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paper-releases/pbisc-diffusion/updates/20261006T133650Z-fig1-nature-style-candidate/diffusion/dataset/server_1/manuscript/scripts/build_figure1_architecture_nature.py ADDED
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1
+ #!/usr/bin/env python3
2
+ """Nature-style Figure 1 overview (a-c), 2026-10-06; plan in editorial/fig1_nature_redesign_plan_20261006.md.
3
+
4
+ Writes the editable master figures/fig01_architecture_nature.svg and renders .pdf/.png with cairosvg.
5
+ Schematic only: tiles, clouds and mini-plots are drawn from a fixed seed and show no data. The corpus numbers in
6
+ panel a are read from source_data/corpus/corpus_summary.json. Canvas 180 mm wide, 8 SVG units per mm, Arial.
7
+ """
8
+ from __future__ import annotations
9
+
10
+ import hashlib
11
+ import json
12
+ from pathlib import Path
13
+
14
+ import cairosvg
15
+ import numpy as np
16
+
17
+ ROOT = Path(__file__).resolve().parents[1]
18
+ OUT = ROOT / "figures" / "fig01_architecture_nature.svg"
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+ U = 8.0 # SVG units per mm
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+ PT = 25.4 / 72 * U # SVG units per typographic point
21
+ W, H = 1440, 760
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+ FONT = "Arial, Helvetica, sans-serif"
23
+ INK, SUB, LINE = "#222222", "#5A5A5A", "#8C8C8C"
24
+ GOLD, GOLD_L = "#B8862B", "#E9D3A6" # bulk / condition
25
+ BLUE, BLUE_L = "#3F6E9E", "#C9D8E8" # expression value
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+ TEAL = "#2E8B7A" # detection
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+ SLATE, SLATE_L = "#5B6E8F", "#E6EAF1" # model
28
+ PURPLE = "#8E6C9E" # adaptation
29
+ GREY, GREY_L = "#9A9A9A", "#E4E4E4" # noise, unmeasured
30
+ CT = {"T cell": "#4C6E91", "Monocyte": "#5E8C6A", "B cell": "#C98A4B", "NK cell": "#8FB0CF"}
31
+ rng = np.random.default_rng(20261006)
32
+ parts: list[str] = []
33
+
34
+
35
+ def t(x, y, s, size=6.5, weight="normal", color=INK, anchor="start", style="normal", extra=""):
36
+ parts.append(f'<text x="{x:.1f}" y="{y:.1f}" font-family="{FONT}" font-size="{size * PT:.1f}" '
37
+ f'font-weight="{weight}" font-style="{style}" fill="{color}" text-anchor="{anchor}" {extra}>{s}</text>')
38
+
39
+
40
+ def rect(x, y, w, h, fill="none", stroke="none", sw=1.0, rx=0, dash=None, op=1.0):
41
+ d = f' stroke-dasharray="{dash}"' if dash else ""
42
+ parts.append(f'<rect x="{x:.1f}" y="{y:.1f}" width="{w:.1f}" height="{h:.1f}" rx="{rx}" fill="{fill}" '
43
+ f'stroke="{stroke}" stroke-width="{sw}"{d} opacity="{op}"/>')
44
+
45
+
46
+ def line(x1, y1, x2, y2, color=LINE, sw=1.4, arrow=None, dash=None):
47
+ m = f' marker-end="url(#{arrow})"' if arrow else ""
48
+ d = f' stroke-dasharray="{dash}"' if dash else ""
49
+ parts.append(f'<line x1="{x1:.1f}" y1="{y1:.1f}" x2="{x2:.1f}" y2="{y2:.1f}" stroke="{color}" '
50
+ f'stroke-width="{sw}"{d}{m}/>')
51
+
52
+
53
+ def path(d, color=LINE, sw=1.4, arrow=None, dash=None, fill="none"):
54
+ m = f' marker-end="url(#{arrow})"' if arrow else ""
55
+ ds = f' stroke-dasharray="{dash}"' if dash else ""
56
+ parts.append(f'<path d="{d}" fill="{fill}" stroke="{color}" stroke-width="{sw}"{ds}{m}/>')
57
+
58
+
59
+ def circle(x, y, r, fill, stroke="none", sw=1.0):
60
+ parts.append(f'<circle cx="{x:.1f}" cy="{y:.1f}" r="{r:.1f}" fill="{fill}" stroke="{stroke}" stroke-width="{sw}"/>')
61
+
62
+
63
+ from PIL import ImageFont # noqa: E402
64
+
65
+ ARIAL = "/usr/share/fonts/truetype/msttcorefonts/Arial.ttf"
66
+
67
+
68
+ def text_w(s, size):
69
+ return ImageFont.truetype(ARIAL, max(1, round(size * PT * 4))).getlength(s) / 4
70
+
71
+
72
+ def ts(x, y, base, idx, size=6.5, anchor="start", color=INK, weight="normal"):
73
+ """text with a subscript placed from measured Arial widths (cairosvg misplaces tspans)"""
