Only the matched text (one line) of `pattern` in p, after the same checks as evidence()."""
163
+ evidence(p, pattern)
164
+ return re.search(pattern, _read_text(p), flags=re.M).group(0)
165
+
166
+
167
+ def evidences(pairs) -> tuple[str, str]:
168
+ ev = [evidence(p, pat) for p, pat in pairs]
169
+ return " || ".join(ev), " ; ".join(sorted({str(p) for p, _ in pairs}))
170
+
171
+
172
+ # display text -> [(file, one-line regex), ...]; each regex must match a single line of its file
173
+ COHORT_TEXT = {
174
+ "immicro": {
175
+ "study": ("ImMicro 2026", [(INV, r"Babdor et al\., Cell 2026 ImMicro")]),
176
+ "disease": ("healthy", [(INV, r'Babdor et al\., Cell 2026 ImMicro",Healthy humans')]),
177
+ "bulk": ("PBMC, mRNA-Seq", [(SOFT_BULK, r"^!Sample_source_name_ch1 = PBMC *$"),
178
+ (SOFT_BULK, r"Universal Plus mRNA-Seq with NuQuant kit")]),
179
+ "sc": ("10x 5′ v1.1 CITE-seq", [(SOFT_SC, r"Chromium Next GEM Single Cell 5.{1,2} v1\.1 Library Kit"),
180
+ (SOFT_SC, r"Library strategy: CITE-seq")]),
181
+ },
182
+ "ye2026_sepsis": {
183
+ "study": ("Ye 2026", [(QC["ye2026_sepsis"], r"Ye Q et al\., Nat Immunol 2026")]),
184
+ "disease": ("sepsis", [(QC["ye2026_sepsis"], r"^# Ye 2026 sepsis")]),
185
+ # extraction is total RNA (Trizol) but the library (polyA vs rRNA depletion) is not stated -> show PBMC only
186
+ "bulk": ("PBMC", [(QC["ye2026_sepsis"], r"GEO protocol: PBMC total RNA \(Trizol\).*polyA vs rRNA depletion not stated")]),
187
+ "sc": ("10x 5′", [(QC["ye2026_sepsis"], r"Chemistry: GEO says .*but the data show 5'")]),
188
+ },
189
+ "imperial_eskd": {
190
+ "study": ("Imperial ESKD", [(QC["imperial_eskd"], r"patients with COVID-19, Imperial cohort")]),
191
+ "disease": ("COVID-19, dialysis", [(QC["imperial_eskd"], r"haemodialysis \(end-stage kidney disease\) patients with COVID-19")]),
192
+ "bulk": ("PBMC", [(QC["imperial_eskd"], r"^- Bulk: .*PBMC RNA-seq")]),
193
+ "sc": ("10x 5′ v2 CITE-seq", [(QC["imperial_eskd"], r"^- scRNA: .*PBMC CITE-seq"),
194
+ (QC["imperial_eskd"], r"Chemistry: 10x 5′ v2")]),
195
+ },
196
+ "giroux2022": {
197
+ "study": ("Giroux 2022", [(QC["giroux2022"], r"Giroux NS et al\., Sci Rep 2022")]),
198
+ "disease": ("COVID-19, outpatient", [(QC["giroux2022"], r"Duke outpatients, early COVID-19")]),
199
+ "bulk": ("PBMC, total RNA (SoLo)", [(QC["giroux2022"], r"^# Giroux 2022 COVID-19: paired PBMC bulk and scRNA"),
200
+ (QC["giroux2022"], r"GEO protocol: Zymo Direct-zol total RNA, NuGEN Ovation SoLo")]),
201
+ "sc": ("10x 5′ v1", [(QC["giroux2022"], r"10x library per subject-day \(5' v1")]),
202
+ },
203
+ "ji2025_chili": {
204
+ "study": ("Ji 2025", [(QC["ji2025_chili"], r"Ji C et al\., Cancer Immunol Immunother 2025")]),
205
+ "disease": ("ICI liver injury", [(QC["ji2025_chili"], r"liver injury on checkpoint inhibitors \(ChILI\)")]),
206
+ "bulk": ("whole blood, 3′ QuantSeq", [(QC["ji2025_chili"], r"\*\*PAXgene whole-blood tubes\*\*"),
207
+ (QC["ji2025_chili"], r"Protocol: Lexogen QuantSeq 3′ FWD")]),
208
+ "sc": ("10x 5′", [(QC["ji2025_chili"], r"Chemistry: 10x 5′ GEX")]),
209
+ },
210
+ }
211
+ # display labels of the scorer's case / control groups; the group lists are asserted against summary.json and
212
+ # contrast_args.sh; `neither` = groups scored in neither arm of the contrast
213
+ CONTRAST = {
214
+ "ye2026_sepsis": dict(case="sepsis", control="control", case_groups=["adult_sepsis", "ped_sepsis"],
215
+ control_groups=["adult_HC", "adult_ICU_ctrl", "ped_HC", "ped_ICU_ctrl"], neither=[],
216
+ ev=[(ARGS, r'ye2026_sepsis\) echo "--case-groups adult_sepsis,ped_sepsis '
217
+ r'--control-groups adult_HC,adult_ICU_ctrl,ped_HC,ped_ICU_ctrl"')]),
218
+ "imperial_eskd": dict(case="COVID+", control="COVID−", case_groups=["covid_positive"],
219
+ control_groups=["covid_negative"], neither=["recovery"],
220
+ ev=[(ARGS, r"COVID-positive vs COVID-negative haemodialysis patients \(recovery samples in neither group\)"),
221
+ (ARGS, r'imperial_eskd\) echo "--case-groups covid_positive --control-groups covid_negative"')]),
222
+ # the GEO label is "severe"; the paper and the author sheet call this group "moderate" (all are outpatients)
223
+ "giroux2022": dict(case="moderate", control="mild", case_groups=["severe"], control_groups=["mild"], neither=[],
224
+ ev=[(QC["giroux2022"], r'The paper and the author sheet call the "severe" group "moderate"'),
225
+ (ARGS, r'giroux2022\) echo "--case-groups severe --control-groups mild"')]),
226
+ "ji2025_chili": dict(case="ChILI", control="ICI control", case_groups=["TOL", "FU1"], control_groups=["BC", "AC"],
227
+ neither=[],
228
+ ev=[(ARGS, r"ChILI patients \(liver injury and its follow-up\) vs checkpoint-inhibitor controls"),
229
+ (ARGS, r'ji2025_chili\) echo "--case-groups TOL,FU1 --control-groups BC,AC"')]),
230
+ }
231
+
232
+
233
+ def usable_folds(ds):
234
+ f = pd.read_csv(DATA / ds / "folds.csv")
235
+ f["donor_id"] = f["donor_id"].astype(str)
236
+ f["sample_id"] = f["sample_id"].astype(str)
237
+ return f[f.fold >= 0].copy()
238
+
239
+
240
+ def min_cells() -> int:
241
+ return int(re.search(r"^MIN_CELLS = (\d+)", _read_text(PREPARE), flags=re.M).group(1))
242
+
243
+
244
+ def cohort_rows():
245
+ mc = min_cells()
246
+ rows = []
247
+ for ds in ORDER:
248
+ r = {"dataset": ds}
249
+ for key, (txt, pairs) in COHORT_TEXT[ds].items():
250
+ r[key] = txt
251
+ r[f"{key}_evidence"], r[f"{key}_source"] = evidences(pairs)
252
+ dj = DATA / ds / "fewshot_n5" / "DRAWS.json"
253
+ draws = json.loads(dj.read_text())
254
+ used = usable_folds(ds)
255
+ if len(used) != draws["n_usable_rows"] or used.donor_id.nunique() != draws["n_usable_donors"]:
256
+ raise ValueError(f"{ds}: folds.csv and DRAWS.json disagree on usable rows/donors")
257
+ # exclusion tally, re-derived with prepare_dataset.py's rule: identity_pass & n_cells >= MIN_CELLS
258
+ feats = np.load(DATA / ds / "features.npz", allow_pickle=False)
259
+ samples = pd.read_csv(DATA / ds / "samples.csv")
260
+ n_all = int(feats["bulk_raw"].shape[0])
261
+ idp = feats["identity_pass"].astype(bool) if "identity_pass" in feats.files else np.ones(n_all, bool)
262
+ chk = (pd.Series(feats["identity_check"].astype(str)).str.split(":").str[0].str.strip()
263
+ if "identity_check" in feats.files else pd.Series(["(no flag)"] * n_all))
264
+ low = (samples["n_cells"].to_numpy() < mc)
265
+ n_fail, n_border = int((chk == "fail").sum()), int((chk == "borderline").sum())
266
+ if int((~idp).sum()) != n_fail + n_border:
267
+ raise ValueError(f"{ds}: identity_pass False rows != fail + borderline")
268
+ n_low = int((idp & low).sum())
269
+ if n_all - n_fail - n_border - n_low != draws["n_usable_rows"]:
270
+ raise ValueError(f"{ds}: exclusion tally does not reproduce the usable rows")
271
+ pooled_sum = json.loads((SCORES / ds / "pooled" / "summary.json").read_text())
272
+ if pooled_sum["n_donors"] != draws["n_usable_rows"]:
273
+ raise ValueError(f"{ds}: pooled scored n {pooled_sum['n_donors']} != usable rows {draws['n_usable_rows']}")
274
+ r.update(n_pairs_all=n_all, n_identity_fail=n_fail, n_identity_borderline=n_border,
275
+ n_low_cells=n_low, min_cells=mc, identity_flag=("identity_pass" in feats.files),
276
+ n_rows=draws["n_usable_rows"], n_donors=draws["n_usable_donors"], n_rows_source=str(dj),
277
+ exclusion_source=f"{DATA / ds / 'features.npz'} (identity_pass, identity_check); "
278
+ f"{DATA / ds / 'samples.csv'} (n_cells); {PREPARE} (MIN_CELLS)")
279
+ cd = pooled_sum["contrast_definition"]
280
+ psrc = str(SCORES / ds / "pooled" / "summary.json")
281
+ if ds in CONTRAST:
282
+ C = CONTRAST[ds]
283
+ if list(cd["case_groups"]) != C["case_groups"] or list(cd["control_groups"]) != C["control_groups"]:
284
+ raise ValueError(f"{ds}: contrast groups changed: {cd['case_groups']} / {cd['control_groups']}")
285
+ neither = sorted({g for g, a, b in zip(cd["groups"], cd["case"], cd["ctrl"]) if not a and not b})
286
+ if neither != sorted(C["neither"]) or (int(cd.get("n_donors_in_neither", 0)) > 0) != bool(neither):
287
+ raise ValueError(f"{ds}: groups in neither arm {neither} != expected {C['neither']}")
288
+ ev, evsrc = evidences(C["ev"])
289
+ r.update(case_label=C["case"], control_label=C["control"], n_case=int(cd["n_case_donors"]),
290
+ n_control=int(cd["n_control_donors"]), n_neither=int(cd.get("n_donors_in_neither", 0)),
291
+ neither_label=",".join(neither), contrast_source=psrc, contrast_label_evidence=ev,
292
+ contrast_label_source=evsrc)
293
+ else:
294
+ if cd.get("enabled"):
295
+ raise ValueError(f"{ds}: expected no contrast")
296
+ r.update(case_label="", control_label="", n_case=np.nan, n_control=np.nan, n_neither=0,
297
+ neither_label="", contrast_source=psrc)
298
+ rows.append(r)
299
+ return pd.DataFrame(rows)
300
+
301
+
302
+ def fig_cohorts(tab: pd.DataFrame):
303
+ """Plain table: columns are placed by measuring the rendered text, so nothing overlaps."""