74
+ wb, wi = text_w(base, size), text_w(idx, size * 0.72)
75
+ x0 = x - (wb + wi) / 2 if anchor == "middle" else (x - wb - wi if anchor == "end" else x)
76
+ t(x0, y, base, size=size, color=color, weight=weight)
77
+ t(x0 + wb + 0.5, y + size * PT * 0.22, idx, size=size * 0.72, color=color, weight=weight)
78
+
79
+
80
+ def letter(x, y, s):
81
+ t(x, y, s, size=9, weight="bold")
82
+
83
+
84
+ def header(x, y, s):
85
+ t(x, y, s, size=7.5, weight="bold")
86
+
87
+
88
+ def shade(base, v):
89
+ """mix white -> base by v in [0, 1]"""
90
+ b = [int(base[i:i + 2], 16) for i in (1, 3, 5)]
91
+ c = [round(255 + (bb - 255) * v) for bb in b]
92
+ return "#" + "".join(f"{x:02X}" for x in c)
93
+
94
+
95
+ def hatch_rect(x, y, w, h):
96
+ rect(x, y, w, h, fill="url(#hatch)", stroke=GREY, sw=0.6)
97
+
98
+
99
+ def cell_profile(x, y, vals, det, unmeasured, gw=12, bh=34, noise=0.0, tag=None):
100
+ """one cell over genes: value bars (blue) above detection dots (teal); unmeasured genes hatched"""
101
+ n = len(vals)
102
+ rect(x - 4, y - 4, n * gw + 8, bh + 26, fill="white", stroke="#C8C8C8", sw=0.8, rx=4)
103
+ for g in range(n):
104
+ gx = x + g * gw
105
+ if g in unmeasured:
106
+ hatch_rect(gx + 1, y, gw - 2, bh + 18)
107
+ continue
108
+ v = vals[g]
109
+ col = BLUE if noise < 0.5 else GREY
110
+ if noise > 0:
111
+ col = shade(GREY, 0.9) if noise >= 0.99 else (BLUE if noise < 0.4 else "#7F94AB")
112
+ if v > 0:
113
+ rect(gx + 2, y + bh - v * bh, gw - 4, v * bh, fill=col)
114
+ dcol = TEAL if noise < 0.99 else GREY
115
+ circle(gx + gw / 2, y + bh + 9, 3.6, dcol if det[g] else "white", stroke=dcol, sw=1.0)
116
+ if tag:
117
+ t(x + n * gw / 2, y - 10, tag, size=6.5, anchor="middle", color=INK)
118
+
119
+
120
+ def arrow_defs():
121
+ parts.append('<defs>')
122
+ for name, col in (("a-ink", INK), ("a-grey", LINE), ("a-gold", GOLD), ("a-slate", SLATE), ("a-purple", PURPLE),
123
+ ("a-teal", TEAL)):
124
+ parts.append(f'<marker id="{name}" viewBox="0 0 10 10" refX="8.5" refY="5" markerWidth="6.5" markerHeight="6.5" '
125
+ f'orient="auto-start-reverse"><path d="M0,0 L10,5 L0,10 z" fill="{col}"/></marker>')
126
+ parts.append('<pattern id="hatch" width="5" height="5" patternUnits="userSpaceOnUse" patternTransform="rotate(45)">'
127
+ f'<rect width="5" height="5" fill="{GREY_L}"/><line x1="0" y1="0" x2="0" y2="5" stroke="#B5B5B5" '
128
+ 'stroke-width="1.6"/></pattern>')
129
+ parts.append('</defs>')
130
+
131
+
132
+ def panel_a(summ):
133
+ letter(6, 24, "a")
134
+ header(32, 24, "Pretraining on pseudobulk")
135
+ # corpus cloud
136
+ cx, cy = 92, 150
137
+ cols = list(CT.values())
138
+ pts = rng.normal(size=(70, 2))
139
+ pts = pts / np.maximum(1, np.hypot(*pts.T) / 1.9)[:, None] * [26, 21] # keep inside the cloud
140
+ for i, (dx, dy) in enumerate(pts):
141
+ circle(cx + dx, cy + dy, 4.0, cols[i % 4])
142
+ t(cx, 76, "Blood scRNA-seq", size=6.5, anchor="middle")
143
+ t(cx, 222, f"{summ['cells'] / 1e6:.1f} M cells", size=7, weight="bold", anchor="middle")
144
+ t(cx, 240, f"{summ['datasets']} datasets", size=6.2, anchor="middle", color=SUB)
145
+ t(cx, 257, f"{summ['donors']:,} donors", size=6.2, anchor="middle", color=SUB)
146
+ # one sample: K cells x genes
147
+ x0, y0, cw, ch, nr, nc = 238, 98, 14, 12.5, 8, 10
148
+ unmeas = {3, 7}
149
+ line(160, 150, x0 - 10, 150, arrow="a-grey")
150
+ t((160 + x0 - 10) / 2, 140, "one sample", size=6, anchor="middle", color=SUB)
151
+ t(x0 + nc * cw / 2, 86, "K cells × genes", size=6.5, anchor="middle")
152
+ vals = rng.gamma(0.7, 0.5, size=(nr, nc)) * (rng.random((nr, nc)) > 0.45)
153
+ for r in range(nr):
154
+ for c in range(nc):
155
+ if c in unmeas:
156
+ hatch_rect(x0 + c * cw, y0 + r * ch, cw - 1.5, ch - 1.5)
157
+ else:
158
+ v = min(vals[r, c], 1.2) / 1.2
159
+ rect(x0 + c * cw, y0 + r * ch, cw - 1.5, ch - 1.5, fill=shade(BLUE, 0.08 + 0.85 * v))
160
+ hr = 4
161
+ rect(x0 - 2.5, y0 + hr * ch - 2.5, nc * cw + 2, ch + 2, stroke=INK, sw=1.6)
162
+ # sum -> bulk row, mask row
163
+ by = y0 + nr * ch + 24
164
+ path(f"M{x0 + nc * cw + 4},{y0 + nr * ch - 6} C{x0 + nc * cw + 22},{y0 + nr * ch + 4} "
165
+ f"{x0 + nc * cw + 22},{by - 2} {x0 + nc * cw + 6},{by + 5}", color=GOLD, sw=1.3, arrow="a-gold")
166
+ t(x0 + nc * cw + 26, y0 + nr * ch + 16, "Σ", size=8, color=GOLD, weight="bold")
167
+ bulk = vals.sum(0)
168
+ for c in range(nc):
169
+ if c in unmeas:
170
+ hatch_rect(x0 + c * cw, by, cw - 1.5, ch - 1.5)
171
+ else:
172
+ rect(x0 + c * cw, by, cw - 1.5, ch - 1.5, fill=shade(GOLD, 0.15 + 0.85 * bulk[c] / bulk.max()))
173
+ t(x0 - 8, by + 9, "bulk", size=6.5, color=GOLD, weight="bold", anchor="end")
174
+ my = by + ch + 5
175
+ for c in range(nc):
176
+ rect(x0 + c * cw, my, cw - 1.5, 5, fill=GREY_L if c in unmeas else "#6E6E6E")
177
+ t(x0 - 8, my + 6, "measured", size=6, color=SUB, anchor="end")
178
+ t(x0 + nc * cw / 2, my + 26, "K = 250–4,000 cells", size=6, anchor="middle", color=SUB)
179
+ # training pair: highlighted cell + its bulk -> model
180
+ px = x0 + nc * cw + 58
181
+ rect(px, 104, 98, 120, fill="#FAFAFA", stroke="#C8C8C8", sw=0.8, rx=6)
182
+ t(px + 49, 96, "training pair", size=6.3, anchor="middle")
183
+ t(px + 8, 124, "one cell", size=6, color=SUB)
184
+ for c in range(nc):
185
+ col = GREY_L if c in unmeas else shade(BLUE, 0.08 + 0.85 * min(vals[hr, c], 1.2) / 1.2)
186
+ rect(px + 8 + c * 8.2, 132, 7, 12, fill=col)
187
+ t(px + 49, 166, "+", size=8, anchor="middle", color=SUB)
188
+ t(px + 8, 186, "its own bulk", size=6, color=SUB)
189
+ for c in range(nc):
190
+ col = GREY_L if c in unmeas else shade(GOLD, 0.15 + 0.85 * bulk[c] / bulk.max())
191
+ rect(px + 8 + c * 8.2, 194, 7, 12, fill=col)
192
+ line(x0 + nc * cw + 2, y0 + hr * ch + ch / 2, px - 4, 138, color=INK, sw=1.1, arrow="a-ink")
193
+ t(20, 300, "Each cell is learned with the bulk of its own sample.", size=6.2, color=SUB)
194
+ t(20, 318, "The model never sees cell-type or disease labels.", size=6.2, color=SUB)
195
+ line(px + 100, 164, 548, 164, color=INK, sw=1.5, arrow="a-ink")
196
+
197
+
198
+ def panel_b():
199
+ bx = 562
200
+ letter(bx, 24, "b")
201
+ header(bx + 26, 24, "Diffusion on each gene’s value and detection")
202
+ n, gw = 10, 13
203
+ unmeas = {3, 7}
204
+ v0 = np.clip(rng.gamma(1.0, 0.35, n), 0, 1) * (rng.random(n) > 0.3)
205
+ d0 = v0 > 0
206
+ xs = [bx + 34, bx + 244, bx + 454]
207
+ gwid = n * gw
208
+ labs = [("clean cell x", "0"), ("noisy cell x", "t"), ("noise x", "T")]
209
+ for i, x in enumerate(xs):
210
+ frac = (0.0, 0.5, 1.0)[i]
211
+ if i == 0:
212
+ vals, det = v0, d0
213
+ else:
214
+ vals = np.clip((1 - frac) * v0 + frac * rng.random(n) * 0.9, 0.05, 1)
215
+ det = rng.random(n) > 0.5 if frac >= 0.99 else d0 | (rng.random(n) > 0.7)
216
+ cell_profile(x, 104, vals, det, unmeas, gw=gw, noise=frac)
217
+ ts(x + gwid / 2, 90, *labs[i], size=6.5, anchor="middle")
218
+ line(xs[0], 64, xs[2] + gwid, 64, color=GREY, sw=1.3, arrow="a-grey")
219
+ t((xs[0] + xs[2] + gwid) / 2, 56, "add noise (training)", size=6, anchor="middle", color=GREY)
220
+ line(xs[2] + gwid, 178, xs[0], 178, color=SLATE, sw=1.6, arrow="a-slate")
221
+ t((xs[0] + xs[2] + gwid) / 2, 194, "remove noise step by step (generation)", size=6, anchor="middle", color=SLATE)
222
+ # glyph legend
223
+ lx = bx + 646
224
+ rect(lx, 98, 10, 14, fill=BLUE)
225
+ t(lx + 16, 110, "expression value", size=6)
226
+ circle(lx + 5, 126, 3.6, TEAL, stroke=TEAL)
227
+ t(lx + 16, 130, "detected", size=6)
228
+ circle(lx + 5, 142, 3.6, "white", stroke=TEAL)
229
+ t(lx + 16, 146, "not detected (zero)", size=6)
230
+ hatch_rect(lx, 154, 10, 12)
231
+ t(lx + 16, 164, "gene not measured", size=6)