304
+ headers = ["Cohort", "Condition", "Bulk", "scRNA-seq", "Pairs (donors)", "Case vs control"]
305
+ center = {4}
306
+ body = []
307
+ for r in tab.itertuples():
308
+ pd_txt = f"{r.n_rows}" if r.n_rows == r.n_donors else f"{r.n_rows} ({r.n_donors})"
309
+ ctxt = (f"{r.case_label} {int(r.n_case)} vs {r.control_label} {int(r.n_control)}" if r.case_label
310
+ else "none (healthy)")
311
+ csub = f"+{r.n_neither} {r.neither_label} (neither)" if r.n_neither else None
312
+ body.append([(r.study, {}, None), (r.disease, {}, None),
313
+ (r.bulk, {"fontweight": "bold"} if r.dataset == "ji2025_chili" else {}, None),
314
+ (r.sc, {}, None), (pd_txt, {}, None), (ctxt, {} if r.case_label else {"color": SUB}, csub)])
315
+ W, H = style.FULL[0], 3.7
316
+ fig = plt.figure(figsize=(W, H))
317
+ ax = fig.add_axes([0.0, 0.0, 1.0, 1.0])
318
+ ax.set_axis_off()
319
+ ax.set_xlim(0, 1)
320
+ ax.set_ylim(0, 1)
321
+ n = len(body)
322
+ top, rowh = 0.87, 0.84 / n
323
+ texts = [[] for _ in headers]
324
+ for j, h in enumerate(headers):
325
+ texts[j].append(ax.text(0, top + 0.055, h, ha="left", va="center", fontsize=FS, fontweight="bold",
326
+ color=style.INK))
327
+ for i, row in enumerate(body):
328
+ y = top - rowh * (i + 0.5)
329
+ for j, (txt, kw, sub) in enumerate(row):
330
+ if sub:
331
+ texts[j].append(ax.text(0, y + 0.03, txt, ha="left", va="center", fontsize=FS,
332
+ **{"color": style.INK, **kw}))
333
+ texts[j].append(ax.text(0, y - 0.035, sub, ha="left", va="center", fontsize=FS - 3, color=SUB))
334
+ else:
335
+ texts[j].append(ax.text(0, y, txt, ha="left", va="center", fontsize=FS,
336
+ **{"color": style.INK, **kw}))
337
+ fig.canvas.draw()
338
+ rend = fig.canvas.get_renderer()
339
+ widths = [max(t.get_window_extent(rend).width for t in col) / (fig.dpi * W) for col in texts]
340
+ gap = (1.0 - sum(widths)) / (len(headers) - 1)
341
+ if gap < 0.012:
342
+ raise ValueError(f"cohort table too wide for the slide (gap {gap:.3f})")
343
+ x = 0.0
344
+ for j, col in enumerate(texts):
345
+ for t in col:
346
+ if j in center:
347
+ t.set_x(x + widths[j] / 2)
348
+ t.set_ha("center")
349
+ else:
350
+ t.set_x(x)
351
+ x += widths[j] + gap
352
+ ax.plot([0, 1], [top + 0.005] * 2, color=style.INK, lw=1.2)
353
+ for i in range(1, n):
354
+ ax.plot([0, 1], [top - rowh * i] * 2, color="#C8C8C8", lw=0.7)
355
+ ax.plot([0, 1], [top - rowh * n] * 2, color=style.INK, lw=1.2)
356
+ style.save(fig, "sec09_cohorts", FIGDIR)
357
+
358
+
359
+ # ------------------------------------------------------------------------------------------
360
+ # Shared drawing helpers: rows = cohorts, columns = metrics, horizontal bars
361
+ # ------------------------------------------------------------------------------------------
362
+ BAR_H = 0.72
363
+
364
+
365
+ def jitter(n, seed):
366
+ r = np.random.default_rng(seed)
367
+ return (r.random(n) - 0.5) * BAR_H * 0.6
368
+
369
+
370
+ def hbars(ax, arms, vals_of, seed=0, dots=True):
371
+ """arms drawn top to bottom at y = 0..na-1. vals_of(arm) -> list of floats. Returns stats."""
372
+ out = {}
373
+ for i, arm in enumerate(arms):
374
+ vals = np.asarray([v for v in vals_of(arm) if not np.isnan(v)], float)
375
+ if len(vals) == 0:
376
+ ax.text(0.01, i, "not run", transform=ax.get_yaxis_transform(), va="center", fontsize=FS - 3,
377
+ color=SUB)
378
+ out[arm] = (np.nan, np.nan, 0)
379
+ continue
380
+ m = float(vals.mean())
381
+ sd = float(vals.std(ddof=1)) if len(vals) > 1 else 0.0
382
+ ax.barh(i, m, height=BAR_H, color=COL[arm], edgecolor=EDGE, linewidth=0.6, zorder=2)
383
+ if dots and len(vals) > 1:
384
+ ax.errorbar(m, i, xerr=sd, fmt="none", ecolor="#111111", elinewidth=1.0, capsize=3, capthick=1.0,
385
+ zorder=4)
386
+ # dots unclipped so a draw at an axis end (precision 1.0) stays whole; check_inside() asserts that every
387
+ # dot and bar lies within the final x-limits. SD whiskers stay clipped (a count's SD can reach below 0).
388
+ ax.scatter(vals, i + jitter(len(vals), seed + i), s=16, facecolor="white", edgecolor="#111111",
389
+ linewidth=0.7, zorder=5, clip_on=False)
390
+ out[arm] = (m, sd, len(vals))
391
+ ax.set_ylim(len(arms) - 0.5, -0.5)
392
+ ax.set_yticks([])
393
+ return out
394
+
395
+
396
+ def check_inside(fig, name):
397
+ """Every draw dot, bar end and reference line lies within its panel's final x-limits (nothing cut off)."""
398
+ from matplotlib.collections import PathCollection
399
+ from matplotlib.patches import Rectangle
400
+ for ax in fig.axes:
401
+ lo, hi = sorted(ax.get_xlim())
402
+ eps = 1e-9 * max(1.0, abs(hi - lo))
403
+ xs = [float(x) for c in ax.collections if isinstance(c, PathCollection) for x in c.get_offsets()[:, 0]]
404
+ xs += [x for p in ax.patches if isinstance(p, Rectangle) for x in (p.get_x(), p.get_x() + p.get_width())]
405
+ xs += [float(x) for ln in ax.lines for x in np.atleast_1d(ln.get_xdata()) if ln.get_linestyle() != "None"]
406
+ bad = [x for x in xs if not (lo - eps <= x <= hi + eps)]
407
+ if bad:
408
+ raise ValueError(f"{name}: value(s) {bad[:3]} outside the x-limits ({lo:.3g}, {hi:.3g})")
409
+
410
+
411
+ def ref_line(ax, x, kind, na):
412
+ """Reference line above the bars (zorder 2) but below error bars (4) and draw dots (5)."""
413
+ if x is None or np.isnan(x):
414
+ return
415
+ s = REFSTYLE[kind]
416
+ ax.plot([x, x], [-0.5, na - 0.5], ls=s["ls"], color=s["color"], lw=s["lw"], zorder=3,
417
+ solid_capstyle="butt")
418
+
419
+
420
+ def row_label(ax, name, subs):
421
+ """Cohort name (FS) with grey sub-lines (FS-3) stacked below it, the block centred on the row."""
422
+ lines = [(name, FS, style.INK)] + [(s, FS - 3, SUB) for s in subs]
423
+ y = sum(fs * 1.3 for _, fs, _ in lines) / 2
424
+ for txt, fs, col in lines:
425
+ h = fs * 1.3
426
+ ax.annotate(txt, xy=(0, 0.5), xycoords="axes fraction", xytext=(-12, y - h / 2), textcoords="offset points",
427
+ ha="right", va="center", fontsize=fs, color=col)
428
+ y -= h
429
+
430
+
431
+ def label_header(ax, text):
432
+ ax.annotate(text, xy=(0, 1), xycoords="axes fraction", xytext=(-12, 10), textcoords="offset points",
433
+ ha="right", va="bottom", fontsize=FS - 3, color=SUB, style="italic")
434
+
435
+
436
+ def blank(ax, text):
437
+ for sp in ax.spines.values():
438
+ sp.set_visible(False)
439
+ ax.set_xticks([])
440
+ ax.set_yticks([])
441
+ ax.text(0.5, 0.5, text, transform=ax.transAxes, ha="center", va="center", fontsize=FS - 3, color=SUB,
442
+ style="italic")
443
+
444
+
445
+ def grid(nrows, ncols, figsize, left, right, top, bottom, hspace, wspace):
446
+ fig = plt.figure(figsize=figsize)
447
+ gs = fig.add_gridspec(nrows, ncols, left=left / figsize[0], right=1 - right / figsize[0],
448
+ top=1 - top / figsize[1], bottom=bottom / figsize[1], hspace=hspace, wspace=wspace)
449
+ axs = np.empty((nrows, ncols), dtype=object)
450
+ for i in range(nrows):
451
+ for j in range(ncols):
452
+ axs[i, j] = fig.add_subplot(gs[i, j])
453
+ return fig, axs
454
+
455
+
456
+ def shared_x(axs_col, lo, hi, xlabel, ticks=None):
457
+ for k, ax in enumerate(axs_col):
458
+ ax.set_xlim(lo, hi)
459
+ if ticks is not None:
460
+ ax.set_xticks(ticks)
461
+ if k < len(axs_col) - 1:
462
+ ax.tick_params(axis="x", labelbottom=False, length=0)
463
+ ax.spines["bottom"].set_visible(False)
464
+ axs_col[-1].set_xlabel(xlabel)
465
+
466
+
467
+ def legend_bottom(fig, handles, ncol, y=0.0):
468
+ fig.legend(handles=handles, loc="lower center", bbox_to_anchor=(0.5, y), ncol=ncol, frameon=False,
469
+ fontsize=FS - 2, handlelength=2.2, columnspacing=1.6, borderaxespad=0.0)
470
+
471
+
472
+ def patch(key, label=None):
473
+ return Patch(facecolor=COL[key], edgecolor=EDGE, linewidth=0.6, label=label or LAB[key])
474
+
475
+
476
+ def refh(kind):
477
+ s = REFSTYLE[kind]
478
+ return Line2D([0], [0], ls=s["ls"], color=s["color"], lw=s["lw"], label=s["label"])
479
+
480
+
481
+ def dot_handle(n_draws):
482
+ lab = "one draw; bar = mean ± SD" + (f" of {n_draws}" if n_draws else "")
483
+ return Line2D([0], [0], marker="o", lw=0, markerfacecolor="white", markeredgecolor="#111111",
484
+ markersize=5, label=lab)
485
+
486
+
487
+ # ------------------------------------------------------------------------------------------
488
+ # Few-pair (5 donors) data
489
+ # ------------------------------------------------------------------------------------------
490
+ _JSON: dict = {}
491
+
492
+
493
+ def jload(p: Path):
494
+ if p not in _JSON:
495
+ _JSON[p] = json.loads(Path(p).read_text())
496
+ return _JSON[p]
497
+
498
+
499
+ def fewpair():
500
+ few, status = mf.load_fewpair(SCORES)
501
+ few = few[few.arm.isin(ARM_FILE)].reset_index(drop=True) # zero-shot baseline = raw real bulk (zs_raw) only
502
+ status.to_csv(OUTDATA / "sec09_scsemi_status.csv", index=False)
503
+ # depth-matched precision / coverage are in each call's summary.json headline (not in load_fewpair's metrics)
504
+ for k in ("precision_dm", "coverage_dm"):
505
+ few[k] = [float(jload(T / s)["headline"][ARM_FILE[a]][k]) for s, a in zip(few.source, few.arm)]
506
+ return few, status
507
+
508
+
509
+ def few_vals(few, ds, arm, metric):
510
+ s = few[(few.dataset == ds) & (few.arm == arm)].sort_values("draw")
511
+ return s[metric].astype(float).tolist(), s["draw"].tolist(), s["source"].tolist()
512
+
513
+
514
+ def few_ref(few, ds, kind, metric):
515
+ """pseudo = zero-shot from sc pseudobulk (zs_pseudo arm); broadcast = raw real bulk logFC/DEG; mean over draws."""