232
+ # inputs
233
+ iy, ix, iw, ih = 236, bx + 4, 148, 22
234
+ inputs = [(("noisy cell x", "t"), GREY, None), ("previous estimate", SLATE, "4,3"), ("time step t", GREY, None)]
235
+ dx0, dy0, dwid, dh = bx + 178, 226, 284, 92
236
+ for k, (lab, col, dash) in enumerate(inputs):
237
+ yy = iy + k * 28
238
+ rect(ix, yy, iw, ih, fill="white", stroke=col, sw=1.0, rx=5, dash=dash)
239
+ if isinstance(lab, tuple):
240
+ ts(ix + iw / 2, yy + 15, *lab, size=6, anchor="middle")
241
+ else:
242
+ t(ix + iw / 2, yy + 15, lab, size=6, anchor="middle")
243
+ line(ix + iw, yy + ih / 2, dx0 - 4, dy0 + 26 + k * 20, color=col, sw=1.1, arrow="a-grey")
244
+ # denoiser
245
+ rect(dx0, dy0, dwid, dh, fill=SLATE_L, stroke=SLATE, sw=1.2, rx=10)
246
+ t(dx0 + dwid / 2, dy0 - 8, "Denoiser", size=7, anchor="middle", weight="bold", color=SLATE)
247
+ nb, bw = 7, 20
248
+ gap = (dwid - 60 - nb * bw) / (nb - 1)
249
+ bxs = [dx0 + 30 + k * (bw + gap) for k in range(nb)]
250
+ for k, xx in enumerate(bxs):
251
+ rect(xx, dy0 + 30, bw, 50, fill=shade(SLATE, 0.55), rx=3)
252
+ for a, b in ((0, 6), (1, 5), (2, 4)):
253
+ xa, xb = bxs[a] + bw / 2, bxs[b] + bw / 2
254
+ lift = 8 + 5 * (3 - (b - a) // 2)
255
+ path(f"M{xa},{dy0 + 30} C{xa},{dy0 + 30 - lift - 8} {xb},{dy0 + 30 - lift - 8} {xb},{dy0 + 30}",
256
+ color=SLATE, sw=1.0)
257
+ # bulk condition into every block
258
+ cyb = dy0 + dh + 30
259
+ rect(ix, cyb - 13, iw, 26, fill="white", stroke=GOLD, sw=1.3, rx=5)
260
+ t(ix + iw / 2, cyb + 4, "bulk condition", size=6.3, anchor="middle", color=GOLD, weight="bold")
261
+ line(ix + iw, cyb, bxs[-1] + bw / 2, cyb, color=GOLD, sw=1.6)
262
+ for xx in bxs:
263
+ line(xx + bw / 2, cyb, xx + bw / 2, dy0 + dh - 8, color=GOLD, sw=1.0, arrow="a-gold")
264
+ t(ix, cyb + 30, "bulk expression, depth and measured genes: fixed per sample, enters every block",
265
+ size=5.9, color=SUB)
266
+ # two heads
267
+ hx = dx0 + dwid + 40
268
+ vals = np.clip(v0 + 0.15, 0, 1)
269
+ probs = np.clip(np.where(d0, 0.75, 0.2) + rng.normal(0, 0.1, n), 0.05, 0.95)
270
+ line(dx0 + dwid, dy0 + 40, hx - 6, dy0 + 22, color=SLATE, sw=1.3, arrow="a-slate")
271
+ line(dx0 + dwid, dy0 + 56, hx - 6, dy0 + 82, color=SLATE, sw=1.3, arrow="a-slate")
272
+ for g in range(n):
273
+ gx = hx + g * 11
274
+ if g in unmeas:
275
+ hatch_rect(gx + 1, dy0 + 2, 9, 40)
276
+ hatch_rect(gx + 1, dy0 + 64, 9, 40)
277
+ continue
278
+ rect(gx + 1, dy0 + 42 - vals[g] * 40, 9, vals[g] * 40, fill=BLUE)
279
+ rect(gx + 1, dy0 + 104 - probs[g] * 40, 9, probs[g] * 40, fill=TEAL)
280
+ t(hx + 55, dy0 - 8, "value", size=6.3, anchor="middle", color=BLUE)
281
+ t(hx + 55, dy0 + 122, "detection probability", size=6.3, anchor="middle", color=TEAL)
282
+ # read-out
283
+ ox = hx + 150
284
+ drawn = rng.random(n) < probs
285
+ out = np.where(drawn, vals, 0)
286
+ path(f"M{hx + 112},{dy0 + 84} C{ox - 14},{dy0 + 84} {ox - 14},{dy0 + 62} {ox - 2},{dy0 + 62}",
287
+ color=TEAL, sw=1.3, arrow="a-teal")
288
+ path(f"M{hx + 112},{dy0 + 22} C{ox - 14},{dy0 + 22} {ox - 14},{dy0 + 44} {ox - 2},{dy0 + 44}",
289
+ color=BLUE, sw=1.3, arrow="a-ink")
290
+ t(ox + 55, dy0 - 8, "generated cell", size=6.3, anchor="middle", weight="bold")
291
+ for g in range(n):
292
+ gx = ox + g * 11
293
+ if g in unmeas:
294
+ hatch_rect(gx + 1, dy0 + 32, 9, 40)
295
+ continue
296
+ if out[g] > 0:
297
+ rect(gx + 1, dy0 + 72 - out[g] * 40, 9, out[g] * 40, fill=BLUE)
298
+ else:
299
+ t(gx + 5.5, dy0 + 70, "0", size=5.2, anchor="middle", color=SUB)
300
+ t(ox, dy0 + 94, "detection drawn from", size=5.9, color=SUB)
301
+ t(ox, dy0 + 109, "its probability; exact", size=5.9, color=SUB)
302
+ t(ox, dy0 + 124, "zeros elsewhere", size=5.9, color=SUB)
303
+
304
+
305
+ def panel_c(top):
306
+ letter(6, top + 24, "c")
307
+ header(32, top + 24, "From a measured bulk to single cells")
308
+ y = top + 44
309
+ # blood tube and bulk profile
310
+ tx, ty = 58, y + 52
311
+ rect(tx, ty, 22, 70, fill="white", stroke=INK, sw=1.2, rx=9)
312
+ rect(tx + 1.5, ty + 30, 19, 38, fill="#B5544F", rx=8)
313
+ rect(tx - 3, ty - 6, 28, 10, fill="#6E6E6E", rx=2)
314
+ t(tx + 11, ty + 92, "blood sample,", size=6, anchor="middle", color=SUB)
315
+ t(tx + 11, ty + 107, "bulk RNA-seq", size=6, anchor="middle", color=SUB)
316
+ bx0, by0, nc, cw = 112, y + 84, 10, 11
317
+ unmeas = {2, 8}
318
+ line(tx + 26, ty + 40, bx0 - 6, by0 + 6, color=GREY, sw=1.2, arrow="a-grey")
319
+ bulk = rng.gamma(1.2, 1.0, nc)
320
+ for c in range(nc):
321
+ if c in unmeas:
322
+ hatch_rect(bx0 + c * cw, by0, cw - 1.5, 12)
323
+ else:
324
+ rect(bx0 + c * cw, by0, cw - 1.5, 12, fill=shade(GOLD, 0.2 + 0.8 * bulk[c] / bulk.max()))
325
+ rect(bx0 + c * cw, by0 + 17, cw - 1.5, 5, fill=GREY_L if c in unmeas else "#6E6E6E")
326
+ t(bx0 + nc * cw / 2, by0 - 10, "bulk profile", size=6.3, anchor="middle", color=GOLD, weight="bold")
327
+ # optional adaptation
328
+ ax0, ay0, aw, ah = 262, y + 6, 196, 84
329
+ rect(ax0, ay0, aw, ah, fill="white", stroke=PURPLE, sw=1.2, rx=8, dash="5,4")
330
+ t(ax0 + aw / 2, ay0 + 19, "Optional: adapt", size=6.3, anchor="middle", color=PURPLE, weight="bold")
331
+ t(ax0 + aw / 2, ay0 + 37, "a few paired bulk +", size=6, anchor="middle")
332
+ t(ax0 + aw / 2, ay0 + 52, "single-cell samples", size=6, anchor="middle")
333
+ t(ax0 + aw / 2, ay0 + 70, "low-rank update, minutes", size=6, anchor="middle", color=SUB)
334
+ # model with K noise draws
335
+ mx0, my0, mw, mh = 470, y + 110, 160, 74
336
+ rect(mx0, my0, mw, mh, fill=SLATE_L, stroke=SLATE, sw=1.2, rx=10)
337
+ for k in range(5):
338
+ rect(mx0 + 28 + k * 22, my0 + 32, 14, 32, fill=shade(SLATE, 0.55), rx=2)
339
+ t(mx0 + mw / 2, my0 + 20, "pretrained model", size=6.5, anchor="middle", color=SLATE, weight="bold")
340
+ nx = mx0 + 16
341
+ for k in range(3):
342
+ for g in range(8):
343
+ v = rng.random()
344
+ rect(nx + k * 44 + g * 4.4, y + 44 + (1 - v) * 18, 3.4, v * 18, fill=GREY)
345
+ t(nx + 134, y + 58, "…", size=7, color=SUB)
346
+ t(mx0 + mw / 2, y + 30, "K noise draws", size=6.3, anchor="middle", color=SUB)
347
+ line(mx0 + mw / 2, y + 68, mx0 + mw / 2, my0 - 4, color=GREY, sw=1.2, arrow="a-grey")
348
+ path(f"M{ax0 + aw / 2},{ay0 + ah + 2} C{ax0 + aw / 2},{my0 + 20} {mx0 - 40},{my0 + 22} {mx0 - 4},{my0 + 22}",
349
+ color=PURPLE, sw=1.2, dash="5,4", arrow="a-purple")
350
+ line(bx0 + nc * cw + 4, by0 + 8, mx0 - 4, my0 + 54, color=GOLD, sw=1.6, arrow="a-gold")
351
+ t(300, my0 + 84, "one shared condition", size=6, anchor="middle", color=GOLD)
352
+ # generated cells
353
+ gx0, gy0 = 776, my0 + 34
354
+ line(mx0 + mw + 4, my0 + mh / 2, gx0 - 84, gy0, color=SLATE, sw=1.6, arrow="a-slate")
355
+ centers = {"T": ("T cell", -28, -22, 26), "Mono": ("Monocyte", 44, 14, 16), "B": ("B cell", -6, 40, 9),
356
+ "NK": ("NK cell", -58, 18, 9)}
357
+ for short, (lab, ox, oy, n) in centers.items():
358
+ pts = rng.normal(size=(n, 2)) * [12, 9]
359
+ for dx, dy in pts:
360
+ circle(gx0 + ox + dx, gy0 + oy + dy, 3.5, CT[lab])
361
+ for short, (lx, ly) in {"T": (-28, -48), "Mono": (44, -10), "B": (24, 58), "NK": (-80, 46)}.items():
362
+ t(gx0 + lx, gy0 + ly, short, size=6, anchor="middle", color=SUB)
363
+ t(gx0, y + 30, "K generated cells", size=6.5, anchor="middle", weight="bold")
364
+ t(gx0, y + 46, "labelled after generation", size=6, anchor="middle", color=SUB)
365
+ fy = my0 + mh + 64
366
+ path(f"M{gx0},{gy0 + 62} C{gx0},{fy} {gx0 - 80},{fy} {gx0 - 200},{fy} L{bx0 + 120},{fy} "
367
+ f"C{bx0 + 60},{fy} {bx0 + 60},{fy - 20} {bx0 + 60},{by0 + 30}", color=GREY, sw=1.0, dash="4,4",
368
+ arrow="a-grey")
369
+ t((gx0 + bx0) / 2, fy + 18, "summed cells are compared with the bulk, not forced to match; no cell-type quotas",