516
+ if kind == "pseudo":
517
+ s = few[(few.dataset == ds) & (few.arm == "pseudo")]
518
+ v = s[metric]
519
+ else:
520
+ s = few[(few.dataset == ds) & (few.arm == "lora")]
521
+ v = s["broadcast_r" if metric == "contrast_r" else "deg_broadcast"]
522
+ v = v.dropna()
523
+ return (float(v.mean()) if len(v) else np.nan), ";".join(sorted(set(s["source"])))
524
+
525
+
526
+ def n_draws(few, ds, arm):
527
+ return int(few[(few.dataset == ds) & (few.arm == arm)]["draw"].nunique())
528
+
529
+
530
+ def draw_info(few, ds):
531
+ """Training / test pairs of the scored LoRA draws (DRAWS.json), and test subjects per contrast arm."""
532
+ dj = DATA / ds / "fewshot_n5" / "DRAWS.json"
533
+ D = jload(dj)["draw"]
534
+ u = usable_folds(ds)
535
+ lora = few[(few.dataset == ds) & (few.arm == "lora")].sort_values("draw")
536
+ tr, te, n_sub, sub_cc = [], [], [], []
537
+ for r in lora.itertuples():
538
+ v = D[str(int(r.draw))] if str(int(r.draw)) in D else D[int(r.draw)]
539
+ if int(r.n_scored) != int(v["n_test_rows"]):
540
+ raise ValueError(f"{ds} draw {r.draw}: scored n {r.n_scored} != DRAWS n_test_rows {v['n_test_rows']}")
541
+ train = {str(x) for x in v["train_donors"]}
542
+ if int(u[u.donor_id.isin(train)].shape[0]) != int(v["n_train_rows"]):
543
+ raise ValueError(f"{ds} draw {r.draw}: train rows in folds.csv != DRAWS n_train_rows")
544
+ tr.append(int(v["n_train_rows"]))
545
+ te.append(int(r.n_scored))
546
+ test = u[~u.donor_id.isin(train)]
547
+ n_sub.append(int(test.donor_id.nunique()))
548
+ if ds in CONTRAST:
549
+ C = CONTRAST[ds]
550
+ cs = set(test[test.group.isin(C["case_groups"])].donor_id)
551
+ ct = set(test[test.group.isin(C["control_groups"])].donor_id)
552
+ sub_cc.append((len(cs), len(ct)))
553
+ return {"train": rng(tr), "test": rng(te), "n_train": tr, "n_test": te, "n_test_subjects": n_sub,
554
+ "subjects_cc": sub_cc, "n_draws": len(tr), "source": str(dj)}
555
+
556
+
557
+ def subjects_text(info):
558
+ """'2 vs 2' when a cohort's test set holds few subjects (< 10) per draw; else ''."""
559
+ if not info["subjects_cc"] or max(info["n_test_subjects"]) >= 10:
560
+ return ""
561
+ a = rng([c for c, _ in info["subjects_cc"]])
562
+ b = rng([t for _, t in info["subjects_cc"]])
563
+ return f"{a} vs {b}"
564
+
565
+
566
+ def row_subs(info, per_row_draws):
567
+ subs = [f"train {info['train']} / test {info['test']}"]
568
+ st = subjects_text(info)
569
+ if st:
570
+ subs.append(f"test = {st} subjects")
571
+ if per_row_draws:
572
+ subs.append(f"{info['n_draws']} draws")
573
+ return subs
574
+
575
+
576
+ def long_rows(fig, few, datasets, arms, metrics, refs):
577
+ rows = []
578
+ for ds in datasets:
579
+ for metric in metrics:
580
+ for arm in arms:
581
+ vals, draws, srcs = few_vals(few, ds, arm, metric)
582
+ for v, d, s in zip(vals, draws, srcs):
583
+ rows.append({"figure": fig, "dataset": ds, "metric": metric, "series": arm, "kind": "draw",
584
+ "draw": d, "value": v, "source": s})
585
+ vv = [v for v in vals if not np.isnan(v)]
586
+ if vv:
587
+ rows.append({"figure": fig, "dataset": ds, "metric": metric, "series": arm, "kind": "mean",
588
+ "draw": "", "value": float(np.mean(vv)),
589
+ "sd": float(np.std(vv, ddof=1)) if len(vv) > 1 else 0.0, "n_draws": len(vv),
590
+ "source": "derived: mean/SD of the draw rows"})
591
+ for kind in refs.get(metric, []):
592
+ v, s = few_ref(few, ds, kind, metric)
593
+ rows.append({"figure": fig, "dataset": ds, "metric": metric, "series": f"ref_{kind}",
594
+ "kind": "reference (mean over draws)", "draw": "", "value": v, "source": s})
595
+ return rows
596
+
597
+
598
+ def same_draw_compare(few, status, datasets, metric, lower_better=False, min_margin=0.0, other="scsemi5"):
599
+ """LoRA-5 vs another arm (scSemi-5 by default, or zero-shot zs_raw) draw by draw, on the draws where both
600
+ exist (same test pairs; scSemi-5 draws only when load_fewpair accepted them).
601
+
602
+ Per draw: LoRA better / other better / tie (equal values). Cohort verdict:
603
+ 'tie' if at least half the shared draws tie, or |mean difference| < min_margin;
604
+ 'lora' if LoRA is better in >= WIN_FRAC of the shared draws;
605
+ 'other' if the other arm is better in >= WIN_FRAC of the shared draws;
606
+ 'split' otherwise.
607
+ """
608
+ used = status[status.status == "used"]
609
+ res = {}
610
+ for ds in datasets:
611
+ a = few[(few.dataset == ds) & (few.arm == "lora")].set_index("draw")[metric].astype(float)
612
+ b = few[(few.dataset == ds) & (few.arm == other)].set_index("draw")[metric].astype(float)
613
+ cand = sorted(used[used.dataset == ds]["draw"]) if other == "scsemi5" else sorted(a.index)
614
+ dr = [d for d in cand if d in a.index and d in b.index and not (np.isnan(a[d]) or np.isnan(b[d]))]
615
+ if not dr:
616
+ continue
617
+ d = (a[dr] - b[dr]) * (-1.0 if lower_better else 1.0) # > 0: LoRA better
618
+ nL, nO = int((d > 0).sum()), int((d < 0).sum())
619
+ nT = len(dr) - nL - nO
620
+ mdiff = float(a[dr].mean() - b[dr].mean())
621
+ if 2 * nT >= len(dr) or abs(mdiff) < min_margin:
622
+ verdict = "tie"
623
+ elif nL >= WIN_FRAC * len(dr):
624
+ verdict = "lora"
625
+ elif nO >= WIN_FRAC * len(dr):
626
+ verdict = "other"
627
+ else:
628
+ verdict = "split"
629
+ res[ds] = dict(lora=float(a[dr].mean()), other=float(b[dr].mean()), n=len(dr), n_lora=nL, n_other=nO,
630
+ n_tie=nT, verdict=verdict, draws=dr)
631
+ return res
632
+
633
+
634
+ def l1_vs_zeroshot_per_donor(ds):
635
+ """LoRA-5 minus zero-shot (raw real bulk, arm zs_raw) composition L1, averaged per donor over every draw the
636
+ donor was tested in, then a Wilcoxon signed-rank test over donors (units repeat across draws, so donor-draw
637
+ rows are not independent). The donor-draw row test is returned too, for the CSV only."""