370
+ size=5.9, anchor="middle", color=SUB)
371
+ # uses
372
+ ux, bw_, bh_ = 920, 158, 150
373
+ line(gx0 + 96, gy0, ux - 8, gy0, color=INK, sw=1.4, arrow="a-ink")
374
+ for i, ttl in enumerate(["Composition", "Cell-type effects", "Rare subsets"]):
375
+ px0 = ux + i * (bw_ + 18)
376
+ rect(px0, y + 40, bw_, bh_, fill="#FAFAFA", stroke="#D0D0D0", sw=0.8, rx=6)
377
+ t(px0 + bw_ / 2, y + 30, ttl, size=6.5, anchor="middle")
378
+ order = ["T cell", "NK cell", "B cell", "Monocyte"]
379
+ for s in range(4):
380
+ sh = rng.dirichlet([6, 1.5, 1.5, 3])
381
+ bot = y + 160
382
+ for k, lab in enumerate(order):
383
+ hgt = sh[k] * 104
384
+ rect(ux + 22 + s * 32, bot - hgt, 22, hgt, fill=CT[lab])
385
+ bot -= hgt
386
+ t(ux + bw_ / 2, y + 178, "samples", size=5.8, anchor="middle", color=SUB)
387
+ sx0, sy0 = ux + bw_ + 18 + 26, y + 160
388
+ line(sx0, sy0, sx0 + 118, sy0, color=LINE, sw=0.9)
389
+ line(sx0, sy0, sx0, sy0 - 108, color=LINE, sw=0.9)
390
+ line(sx0 + 6, sy0 - 6, sx0 + 110, sy0 - 102, color="#B0B0B0", sw=0.9, dash="3,3")
391
+ xx = rng.normal(0, 1, 26)
392
+ yy = 0.8 * xx + rng.normal(0, 0.45, 26)
393
+ for a, b in zip(xx, yy):
394
+ circle(sx0 + 58 + a * 20, sy0 - 54 - b * 20, 2.7, CT["Monocyte"])
395
+ t(sx0 + 58, sy0 + 14, "observed", size=5.8, anchor="middle", color=SUB)
396
+ t(sx0 - 10, sy0 - 54, "generated", size=5.8, anchor="middle", color=SUB,
397
+ extra=f'transform="rotate(-90 {sx0 - 10} {sy0 - 54})"')
398
+ cx0, cy0 = ux + 2 * (bw_ + 18) + bw_ / 2, y + 108
399
+ for dx, dy in rng.normal(size=(40, 2)) * [26, 18]:
400
+ circle(cx0 + dx, cy0 + dy, 2.9, shade(CT["Monocyte"], 0.45))
401
+ for dx, dy in rng.normal(size=(9, 2)) * [7, 6] + [24, -18]:
402
+ circle(cx0 + dx, cy0 + dy, 2.9, "#B5544F")
403
+ parts.append(f'<ellipse cx="{cx0 + 24}" cy="{cy0 - 18}" rx="21" ry="16" fill="none" stroke="#B5544F" '
404
+ 'stroke-width="1.1" stroke-dasharray="3,2"/>')
405
+ t(cx0, y + 164, "e.g. C1Q-high", size=5.8, anchor="middle", color=SUB)
406
+ t(cx0, y + 178, "monocytes", size=5.8, anchor="middle", color=SUB)
407
+
408
+
409
+ def main() -> int:
410
+ summ = json.loads((ROOT / "source_data/corpus/corpus_summary.json").read_text())
411
+ parts.append(f'<?xml version="1.0" encoding="UTF-8"?>\n<svg xmlns="http://www.w3.org/2000/svg" '
412
+ f'width="{W / U:g}mm" height="{H / U:g}mm" viewBox="0 0 {W} {H}" role="img">')
413
+ parts.append("<title>PBISC-Diffusion overview: pretraining, gene-space diffusion, generation from bulk</title>")
414
+ arrow_defs()
415
+ rect(0, 0, W, H, fill="white")
416
+ panel_a(summ)
417
+ panel_b()
418
+ line(10, 418, W - 10, 418, color="#E2E2E2", sw=1.0)
419
+ panel_c(424)
420
+ parts.append("</svg>")
421
+ OUT.write_text("\n".join(parts) + "\n", encoding="utf-8")
422
+ pdf, png = OUT.with_suffix(".pdf"), OUT.with_suffix(".png")
423
+ cairosvg.svg2pdf(url=str(OUT), write_to=str(pdf))
424
+ cairosvg.svg2png(url=str(OUT), write_to=str(png), output_width=2126)
425
+ rec = {"source_svg": str(OUT.relative_to(ROOT)), "canvas_mm": [W / U, H / U],
426
+ "outputs": {p.suffix: hashlib.sha256(p.read_bytes()).hexdigest() for p in (OUT, pdf, png)},
427
+ "data": "schematic; corpus numbers from source_data/corpus/corpus_summary.json",
428
+ "plan": "editorial/fig1_nature_redesign_plan_20261006.md"}
429
+ OUT.with_suffix(".provenance.json").write_text(json.dumps(rec, indent=1) + "\n")
430
+ print(json.dumps(rec, indent=1))
431
+ return 0
432
+
433
+
434
+ if __name__ == "__main__":
435
+ raise SystemExit(main())
paper-releases/pbisc-diffusion/updates/20261006T133650Z-fig1-nature-style-candidate/diffusion/dataset/server_1/manuscript/scripts/corpus/build_figure1_corpus.py ADDED
@@ -0,0 +1,416 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ #!/usr/bin/env python3
2
+ """Pretraining-corpus figures (2026-10-06; style after Nicheformer Fig. 2).
3
+
4
+ Reads only source_data/corpus/ (written by scripts/corpus/build_corpus_tables.py); every number is computed here
5
+ from those tables.
6
+ figures/fig01_corpus.* Fig. 1 strip (panel c after the architecture a-b): assay shares, disease-family shares per
7
+ assay and L1 cell-type shares; authored at 180 mm like fig01_architecture
8
+ figures/figS_corpus.* Supplementary, panels a-d: overview (split, sample handling, assay, 12 conditions), the 22
9
+ datasets, L1/L2 cell types, and the per-cell record
10
+ Each output has a .provenance.json with input and output hashes.
11
+ """
12
+ from __future__ import annotations
13
+
14
+ import argparse
15
+ import hashlib
16
+ import json
17
+ import string
18
+ from pathlib import Path
19
+
20
+ import matplotlib
21
+
22
+ matplotlib.use("Agg")
23
+ import matplotlib.pyplot as plt # noqa: E402
24
+ import numpy as np # noqa: E402
25
+ import pandas as pd # noqa: E402
26
+ from matplotlib.patches import FancyBboxPatch, Rectangle # noqa: E402
27
+
28
+ MS = Path(__file__).resolve().parents[2]
29
+ SRC = MS / "source_data" / "corpus"
30
+ FIG = MS / "figures"
31
+ MM = 1 / 25.4
32
+ INK, SUB, LIGHT = "#222222", "#5A5A5A", "#D3D3CB"
33
+ plt.rcParams.update({"font.family": "DejaVu Sans", "font.size": 6.5, "axes.linewidth": 0.6,
34
+ "xtick.major.width": 0.6, "ytick.major.width": 0.6, "xtick.major.size": 2,
35
+ "ytick.major.size": 2, "pdf.fonttype": 42, "ps.fonttype": 42, "svg.fonttype": "none"})
36
+
37
+ COND_COLOR = {"Healthy": "#A9B8CC", "SLE": "#7A4F6E", "RA": "#B5655E", "ACPA+ at risk of RA": "#DDA59B",
38
+ "JDM": "#A58BB0", "COVID-19": "#D08C3C", "Post-COVID-19": "#E8C68E", "Influenza": "#9C6B2A",
39
+ "MDS": "#3F7A73", "MDS/MPN": "#6FA39B", "Cytopenia": "#A9D0C8", "DRESS": "#5F5F5F"}
40
+ L1_ORDER = ["T cell", "NK cell", "B cell", "Monocyte", "DC", "Progenitor cell", "Platelet", "Erythrocyte", "ILC",
41
+ "Other", "Unlabelled"]
42
+ L1_COLOR = {"T cell": "#4C6E91", "NK cell": "#8FB0CF", "B cell": "#C98A4B", "Monocyte": "#5E8C6A",
43
+ "DC": "#A8C79C", "Progenitor cell": "#8E6C9E", "Platelet": "#D3B5D3", "Erythrocyte": "#B5655E",
44
+ "ILC": "#7FB3B0", "Other": "#9A9A9A", "Unlabelled": "#E2E2E2"}
45
+ L1_MERGE = {"NKT cell": "Other", "Granulocyte": "Other", "Neutrophil": "Other", "Mast cell": "Other",
46
+ "__unknown__": "Unlabelled", "No label (overlay)": "Unlabelled"}
47
+ SPLIT_COLOR = {"train": "#5B6E8F", "val": "#9AACC4", "test": "#C9D2DF"}
48
+ HAND_COLOR = {"ex vivo": "#5B6E8F", "in vitro": "#C9D2DF"}
49
+
50
+
51
+ def fmt_cells(n: float) -> str:
52
+ return f"{n / 1e6:.1f} M" if n >= 1e6 else f"{n / 1e3:.0f} k"
53
+
54
+
55
+ def pct(x: float) -> str:
56
+ return f"{100 * x:.1f}%" if x >= 0.001 else "<0.1%"
57
+
58
+
59
+ def letter(fig, x, y, s):
60
+ fig.text(x, y, s, fontsize=9, fontweight="bold", va="top", ha="left")
61
+
62
+
63
+ def pie(fig, rect, vals: dict, colors: dict, title: str):
64
+ """small pie with its key to the right (shares of cells)"""
65
+ ax = fig.add_axes(rect)
66
+ keys = [k for k in colors if k in vals]
67
+ tot = sum(vals.values())
68
+ ax.pie([vals[k] for k in keys], colors=[colors[k] for k in keys], startangle=90, counterclock=False,
69
+ wedgeprops={"linewidth": 0.8, "edgecolor": "white"})
70
+ ax.set_aspect("equal")
71
+ x, y = rect[0] + rect[2] + 0.004, rect[1] + rect[3] * 0.62
72
+ fig.text(rect[0], rect[1] + rect[3] + 0.006, title, ha="left", va="bottom", fontsize=6.3)
73
+ for j, k in enumerate(keys):
74
+ fig.patches.append(Rectangle((x, y - j * 0.022 - 0.005), 0.008, 0.010, transform=fig.transFigure,
75
+ color=colors[k]))
76
+ fig.text(x + 0.012, y - j * 0.022, f"{k} {pct(vals[k] / tot)}", fontsize=5.6, va="center")