638
+ s2d = dict(zip(usable_folds(ds).sample_id, usable_folds(ds).donor_id))
639
+ parts = []
640
+ for j, p in mf.draw_dirs(SCORES / ds / "fewshot_n5"):
641
+ pdn = pd.read_csv(p / "per_donor.csv", usecols=["arm", "donor", "comp_l1"])
642
+ w = pdn[pdn.arm.isin(["lora5", "zs_raw"])].pivot(index="donor", columns="arm", values="comp_l1")
643
+ if w[["lora5", "zs_raw"]].isna().any().any():
644
+ raise ValueError(f"{p}: per_donor.csv lacks lora5 or zs_raw rows for some donors")
645
+ x = (w["lora5"] - w["zs_raw"]).rename("diff").reset_index()
646
+ x["draw"] = j
647
+ parts.append(x)
648
+ x = pd.concat(parts)
649
+ x["donor_id"] = x["donor"].astype(str).map(s2d)
650
+ if x["donor_id"].isna().any():
651
+ raise ValueError(f"{ds}: per_donor units missing from folds.csv")
652
+ per = x.groupby("donor_id")["diff"].mean()
653
+ return dict(n_donors=int(len(per)), n_rows=int(len(x)), mean_diff=float(per.mean()),
654
+ frac_better=float((per < 0).mean()), p=float(wilcoxon(per).pvalue),
655
+ row_mean_diff=float(x["diff"].mean()), row_p=float(wilcoxon(x["diff"]).pvalue),
656
+ source=f"{SCORES / ds / 'fewshot_n5'}/draw<j>/per_donor.csv (comp_l1, arms lora5 / zs_raw); "
657
+ f"{DATA / ds / 'folds.csv'} (sample -> donor)")
658
+
659
+
660
+ # ------------------------------------------------------------------------------------------
661
+ # Slide b: 5 donors, cells
662
+ # ------------------------------------------------------------------------------------------
663
+ def fig_fewpair_cells(few, info):
664
+ arms = ["zs_raw", "scsemi5", "lora"]
665
+ metrics = [("coverage", "Coverage ↑", (0, 1.0), [0, 0.5, 1.0]),
666
+ ("precision", "Precision ↑", (0, 1.0), [0, 0.5, 1.0]),
667
+ ("comp_l1", "Composition L1 ↓", None, None)]
668
+ nd_all = {info[d]["n_draws"] for d in ORDER}
669
+ per_row = len(nd_all) > 1
670
+ fig, axs = grid(len(ORDER), len(metrics), style.FULL, left=LEFT_IN, right=0.15, top=0.45, bottom=1.25,
671
+ hspace=0.22, wspace=0.10)
672
+ l1max = 0.0
673
+ for i, ds in enumerate(ORDER):
674
+ nl = n_draws(few, ds, "lora")
675
+ ns = n_draws(few, ds, "scsemi5")
676
+ for j, (mk, _, _, _) in enumerate(metrics):
677
+ ax = axs[i, j]
678
+ st = hbars(ax, arms, lambda a: few_vals(few, ds, a, mk)[0], seed=17 * i + j)
679
+ ref = few_ref(few, ds, "pseudo", mk)[0]
680
+ ref_line(ax, ref, "pseudo", len(arms))
681
+ if mk == "comp_l1":
682
+ allv = [v for a in arms for v in few_vals(few, ds, a, mk)[0] if not np.isnan(v)] + [ref]
683
+ l1max = max([l1max, np.nanmax(allv)] + [m + sd for m, sd, n in st.values() if n])
684
+ elif max([v for a in arms for v in few_vals(few, ds, a, mk)[0] if not np.isnan(v)] + [ref]) > 1.0:
685
+ raise ValueError(f"{ds} {mk}: value above the fixed 0-1 axis")
686
+ if j == 0 and 0 < ns < nl:
687
+ m, sd, n = st["scsemi5"]
688
+ ax.text(max(m + sd, max(few_vals(few, ds, "scsemi5", mk)[0])) + 0.03, 1, f"{ns} of {nl} draws",
689
+ va="center", ha="left", fontsize=FS - 3, color="#8A5A00")
690
+ row_label(axs[i, 0], ROWNAME[ds], row_subs(info[ds], per_row))
691
+ label_header(axs[0, 0], "pairs per draw")
692
+ for j, (mk, lab, lim, ticks) in enumerate(metrics):
693
+ if lim is None: # raw zero-shot L1 reaches ~0.8: the axis follows the data (every draw dot and SD bar)
694
+ lim = (0, np.ceil(l1max * 1.08 * 10) / 10)
695
+ ticks = [round(t, 1) for t in np.arange(0, lim[1] + 1e-9, 0.2)]
696
+ shared_x(axs[:, j], lim[0], lim[1], lab, ticks)
697
+ handles = [patch("zs_raw"), patch("scsemi5"), patch("lora"), refh("pseudo"),
698
+ dot_handle(None if per_row else nd_all.pop())]
699
+ legend_bottom(fig, handles, ncol=3)
700
+ check_inside(fig, "sec09_fewpair_cells")
701
+ style.save(fig, "sec09_fewpair_cells", FIGDIR)
702
+ rows = long_rows("sec09_fewpair_cells", few, ORDER, arms, [m[0] for m in metrics] + ["precision_dm", "coverage_dm"],
703
+ {"coverage": ["pseudo"], "precision": ["pseudo"], "comp_l1": ["pseudo"]})
704
+ pd.DataFrame(rows).to_csv(OUTDATA / "sec09_fewpair_cells.csv", index=False, float_format="%.6g")
705
+
706
+
707
+ # ------------------------------------------------------------------------------------------
708
+ # Slide c: 5 donors, disease signal
709
+ # ------------------------------------------------------------------------------------------
710
+ def fmt_deg(v):
711
+ return f"{v:.1f}" if v < 10 else f"{v:.0f}"
712
+
713
+
714
+ def fig_fewpair_disease(few, info):
715
+ arms = ["zs_raw", "scsemi5", "lora"]
716
+ nd_all = {info[d]["n_draws"] for d in DISEASE}
717
+ per_row = len(nd_all) > 1
718
+ fig, axs = grid(len(DISEASE), 2, style.TALL, left=LEFT_IN, right=0.25, top=0.45, bottom=1.55,
719
+ hspace=0.45, wspace=0.12)
720
+ rmin, rmax = 0.0, 0.0
721
+ for i, ds in enumerate(DISEASE):
722
+ nl = n_draws(few, ds, "lora")
723
+ ns = n_draws(few, ds, "scsemi5")
724
+ # logFC r
725
+ ax = axs[i, 0]
726
+ hbars(ax, arms, lambda a: few_vals(few, ds, a, "contrast_r")[0], seed=31 * i)
727
+ bc = few_ref(few, ds, "broadcast", "contrast_r")[0]
728
+ ref_line(ax, bc, "broadcast", len(arms))
729
+ ax.axvline(0, color="#555555", lw=0.8, zorder=1)
730
+ ax.spines["left"].set_visible(False)
731
+ allv = [v for a in arms for v in few_vals(few, ds, a, "contrast_r")[0] if not np.isnan(v)] + [bc]
732
+ rmin, rmax = min(rmin, min(allv)), max(rmax, max(allv))
733
+ if ns < nl:
734
+ ax.text(1.0, 1, f"{ns} of {nl} draws", transform=ax.get_yaxis_transform(), va="center", ha="right",
735
+ fontsize=FS - 3, color="#8A5A00")
736
+ # top-50 DEG, own scale per cohort
737
+ ax = axs[i, 1]
738
+ st = hbars(ax, arms, lambda a: few_vals(few, ds, a, "deg")[0], seed=37 * i)
739
+ bcd = few_ref(few, ds, "broadcast", "deg")[0]
740
+ ref_line(ax, bcd, "broadcast", len(arms))
741
+ hi = max([bcd] + [v for a in arms for v in few_vals(few, ds, a, "deg")[0] if not np.isnan(v)])
742
+ hi = max(hi, 4.0)
743
+ ax.set_xlim(0, hi * 1.40)
744
+ ax.xaxis.set_major_locator(MaxNLocator(nbins=3, integer=True))
745
+ for k, a in enumerate(arms):
746
+ m, sd, n = st[a]
747
+ if n:
748
+ ax.text(0.995, k, fmt_deg(m), transform=ax.get_yaxis_transform(), va="center", ha="right",
749
+ fontsize=FS - 3, color=SUB)
750
+ row_label(axs[i, 0], ROWNAME[ds], row_subs(info[ds], per_row))
751
+ label_header(axs[0, 0], "pairs per draw")
752
+ lo = min(-0.1, np.floor(rmin * 10) / 10)
753
+ hi = max(0.9, np.ceil(rmax * 10) / 10 + 0.05)
754
+ shared_x(axs[:, 0], lo, hi, "Disease logFC r ↑", [0, 0.4, 0.8])
755
+ axs[-1, 1].set_xlabel("Top-50 DEG overlap ↑")
756
+ for ax in axs[:, 1]:
757
+ ax.tick_params(axis="x", labelsize=FS - 3)
758
+ handles = [patch("zs_raw"), patch("scsemi5"), patch("lora"), refh("broadcast"),
759
+ dot_handle(None if per_row else nd_all.pop())]
760
+ legend_bottom(fig, handles, ncol=2)
761
+ check_inside(fig, "sec09_fewpair_disease")
762
+ style.save(fig, "sec09_fewpair_disease", FIGDIR)
763
+ rows = long_rows("sec09_fewpair_disease", few, DISEASE, arms, ["contrast_r", "deg"],
764
+ {"contrast_r": ["broadcast"], "deg": ["broadcast"]})
765
+ pd.DataFrame(rows).to_csv(OUTDATA / "sec09_fewpair_disease.csv", index=False, float_format="%.6g")
766
+
767
+
768
+ # ------------------------------------------------------------------------------------------
769
+ # Slide d: all pairs, 5-fold pooled
770
+ # ------------------------------------------------------------------------------------------
771
+ def baselines_text(vals):
772
+ """'0.11' when both baselines round to the same 2 decimals, else '0.10–0.12'."""
773
+ s = sorted({f"{v:.2f}" for v in vals})
774
+ return s[0] if len(s) == 1 else f"{s[0]}–{s[-1]}"
775
+
776
+
777
+ def fig_fivefold(pooled, tab):
778
+ arms = ["zs_raw", "sconly", "lora"]
779
+ metrics = [("coverage", "Coverage ↑"), ("contrast_r", "Disease logFC r ↑"), ("deg", "Top-50 DEG overlap ↑")]
780
+ fig, axs = grid(len(ORDER), 3, style.FULL, left=LEFT_IN, right=0.35, top=0.45, bottom=1.25,
781
+ hspace=0.40, wspace=0.12)
782
+ rows = []
783
+ ji_note = None
784
+ tabi = tab.set_index("dataset")
785
+
786
+ def src(m, mk):
787
+ return m.get("deg_source", m["source"]) if mk == "deg" else m["source"]
788
+
789
+ for i, ds in enumerate(ORDER):
790
+ P = pooled[ds]
791
+ for j, (mk, _) in enumerate(metrics):
792
+ ax = axs[i, j]
793
+ if ds == "ji2025_chili":
794
+ ax.set_facecolor(HILITE)
795
+ if mk in ("contrast_r", "deg") and ds == "immicro":
796
+ blank(ax, "healthy cohort: no contrast")
797
+ continue
798
+ hbars(ax, arms, lambda a: [P[POOLED_ARMS[a]][mk]], dots=False)
799
+ for a in arms:
800
+ rows.append({"figure": "sec09_fivefold", "dataset": ds, "metric": mk, "series": a,
801
+ "arm_file": POOLED_ARMS[a], "value": P[POOLED_ARMS[a]][mk],
802
+ "n_scored": P[POOLED_ARMS[a]]["n_scored"], "source": src(P[POOLED_ARMS[a]], mk)})
803
+ if mk == "coverage":
804
+ ref = P["zs__pseudo"]["coverage"]
805
+ ref_line(ax, ref, "pseudo", len(arms))
806
+ rows.append({"figure": "sec09_fivefold", "dataset": ds, "metric": mk, "series": "ref_pseudo",
807
+ "arm_file": "zs__pseudo", "value": ref, "source": P["zs__pseudo"]["source"]})
808
+ else:
809
+ m = P["real_lora__raw"]
810
+ ref = m["broadcast_r"] if mk == "contrast_r" else m["deg_broadcast"]
811
+ ref_line(ax, ref, "broadcast", len(arms))
812
+ rows.append({"figure": "sec09_fivefold", "dataset": ds, "metric": mk, "series": "ref_broadcast",
813
+ "arm_file": "real_lora__raw (raw real bulk)", "value": ref, "source": src(m, mk)})
814
+ if mk == "deg":
815
+ hi = max([ref] + [P[POOLED_ARMS[a]]["deg"] for a in arms] + [4.0])
816
+ ax.set_xlim(0, hi * 1.25)
817
+ ax.xaxis.set_major_locator(MaxNLocator(nbins=3, integer=True))
818
+ ax.tick_params(axis="x", labelsize=FS - 3)
819
+ for k, a in enumerate(arms):
820
+ v = P[POOLED_ARMS[a]]["deg"]
821
+ ax.text(v + hi * 0.03, k, f"{v:.0f}", va="center", ha="left", fontsize=FS - 3, color=SUB)
822
+ if mk == "contrast_r":
823
+ ax.axvline(0, color="#555555", lw=0.8, zorder=1)
824
+ ax.spines["left"].set_visible(False)
825
+ if ds == "ji2025_chili" and mk == "coverage":
826
+ v_zs = P[POOLED_ARMS["zs_raw"]]["coverage"]
827
+ v_sc = P[POOLED_ARMS["sconly"]]["coverage"]
828
+ v_lo = P[POOLED_ARMS["lora"]]["coverage"]
829
+ txt = ax.text(max(v_zs, v_sc) + 0.03, 0.5, f"baselines {baselines_text([v_zs, v_sc])}",
830
+ va="center", ha="left", fontsize=FS - 2, color="#5A5A5A")
831
+ ji_note = (txt, ax, P["zs__pseudo"]["coverage"])
832
+ ax.text(v_lo + 0.02, 2, f"{v_lo:.2f}", va="center", ha="left", fontsize=FS - 3, color=SUB)
833
+ n = P["real_lora__raw"]["n_scored"]
834
+ nd = int(tabi.loc[ds, "n_donors"])
835
+ if int(tabi.loc[ds, "n_rows"]) != int(n):
836
+ raise ValueError(f"{ds}: pooled n {n} != usable rows")
837
+ row_label(axs[i, 0], ROWNAME[ds], [f"n={n}" + (f" ({nd} donors)" if nd != n else "")])
838
+ shared_x(axs[:, 0], 0, 1.0, metrics[0][1], [0, 0.5, 1.0])
839
+ # the Ji annotation must end left of the pseudobulk reference line (checked on the final x scale)
840
+ txt, ax, ref = ji_note
841
+ fig.canvas.draw()
842
+ x1 = ax.transData.inverted().transform(txt.get_window_extent(fig.canvas.get_renderer()))[1, 0]
843
+ if x1 >= ref - 0.01:
844
+ raise ValueError(f"Ji annotation ends at {x1:.2f}, over the pseudobulk reference line at {ref:.2f}")
845
+ rvals = [r["value"] for r in rows if r["metric"] == "contrast_r"]
846
+ shared_x(axs[1:, 1], min(-0.1, np.floor(min(rvals) * 10) / 10), max(0.9, np.ceil(max(rvals) * 10) / 10),
847
+ metrics[1][1], [0, 0.4, 0.8])
848
+ axs[-1, 2].set_xlabel(metrics[2][1])
849
+ handles = [patch("zs_raw"), patch("sconly"), patch("lora", LAB["lora_all"]), refh("pseudo"),
850
+ refh("broadcast")]
851
+ legend_bottom(fig, handles, ncol=3)
852
+ check_inside(fig, "sec09_fivefold")
853
+ style.save(fig, "sec09_fivefold", FIGDIR)
854
+ pd.DataFrame(rows).to_csv(OUTDATA / "sec09_fivefold.csv", index=False, float_format="%.6g")
855
+ return rows
856
+
857
+
858
+ # ------------------------------------------------------------------------------------------
859
+ # Slide text: every keyword / footnote / quoted number is built here from the same data
860
+ # ------------------------------------------------------------------------------------------
861
+ BANNED = ("novel", "powerful", "robust", "state-of-the-art", "seamless", "leverage")
862
+
863
+
864
+ def n_words(s):
865
+ return sum(1 for t in s.split() if re.search(r"[A-Za-z0-9]", t))
866
+
867
+
868
+ def check_text(s, what):
869
+ if any(b in s.lower() for b in BANNED) or re.search(r"[가-힣]", s):
870
+ raise ValueError(f"banned word / Korean in {what}: {s!r}")
871
+ if OFF_STORY.search(s):
872
+ raise ValueError(f"off-story (input adjustment) wording in {what}: {s!r}")
873
+ return s
874
+
875
+
876
+ def check_keywords(kws):
877
+ if len(kws) > 3:
878
+ raise ValueError(f"more than 3 keyword lines: {kws}")
879
+ for k in kws:
880
+ if n_words(k) > 7:
881
+ raise ValueError(f"keyword over 7 words: {k!r}")
882
+ if len(k) > KW_MAX_CHARS:
883
+ raise ValueError(f"keyword over {KW_MAX_CHARS} characters ({len(k)}): {k!r}")
884
+ check_text(k, "keyword")
885
+ return kws
886
+
887
+
888
+ def check_foot_short(s):
889
+ """One on-slide line: <= FOOT_SHORT_MAX characters, no file paths."""
890
+ if len(s) > FOOT_SHORT_MAX or "\n" in s:
891
+ raise ValueError(f"footnote_short over {FOOT_SHORT_MAX} characters ({len(s)}): {s!r}")
892
+ if re.search(r"/home|\b(scores|data|runs|tools|figures)/|\.(json|csv|npz|md|py|pt)\b", s):
893
+ raise ValueError(f"file path in footnote_short: {s!r}")
894
+ return check_text(s, "footnote_short")
895
+
896
+
897
+ def keyword_or_short(long, short):
898
+ """The long wording when it fits a keyword line, else the short one (both computed from the same numbers)."""
899
+ return long if len(long) <= KW_MAX_CHARS else short
900
+
901
+
902
+ def names(dss):
903
+ return ", ".join(NAME[d] for d in dss)
904
+
905
+
906
+ def fmt_p(p):
907
+ return f"{p:.0e}" if p < 0.01 else f"{p:.2f}"
908
+
909
+
910
+ def main():
911
+ FIGDIR.mkdir(parents=True, exist_ok=True)
912
+ OUTDATA.mkdir(parents=True, exist_ok=True)
913
+
914
+ tab = cohort_rows()
915
+ tab.to_csv(OUTDATA / "sec09_cohorts.csv", index=False)
916
+ fig_cohorts(tab)
917
+
918
+ few, status = fewpair()
919
+ info = {ds: draw_info(few, ds) for ds in ORDER}
920
+ pooled, calls = mf.load_pooled(SCORES)
921
+ fig_fewpair_cells(few, info)
922
+ fig_fewpair_disease(few, info)
923
+ fig_fivefold(pooled, tab)
924
+
925
+ used = status[status.status == "used"]
926
+ run_json = T / "runs" / "immicro" / "fewshot_n5" / "draw0" / "lora" / "RUN.json"
927
+ evidence(run_json, re.escape(CKPT)) # the few-pair LoRA runs start from the final checkpoint
928
+ steps = int(re.search(r'"fixed_steps": (\d+)', evidence(run_json, r'"fixed_steps": \d+')).group(1))
929
+ lora_r = re.search(r"LoRA r = (\d+)", evidence(README, r"LoRA r = \d+ \(1\.3 M")).group(1)
930
+ sampling = match_text(README, r"test donors only, 1,500 cells each, seed \d+, DDIM 50, EMA, Bernoulli read-out")
931
+ early = match_text(README, r"About 10 % of each fold's training donors are inner-validation, used only for early stopping")
932
+ pc_def = match_text(SCORE_FT, r"precision/coverage/density \(PCA-50 \+ k = 10 balls fitted on the scored donors' observed R1 cells\)")
933
+ pca_n = {int(jload(SCORES / ds / "fewshot_n5" / "draw0" / "summary.json")["reference"]["pca"]["n_components"])
934
+ for ds in ORDER}
935
+ if pca_n != {50}:
936
+ raise ValueError(f"PCA components differ from the footnote: {pca_n}")
937
+ ddef = jload(SCORES / "ji2025_chili" / "fewshot_n5" / "draw0" / "summary.json")["deg_definition"]
938
+ if not ("welch_bh_deg" in ddef["functions"] and ddef["top_n"] == 50 and len(ddef["types"]) == 5):
939
+ raise ValueError("DEG definition differs from the footnote")
940
+ n_types = len(ddef["types"])
941
+ base_src = f"{run_json}; {README}"
942
+ slides = []
943
+
944
+ # ---------------- slide a ----------------
945
+ tot_rows, tot_donors = int(tab.n_rows.sum()), int(tab.n_donors.sum())
946
+ n_all = int(tab.n_pairs_all.sum())
947
+ n_fail, n_bord, n_low = int(tab.n_identity_fail.sum()), int(tab.n_identity_borderline.sum()), int(tab.n_low_cells.sum())
948
+ ji = tab.set_index("dataset").loc["ji2025_chili"]
949
+ if not ji.bulk.startswith("whole blood"):
950
+ raise ValueError("Ji bulk label changed")
951
+ noflag = [NAME[d] for d in tab[~tab.identity_flag].dataset]
952
+ multi = [NAME[d] for d in tab[tab.n_rows != tab.n_donors].dataset]
953
+ kw_a = check_keywords([f"{tot_rows} paired samples, {tot_donors} donors",
954
+ "Only identity-pass pairs; donor-level splits",
955
+ "Ji bulk: whole blood, not PBMC"])
956
+ foot_a = (f"Usable pair = passed the pairing identity check and >= {int(tab.min_cells.iloc[0])} cells "
957
+ f"(fold >= 0 in data/<cohort>/folds.csv); dropped {n_fail} identity-fail, {n_bord} borderline and "
958
+ f"{n_low} low-cell pairs of {n_all}. {', '.join(noflag)}: no identity flag, all used. "
959
+ f"{', '.join(multi)}: several pairs per donor. Case vs control = samples in "
960
+ f"scores/<cohort>/pooled/summary.json. Giroux 'moderate' = GEO 'severe' (paper term). "
961
+ f"Labels: data/<cohort>/QC_REPORT.md; ImMicro: GEO GSE314922/GSE314416.")
962
+ num("a", f"{tot_rows} paired samples (sum of usable rows)", f"{DATA}/<cohort>/fewshot_n5/DRAWS.json (n_usable_rows)")
963
+ num("a", f"{tot_donors} donors (sum of usable donors)", f"{DATA}/<cohort>/fewshot_n5/DRAWS.json (n_usable_donors)")
964
+ num("a", f"dropped {n_fail} identity-fail, {n_bord} borderline, {n_low} < {int(tab.min_cells.iloc[0])} cells, of {n_all}",
965
+ f"{DATA}/<cohort>/features.npz (identity_pass, identity_check); samples.csv (n_cells); {PREPARE} (MIN_CELLS)")
966
+ for r in tab.itertuples():
967
+ v = f"{NAME[r.dataset]} {r.n_rows} pairs / {r.n_donors} donors"
968
+ s = r.n_rows_source
969
+ if r.case_label:
970
+ v += f"; {r.case_label} {int(r.n_case)} vs {r.control_label} {int(r.n_control)}"
971
+ if r.n_neither:
972
+ v += f" (+{r.n_neither} {r.neither_label}, neither)"
973
+ s += f"; {r.contrast_source}"
974
+ num("a", v, s)
975
+ fs_a = check_foot_short(f"Usable pair = passed identity check and ≥ {int(tab.min_cells.iloc[0])} cells: "
976
+ f"{tot_rows} of {n_all} pairs; donor-level splits.")
977
+ slides.append({"title": "Five paired cohorts", "layout": "full",
978
+ "figures": [str(FIGDIR / "sec09_cohorts.png")], "keywords": kw_a, "footnote": foot_a,
979
+ "footnote_short": fs_a, "numbers": NUMS["a"]})
980
+
981
+ # ---------------- slide b ----------------
982
+ mk_b = (("coverage", False), ("precision", False), ("comp_l1", True), ("coverage_dm", False),
983
+ ("precision_dm", False))
984
+ cmp_b = {mk: same_draw_compare(few, status, ORDER, mk, lower) for mk, lower in mk_b}
985
+ cmp_bz = {mk: same_draw_compare(few, status, ORDER, mk, lower, other="zs_raw") for mk, lower in mk_b}
986
+ wins = {mk: sum(v["verdict"] == "lora" for v in c.values()) for mk, c in cmp_b.items()}
987
+ wins_z = {mk: sum(v["verdict"] == "lora" for v in c.values()) for mk, c in cmp_bz.items()}
988
+ ncoh = {mk: len(c) for mk, c in cmp_b.items()}
989
+ if ncoh["coverage"] != len(ORDER):
990
+ raise ValueError("a cohort has no shared scSemiProfiler draw")
991
+ if any(len(c) != len(ORDER) for c in cmp_bz.values()):
992
+ raise ValueError("a cohort has no zero-shot draw")
993
+ nb = len(ORDER)
994
+ if wins["coverage"] == wins["precision"]:
995
+ kw_b1 = f"LoRA-5 > scSemi-5: coverage, precision {wins['coverage']}/{nb}"
996
+ else:
997
+ kw_b1 = f"Beats scSemi-5: coverage {wins['coverage']}/{nb}, precision {wins['precision']}/{nb}"
998
+
999
+ def span(v):
1000
+ return f"{min(v):.2f}–{max(v):.2f}"
1001
+
1002
+ cov_mean = {a: [float(np.mean(few_vals(few, d, a, "coverage")[0])) for d in ORDER]
1003
+ for a in ("lora", "scsemi5", "zs_raw")}
1004
+ kw_b2 = f"LoRA-5 coverage {span(cov_mean['lora'])}; scSemi-5 {span(cov_mean['scsemi5'])}"
1005
+ l1t = {ds: l1_vs_zeroshot_per_donor(ds) for ds in ORDER}
1006
+ gain = [d for d in ORDER if l1t[d]["p"] < 0.05 and l1t[d]["mean_diff"] < 0]
1007
+ others = [d for d in ORDER if d not in gain]
1008
+ if not gain:
1009
+ kw_b3 = "No composition gain vs zero-shot"
1010
+ elif not others:
1011
+ kw_b3 = "Lower L1 than zero-shot: all cohorts"
1012
+ elif len(gain) >= len(others):
1013
+ kw_b3 = keyword_or_short(f"Lower L1 than zero-shot: all but {names(others)}",
1014
+ f"Lower L1 than zero-shot: {len(gain)}/{nb}")
1015
+ else:
1016
+ kw_b3 = keyword_or_short(f"Lower L1 than zero-shot: {names(gain)} only",
1017
+ f"Lower L1 than zero-shot: {len(gain)}/{nb}")
1018
+ kw_b = check_keywords([kw_b1, kw_b2, kw_b3])
1019
+ l1_split = [d for d, v in cmp_b["comp_l1"].items() if v["verdict"] != "lora"]
1020
+ dm_c = {a: [cmp_b["coverage_dm"][d][k] for d in ORDER] for a, k in (("lora", "lora"), ("scsemi5", "other"))}
1021
+ if wins["coverage_dm"] != wins["coverage"] or wins["precision_dm"] != wins["precision"]:
1022
+ raise ValueError("depth-matched ranking differs from raw P/C: rewrite the 'same ranking' footnote")
1023
+ tr_all = [x for d in ORDER for x in info[d]["n_train"]]
1024
+ missing = status[status.status != "used"]
1025
+ miss_txt = ", ".join(f"{NAME[r.dataset]} draw{r.draw}" for r in missing.itertuples())
1026
+ ns_used, ns_all = len(used), len(status)
1027
+ zs_pc = (f"coverage {wins_z['coverage']}/{nb}, precision {wins_z['precision']}/{nb}, "
1028
+ f"depth-matched {wins_z['coverage_dm']}/{nb} and {wins_z['precision_dm']}/{nb}")
1029
+ foot_b = (f"Base f01 6k·1x·E16 (EMA, DDIM 50) + LoRA r={lora_r}, {steps:,} steps. LoRA-5 / scSemi-5 = LoRA / "
1030
+ f"scSemiProfiler trained on the same 5 donors ({min(tr_all)}–{max(tr_all)} pairs); test = all other usable "
1031
+ f"pairs. Zero-shot = base model without fine-tuning, fed each test pair's real bulk as measured (same "
1032
+ f"call as LoRA-5). scSemi-5 scored in a separate call, same test set and reference (sha-checked); "
1033
+ f"{ns_used}/{ns_all} draws" + (f" (missing: {miss_txt})" if len(missing) else "") + ". "
1034
+ f"Verdict = better in >= 80% of shared draws. LoRA-5 lower L1 than scSemi-5 in {wins['comp_l1']}/{nb}"
1035
+ + (f" ({', '.join(f'{NAME[d]} {cmp_b['comp_l1'][d]['verdict']} {cmp_b['comp_l1'][d]['n_lora']}/{cmp_b['comp_l1'][d]['n']}' for d in l1_split)})"
1036
+ if l1_split else "")
1037
+ + f". LoRA-5 > zero-shot: {zs_pc} cohorts. Depth-matched P/C vs scSemi-5: same ranking, coverage "
1038
+ f"LoRA-5 {span(dm_c['lora'])} vs scSemi-5 {span(dm_c['scsemi5'])}. L1 LoRA-5 minus zero-shot, per-donor "
1039
+ f"Wilcoxon (gain = p < 0.05): " + ", ".join(f"{NAME[d]} {l1t[d]['mean_diff']:+.2f} (p {fmt_p(l1t[d]['p'])})"
1040
+ for d in ORDER)
1041
+ + ". scANVI labels; P/C = PCA-50, k=10 balls. Scores: scores/<cohort>/fewshot_n5/.")
1042
+ nd_b = sorted({info[d]["n_draws"] for d in ORDER})
1043
+ fs_b = check_foot_short(f"{rng(nd_b)} draws per cohort; test = all other usable pairs. Zero-shot = base model "
1044
+ f"on real bulk. scANVI labels.")
1045
+ scs = f"{SCORES}/<cohort>/fewshot_n5/draw<j>/summary.json and draw<j>_scsemi5/summary.json"
1046
+ for mk in ("coverage", "precision", "comp_l1", "coverage_dm", "precision_dm"):
1047
+ c = cmp_b[mk]
1048
+ num("b", f"LoRA-5 vs scSemi-5 {mk} (shared-draw means; LoRA-better draws/n; verdict): " +
1049
+ "; ".join(f"{NAME[d]} {v['lora']:.3f} vs {v['other']:.3f} ({v['n_lora']}/{v['n']}, {v['verdict']})"
1050
+ for d, v in c.items()) + f" -> LoRA verdicts {wins[mk]}/{ncoh[mk]}", scs)
1051
+ for mk in ("coverage", "precision", "comp_l1", "coverage_dm", "precision_dm"):
1052
+ c = cmp_bz[mk]
1053
+ num("b", f"LoRA-5 vs zero-shot (real bulk) {mk} (same-draw means; LoRA-better draws/n; verdict): " +
1054
+ "; ".join(f"{NAME[d]} {v['lora']:.3f} vs {v['other']:.3f} ({v['n_lora']}/{v['n']}, {v['verdict']})"
1055
+ for d, v in c.items()) + f" -> LoRA verdicts {wins_z[mk]}/{len(c)}",
1056
+ f"{SCORES}/<cohort>/fewshot_n5/draw<j>/summary.json (arms lora5, zs_raw)")
1057
+ num("b", "coverage cohort means over all draws: " + "; ".join(
1058
+ f"{lab} " + ", ".join(f"{NAME[d]} {v:.3f}" for d, v in zip(ORDER, cov_mean[a]))
1059
+ for a, lab in (("lora", "LoRA-5"), ("scsemi5", "scSemi-5"), ("zs_raw", "zero-shot"))), scs)
1060
+ num("b", "LoRA-5 minus zero-shot (real bulk) composition L1, per-donor Wilcoxon (draw-averaged): " +
1061
+ "; ".join(f"{NAME[d]} {v['mean_diff']:+.3f}, n={v['n_donors']}, p={v['p']:.2g}" for d, v in l1t.items()) +
1062
+ f" -> gain in {len(gain)}/{nb}",
1063
+ f"{SCORES}/<cohort>/fewshot_n5/draw<j>/per_donor.csv; {DATA}/<cohort>/folds.csv")
1064
+ num("b", "scSemiProfiler draws used / LoRA draws: " +
1065
+ ", ".join(f"{NAME[d]} {int((used.dataset == d).sum())}/{n_draws(few, d, 'lora')}" for d in ORDER),
1066
+ OUTDATA / "sec09_scsemi_status.csv")
1067
+ num("b", "training pairs per draw: " + ", ".join(f"{NAME[d]} {info[d]['train']}" for d in ORDER) +
1068
+ "; test pairs: " + ", ".join(f"{NAME[d]} {info[d]['test']}" for d in ORDER),
1069
+ f"{DATA}/<cohort>/fewshot_n5/DRAWS.json (n_train_rows, n_test_rows)")
1070
+ num("b", f"LoRA r = {lora_r}; {steps} fixed steps; base {CKPT}; sampling: {sampling}", base_src)
1071
+ num("b", f"P/C definition: {pc_def}; PCA components in every summary.json = 50", SCORE_FT)
1072
+ for ds in ORDER:
1073
+ extra("b", f"{ds} LoRA-5 minus zero-shot (real bulk) L1, Wilcoxon over donor-draw rows (pseudo-replicated; "
1074
+ f"not quoted, replaced by the per-donor test)",
1075
+ f"{l1t[ds]['row_mean_diff']:+.3f}, n={l1t[ds]['n_rows']}, p {l1t[ds]['row_p']:.2g}", l1t[ds]["source"])
1076
+ slides.append({"title": "5 donors: LoRA vs scSemiProfiler — cells", "layout": "full",
1077
+ "figures": [str(FIGDIR / "sec09_fewpair_cells.png")], "keywords": kw_b, "footnote": foot_b,
1078
+ "footnote_short": fs_b, "numbers": NUMS["b"]})
1079
+
1080
+ # ---------------- slide c ----------------
1081
+ cmp_r = same_draw_compare(few, status, DISEASE, "contrast_r")
1082
+ cmp_d = same_draw_compare(few, status, DISEASE, "deg", min_margin=1.0)
1083
+ cmp_rz = same_draw_compare(few, status, DISEASE, "contrast_r", other="zs_raw")
1084
+ cmp_dz = same_draw_compare(few, status, DISEASE, "deg", min_margin=1.0, other="zs_raw")
1085
+ deg_l = [d for d, v in cmp_d.items() if v["verdict"] == "lora"]
1086
+ deg_tie = [d for d, v in cmp_d.items() if v["verdict"] == "tie"]
1087
+ deg_other = [d for d, v in cmp_d.items() if v["verdict"] not in ("lora", "tie")]
1088
+ near0 = [d for d in deg_tie if max(cmp_d[d]["lora"], cmp_d[d]["other"]) < 1.0]
1089
+ kw_c1 = f"Top-50 DEG: LoRA-5 > scSemi-5 {len(deg_l)}/{len(cmp_d)}"
1090
+ kw_c1_short = kw_c1 + (f", tied {len(deg_tie)}" if deg_tie else "")
1091
+ if near0:
1092
+ kw_c1 += f"; {names(near0)} ~0"
1093
+ if [d for d in deg_tie if d not in near0]:
1094
+ kw_c1 += f"; {names([d for d in deg_tie if d not in near0])} tied"
1095
+ if deg_other:
1096
+ kw_c1 += f"; {names(deg_other)} not"
1097
+ kw_c1 = keyword_or_short(kw_c1, kw_c1_short)
1098
+ r_s = [d for d, v in cmp_r.items() if v["verdict"] == "other"]
1099
+ r_split = [d for d, v in cmp_r.items() if v["verdict"] in ("split", "tie")]
1100
+ r_l = [d for d, v in cmp_r.items() if v["verdict"] == "lora"]
1101
+ parts = []
1102
+ if r_s:
1103
+ parts.append(f"scSemi-5 wins {names(r_s)}")
1104
+ if r_split:
1105
+ parts.append(f"{names(r_split)} split")
1106
+ kw_c2_short = f"logFC r: LoRA-5 > scSemi-5 {len(r_l)}/{len(cmp_r)}"
1107
+ kw_c2 = keyword_or_short(("logFC r: " + "; ".join(parts)) if parts else kw_c2_short, kw_c2_short)
1108
+ arms3 = ("zs_raw", "scsemi5", "lora")
1109
+
1110
+ def arm_mean(ds, a, mk):
1111
+ v = [x for x in few_vals(few, ds, a, mk)[0] if not np.isnan(x)]
1112
+ return float(np.mean(v)) if v else np.nan
1113
+
1114
+ bc_all = [d for d in DISEASE
1115
+ if few_ref(few, d, "broadcast", "contrast_r")[0] > np.nanmax([arm_mean(d, a, "contrast_r") for a in arms3])
1116
+ and few_ref(few, d, "broadcast", "deg")[0] > np.nanmax([arm_mean(d, a, "deg") for a in arms3])]
1117
+ kw_c3 = (keyword_or_short(f"{names(bc_all)}: real-bulk broadcast beats all arms",
1118
+ f"Broadcast beats all arms: {len(bc_all)}/{len(DISEASE)}")
1119
+ if bc_all else "Every cohort: some arm beats broadcast")
1120
+ kw_c = check_keywords([kw_c1, kw_c2, kw_c3])
1121
+ dmax = {d: sorted({int(x) for x in few[(few.dataset == d) & (few.arm == "lora")]["deg_max"].dropna()}) for d in DISEASE}
1122
+ small = [d for d in DISEASE if subjects_text(info[d])]
1123
+
1124
+ def vz(c):
1125
+ return ", ".join(f"{NAME[d]} {v['verdict'].replace('other', 'zero-shot')} {v['n_lora']}/{v['n']}"
1126
+ for d, v in c.items())
1127
+
1128
+ foot_c = (f"Same draws and verdict rule as the previous slide; DEG tie = half the draws equal or mean gap < 1 gene. "
1129
+ f"logFC r = mean over T/B/Mono/NK of case-vs-control log2FC r (generated vs observed); top-50 DEG = "
1130
+ f"Welch+BH overlap summed over {n_types} types (max 250; "
1131
+ + ", ".join(f"{NAME[d]} {rng(dmax[d])}" for d in DISEASE if dmax[d] != [250]) + " per draw). "
1132
+ + "".join(f"{NAME[d]} test = {subjects_text(info[d])} subjects per draw. " for d in small)
1133
+ + f"LoRA-5 vs zero-shot (real bulk), LoRA-better draws: logFC r {vz(cmp_rz)}; DEG {vz(cmp_dz)}. "
1134
+ + "Broadcast = the input real bulk's own logFC. Scores: scores/<cohort>/fewshot_n5/draw<j>{,_scsemi5}/.")
1135
+ fs_c = check_foot_short(f"Same draws as previous slide. Top-50 DEG = Welch + BH overlap, summed over {n_types} "
1136
+ f"cell types.")
1137
+ srcc = f"{SCORES}/<cohort>/fewshot_n5/draw<j>{{,_scsemi5}}/summary.json and contrast.csv"
1138
+ num("c", "Top-50 DEG LoRA-5 vs scSemi-5 (shared-draw means; LoRA-better / tied draws; verdict): " +
1139
+ "; ".join(f"{NAME[d]} {v['lora']:.1f} vs {v['other']:.1f} ({v['n_lora']}/{v['n']}, {v['n_tie']} tied, {v['verdict']})"
1140
+ for d, v in cmp_d.items()), srcc)
1141
+ num("c", "logFC r LoRA-5 vs scSemi-5 (shared-draw means; LoRA-better draws; verdict): " +
1142
+ "; ".join(f"{NAME[d]} {v['lora']:.3f} vs {v['other']:.3f} ({v['n_lora']}/{v['n']}, {v['verdict']})"
1143
+ for d, v in cmp_r.items()), srcc)
1144
+ num("c", "Top-50 DEG LoRA-5 vs zero-shot (real bulk) (same-draw means; LoRA-better / tied draws; verdict): " +
1145
+ "; ".join(f"{NAME[d]} {v['lora']:.1f} vs {v['other']:.1f} ({v['n_lora']}/{v['n']}, {v['n_tie']} tied, {v['verdict']})"
1146
+ for d, v in cmp_dz.items()), f"{SCORES}/<cohort>/fewshot_n5/draw<j>/summary.json (arms lora5, zs_raw)")
1147
+ num("c", "logFC r LoRA-5 vs zero-shot (real bulk) (same-draw means; LoRA-better draws; verdict): " +
1148
+ "; ".join(f"{NAME[d]} {v['lora']:.3f} vs {v['other']:.3f} ({v['n_lora']}/{v['n']}, {v['verdict']})"
1149
+ for d, v in cmp_rz.items()), f"{SCORES}/<cohort>/fewshot_n5/draw<j>/contrast.csv (arms lora5, zs_raw)")
1150
+ for d in bc_all:
1151
+ num("c", f"{NAME[d]} broadcast logFC r {few_ref(few, d, 'broadcast', 'contrast_r')[0]:.3f} vs best arm "
1152
+ f"{max(arm_mean(d, a, 'contrast_r') for a in arms3):.3f}; broadcast DEG "
1153
+ f"{few_ref(few, d, 'broadcast', 'deg')[0]:.1f} vs best arm {max(arm_mean(d, a, 'deg') for a in arms3):.1f} "
1154
+ f"(means over all draws)", f"{SCORES}/{d}/fewshot_n5/draw<j>{{,_scsemi5}}/summary.json")
1155
+ num("c", "DEG maximum per draw: " + ", ".join(f"{NAME[d]} {rng(dmax[d])}" for d in DISEASE),
1156
+ f"{SCORES}/<cohort>/fewshot_n5/draw<j>/summary.json (deg_top50_max)")
1157
+ for d in small:
1158
+ num("c", f"{NAME[d]} test subjects per draw: {subjects_text(info[d])} ({CONTRAST[d]['case']} vs "
1159
+ f"{CONTRAST[d]['control']}); test pairs {info[d]['test']}",
1160
+ f"{info[d]['source']} (train_donors); {DATA / d / 'folds.csv'} (group)")
1161
+ slides.append({"title": "5 donors: LoRA vs scSemiProfiler — disease signal", "layout": "figure_keywords",
1162
+ "figures": [str(FIGDIR / "sec09_fewpair_disease.png")], "keywords": kw_c, "footnote": foot_c,
1163
+ "footnote_short": fs_c, "numbers": NUMS["c"]})
1164
+
1165
+ # ---------------- slide d ----------------
1166
+ L = {d: pooled[d][POOLED_ARMS["lora"]] for d in ORDER}
1167
+ Z = {d: pooled[d][POOLED_ARMS["zs_raw"]] for d in ORDER}
1168
+ S = {d: pooled[d][POOLED_ARMS["sconly"]] for d in ORDER}
1169
+ B = {d: [Z[d], S[d]] for d in ORDER}
1170
+ best = {mk: [d for d in (ORDER if mk == "coverage" else DISEASE) if L[d][mk] >= max(b[mk] for b in B[d])]
1171
+ for mk in ("coverage", "contrast_r", "deg")}
1172
+ kw_d1 = f"LoRA tops coverage {len(best['coverage'])}/{len(ORDER)}, logFC r {len(best['contrast_r'])}/{len(DISEASE)}"
1173
+ jb = baselines_text([b["coverage"] for b in B["ji2025_chili"]])
1174
+ jl = f"{L['ji2025_chili']['coverage']:.2f}"
1175
+ kw_d2 = keyword_or_short(f"Ji whole blood: baselines {jb}, LoRA {jl}", f"Ji whole blood: LoRA {jl}, others {jb}")
1176
+ bc_win = [d for d in DISEASE if L[d]["broadcast_r"] > L[d]["contrast_r"]]
1177
+ kw_d3 = ("; ".join(f"{NAME[d]}: broadcast r {L[d]['broadcast_r']:.2f} > LoRA {L[d]['contrast_r']:.2f}" for d in bc_win)
1178
+ if bc_win else "LoRA above broadcast in every cohort")
1179
+ kw_d3 = keyword_or_short(kw_d3, f"Broadcast r above LoRA: {names(bc_win)}")
1180
+ kw_d = check_keywords([kw_d1, kw_d2, kw_d3])
1181
+ foot_d = (f"Donor-level 5-fold CV; each pair scored once, by the fold model that never trained on its donor "
1182
+ f"(one pooled call per cohort). LoRA r={lora_r} on all training donors' real bulk, early stop on "
1183
+ f"inner-val donors. Zero-shot = base model without fine-tuning; sc-only = full fine-tune on training "
1184
+ f"donors' sc pseudobulk; both are fed the test pair's real bulk as measured. Base f01 6k·1x·E16. "
1185
+ f"Top-50 DEG: LoRA best {len(best['deg'])}/{len(DISEASE)}. Sepsis DEG from pooled_deg. "
1186
+ f"Scores: scores/<cohort>/pooled/summary.json.")
1187
+ fs_d = check_foot_short("Donor-level 5-fold CV; each pair scored by a model that never saw its donor. "
1188
+ "sc-only: tuned on sc pseudobulk.")
1189
+ psrc = f"{SCORES}/<cohort>/pooled/summary.json (Sepsis DEG: {SCORES}/ye2026_sepsis/pooled_deg/summary.json)"
1190
+ num("d", f"LoRA best of 3 arms: coverage {len(best['coverage'])}/{len(ORDER)}, logFC r "
1191
+ f"{len(best['contrast_r'])}/{len(DISEASE)}, top-50 DEG {len(best['deg'])}/{len(DISEASE)}", psrc)
1192
+ num("d", f"Ji coverage: zero-shot {Z['ji2025_chili']['coverage']:.3f}, sc-only "
1193
+ f"{S['ji2025_chili']['coverage']:.3f}, LoRA {L['ji2025_chili']['coverage']:.3f}",
1194
+ SCORES / "ji2025_chili" / "pooled" / "summary.json")
1195
+ for d in bc_win:
1196
+ num("d", f"{NAME[d]} logFC r: broadcast {L[d]['broadcast_r']:.3f} vs LoRA {L[d]['contrast_r']:.3f}; "
1197
+ f"DEG broadcast {L[d]['deg_broadcast']:.0f} vs LoRA {L[d]['deg']:.0f}", SCORES / d / "pooled" / "summary.json")
1198
+ num("d", "LoRA logFC r vs broadcast: " + ", ".join(f"{NAME[d]} {L[d]['contrast_r']:.3f} vs {L[d]['broadcast_r']:.3f}"
1199
+ for d in DISEASE), psrc)
1200
+ for mk, lab in (("coverage", "coverage"), ("contrast_r", "logFC r"), ("deg", "top-50 DEG")):
1201
+ dd = ORDER if mk == "coverage" else DISEASE
1202
+ f = "{:.3f}" if mk != "deg" else "{:.0f}"
1203
+ num("d", f"{lab} LoRA / zero-shot / sc-only: " +
1204
+ ", ".join(f"{NAME[d]} {f.format(L[d][mk])} / {f.format(Z[d][mk])} / {f.format(S[d][mk])}" for d in dd), psrc)
1205
+ num("d", "Pooled n (pairs / donors): " + ", ".join(f"{NAME[r.dataset]} {r.n_rows}/{r.n_donors}" for r in tab.itertuples()),
1206
+ f"{SCORES}/<cohort>/pooled/summary.json (n_donors); {DATA}/<cohort>/fewshot_n5/DRAWS.json")
1207
+ num("d", f"early stopping: {early}", README)
1208
+ for d in ORDER:
1209
+ for a, f in POOLED_ARMS.items():
1210
+ extra("d", f"{d} pooled {a} ({f}) coverage / precision / L1 / r / DEG",
1211
+ f"{pooled[d][f]['coverage']:.3f} / {pooled[d][f]['precision']:.3f} / {pooled[d][f]['comp_l1']:.3f} / "
1212
+ f"{pooled[d][f]['contrast_r']:.3f} / {pooled[d][f]['deg']:.0f}",
1213
+ pooled[d][f]["source"] + (f"; DEG: {pooled[d][f]['deg_source']}" if "deg_source" in pooled[d][f] else ""))
1214
+ slides.append({"title": "All pairs, 5-fold", "layout": "full", "figures": [str(FIGDIR / "sec09_fivefold.png")],
1215
+ "keywords": kw_d, "footnote": foot_d, "footnote_short": fs_d, "numbers": NUMS["d"]})
1216
+
1217
+ for s in slides:
1218
+ for k in ("title", "footnote"):
1219
+ check_text(s[k], k)
1220
+ for n in s["numbers"]:
1221
+ check_text(n["value"], "quoted number")
1222
+ spec = {"section": "09", "slides": slides, "scripts": [str(SCRIPT)],
1223
+ "generated_from": "tools/sec09_paired_validation.py (rerun to refresh; do not edit by hand)",
1224
+ "scsemi_draws_used": f"{ns_used}/{ns_all}"}
1225
+ (OUTDATA / "sec09_slide_text.json").write_text(json.dumps(spec, indent=1, ensure_ascii=False))
1226
+ flat = [{"slide": k, "item": "quoted on slide", "value": n["value"], "source": n["source"]}
1227
+ for k in "abcd" for n in NUMS[k]] + EXTRA
1228
+ pd.DataFrame(flat).to_csv(OUTDATA / "sec09_quoted_numbers.csv", index=False)
1229
+ # nothing written by this script may carry the input-adjustment wording
1230
+ for p in [OUTDATA / "sec09_slide_text.json"] + sorted(OUTDATA.glob("sec09_*.csv")):
1231
+ m = OFF_STORY.search(p.read_text(encoding="utf-8"))
1232
+ if m:
1233
+ raise ValueError(f"{p}: off-story text {m.group(0)!r}")
1234
+
1235
+ print("scSemiProfiler draws used per dataset:",
1236
+ {NAME[d]: f"{int((used.dataset == d).sum())}/{n_draws(few, d, 'lora')}" for d in ORDER})
1237
+ for s in slides:
1238
+ print(f"\n== {s['title']} [{s['layout']}]")
1239
+ for k in s["keywords"]:
1240
+ print(" *", k, f"({n_words(k)} words, {len(k)} chars)")
1241
+ print(" footnote_short:", s["footnote_short"], f"({len(s['footnote_short'])} chars)")
1242
+ print(" footnote:", s["footnote"])
1243
+ for n in s["numbers"]:
1244
+ print(" #", n["value"])
1245
+ for p in sorted(FIGDIR.glob("sec09_*.png")):
1246
+ print("wrote", p)
1247
+ return 0
1248
+
1249
+
1250
+ if __name__ == "__main__":
1251
+ sys.exit(main())
paper-releases/pbisc-diffusion/updates/20260930T090852Z-summary-deck-final-path-story/diffusion/dataset/server_1/model8/presentations/2026-09-30--paper-summary--r00/tools/style.py ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Shared matplotlib style for every figure of the 2026-09-30 paper-summary deck.
2
+
3
+ Figures are drawn at their on-slide size (inches), so font sizes are the sizes seen on the slide.
4
+ Slide: 13.333 x 7.5 in (16:9). Content area below the title: about 12.3 x 5.7 in.
5
+ Use FULL, HALF or TALL for figsize unless a figure needs something else.
6
+ Plain look: white background, no top/right spines, no titles inside figures (the slide title says it),
7
+ no shadows, no gradients, no decorative elements. Colour carries meaning only.
8
+ """
9
+ import matplotlib
10
+ matplotlib.use("Agg")
11
+ import matplotlib.pyplot as plt
12
+
13
+ FULL = (12.3, 5.6) # figure fills the content area
14
+ HALF = (6.0, 5.4) # one of two side-by-side figures
15
+ TALL = (7.8, 5.6) # figure + a keyword column on the right
16
+ DPI = 200
17
+
18
+ FS = 14 # base font size on the slide (pt)
19
+ plt.rcParams.update({
20
+ "font.family": "sans-serif",
21
+ "font.sans-serif": ["Arial", "Liberation Sans", "DejaVu Sans"],
22
+ "font.size": FS, "axes.titlesize": FS, "axes.labelsize": FS,
23
+ "xtick.labelsize": FS - 2, "ytick.labelsize": FS - 2, "legend.fontsize": FS - 2,
24
+ "axes.spines.top": False, "axes.spines.right": False,
25
+ "axes.linewidth": 1.0, "xtick.major.width": 1.0, "ytick.major.width": 1.0,
26
+ "legend.frameon": False, "figure.facecolor": "white", "axes.facecolor": "white",
27
+ "savefig.facecolor": "white", "savefig.bbox": "tight", "savefig.pad_inches": 0.05,
28
+ "pdf.fonttype": 42, "ps.fonttype": 42,
29
+ })
30
+
31
+ # One colour per method, identical across every figure (Okabe-Ito, same as the paper's paired figures)
32
+ ARM = {
33
+ "pbisc": "#D55E00", # PBISC (final model, or LoRA fine-tune)
34
+ "lora": "#D55E00",
35
+ "full_ft": "#E07B39",
36
+ "zs_cal": "#0072B2", # zero-shot, paired calibration
37
+ "zs_raw": "#A6CBE3", # zero-shot, raw bulk (old pale shade; kept for the archived scripts)
38
+ "zs": "#0072B2", # zero-shot, real bulk as measured: the no-fine-tune baseline (story without calibration)
39
+ "pseudo": "#1A1A1A", # zero-shot from sc pseudobulk (reference line)
40
+ "scsemi": "#E69F00", # scSemiProfiler
41
+ "vae": "#56B4E9", # PBISC-VAE
42
+ "sconly": "#CC79A7", # sc-only fine-tune
43
+ "broadcast": "#9A9A9A", # real-bulk broadcast baseline
44
+ "other": "#009E73",
45
+ "refcal": "#D55E00", # zero-shot + reference calibration (PBISC's no-pair real-bulk path; = sec04 PBISC colour)
46
+ "tpm": "#DDCC77", # zero-shot, TPM (length-corrected) bulk input (sec05; not used by any other key)
47
+ }
48
+ # Architecture variants (section 3 only). trunk4x / prop avoid the PBISC-VAE (#56B4E9) and
49
+ # scSemiProfiler (#E69F00) reference-line colours drawn on the same slide.
50
+ VARIANT = {"1x": "#D55E00", "4x": "#0072B2", "trunk4x": "#332288", "ctx4x": "#009E73", "16x": "#CC79A7", "prop": "#999933"}
51
+ # Gene panels (section 3 only); 3k avoids the PBISC-VAE line colour
52
+ PANEL = {"2k": "#A6CBE3", "3k": "#882255", "6k": "#D55E00", "15k": "#0072B2"}
53
+ GREY = "#8C8C8C"
54
+ INK = "#1A1A1A"
55
+ SUBINK = "#4D4D4D" # secondary text (sub-lines under bars)
56
+ PBISC_PALE = "#F3C9A8" # light PBISC orange: planned / not yet generated (outlined in ARM["pbisc"])
57
+
58
+
59
+ def save(fig, name, figdir):
60
+ """Save PNG (slide) and PDF (vector) with the same stem."""
61
+ from pathlib import Path
62
+ figdir = Path(figdir)
63
+ fig.savefig(figdir / f"{name}.png", dpi=DPI)
64
+ fig.savefig(figdir / f"{name}.pdf")
65
+ plt.close(fig)