77
+
78
+
79
+ def strip(ax):
80
+ ax.set_yticks([])
81
+ ax.set_xticks([])
82
+ for sp in ax.spines.values():
83
+ sp.set_visible(False)
84
+
85
+
86
+ L2_SHORT = {"Intermediate monocyte": "Int. monocyte", "Proliferating T cell": "Prolif. T cell",
87
+ "Proliferating NK cell": "Prolif. NK cell", "Transitional B cell": "Transitional B",
88
+ "Memory CD4 T cell": "Memory CD4 T", "Naive CD4 T cell": "Naive CD4 T", "Memory CD8 T cell": "Memory CD8 T",
89
+ "Naive CD8 T cell": "Naive CD8 T", "Naive B cell": "Naive B", "Memory B cell": "Memory B",
90
+ "Effector B cell": "Effector B", "CD56dim NK cell": "CD56dim NK", "CD56bright NK cell": "CD56bright NK",
91
+ "CD14 monocyte": "CD14 mono", "CD16 monocyte": "CD16 mono", "DN T cell": "DN T"}
92
+ NAME_SUFFIX = {"B-cell enriched": " (sorted B cells)"} # the HSPC dataset's name already says HSPC
93
+
94
+
95
+ def load():
96
+ """corpus tables with consistency checks"""
97
+ summ = json.loads((SRC / "corpus_summary.json").read_text())
98
+ D = pd.read_csv(SRC / "corpus_datasets.csv")
99
+ G = pd.read_csv(SRC / "corpus_cellgroups.csv")
100
+ C = pd.read_csv(SRC / "corpus_celltypes.csv")
101
+ conds = summ["conditions_order"]
102
+ if set(G.condition) - set(conds) or set(conds) != set(COND_COLOR):
103
+ raise SystemExit("condition categories differ from the colour map")
104
+ C["l1"] = C.celltype_l1.map(lambda x: L1_MERGE.get(x, x))
105
+ if set(C.l1) - set(L1_ORDER):
106
+ raise SystemExit(f"unexpected L1 labels: {set(C.l1) - set(L1_ORDER)}")
107
+ total = summ["cells"]
108
+ if G.n_cells.sum() != total or C.n_cells.sum() != total or D.n_cells.sum() != total:
109
+ raise SystemExit("tables do not add up to the corpus total")
110
+ return summ, D, G, C, conds, total
111
+
112
+
113
+ def draw_full(L):
114
+ """detailed version (Supplementary): overview, datasets, cell types, per-cell record"""
115
+ summ, D, G, C, conds, total = load()
116
+ W, H = 180, 200
117
+ fig = plt.figure(figsize=(W * MM, H * MM))
118
+
119
+ # ------------------------------------------------------------------ c: overview
120
+ y0 = 0.99
121
+ letter(fig, 0.0, y0, L[0])
122
+ fig.text(0.03, y0 - 0.002, f"Pretraining corpus – {total / 1e6:.1f} million cells from {summ['datasets']} "
123
+ f"datasets, {summ['donors']:,} donors and {summ['samples']:,} samples", fontsize=7, va="top")
124
+ pie(fig, [0.005, 0.835, 0.085, 0.085], summ["split_cells"], SPLIT_COLOR, "Split")
125
+ pie(fig, [0.005, 0.69, 0.085, 0.085], summ["handling_cells"], HAND_COLOR, "Sample handling")
126
+ A = G.groupby(["assay", "condition"]).n_cells.sum().unstack(fill_value=0)
127
+ small = A.sum(1) < 0.002 * total
128
+ other_lab = None
129
+ if small.any():
130
+ other_lab = "Other"
131
+ other_list = ", ".join(A.index[small])
132
+ A.loc[other_lab] = A[small].sum()
133
+ A = A[~small.reindex(A.index, fill_value=False)]
134
+ A = A.loc[A.drop(index=[other_lab] if other_lab else []).sum(1).sort_values(ascending=False).index.tolist()
135
+ + ([other_lab] if other_lab else [])]
136
+ share = A.sum(1) / total
137
+ n = len(A)
138
+ top, bot = 0.915, 0.69
139
+ ax_a = fig.add_axes([0.29, bot, 0.075, top - bot])
140
+ ax_a.barh(np.arange(n), share.values, 0.62, color=LIGHT)
141
+ ax_a.set_ylim(n - 0.5, -0.5)
142
+ ax_a.set_xlim(0, 1.0)
143
+ strip(ax_a)
144
+ fig.text(0.29, top + 0.012, "Assay", fontsize=6.3, va="bottom")
145
+ for i, (lab, sh) in enumerate(share.items()):
146
+ ax_a.text(-0.04, i, lab, ha="right", va="center", fontsize=5.8, transform=ax_a.get_yaxis_transform())
147
+ ax_a.text(sh + 0.03, i, pct(sh), va="center", fontsize=5.6, color=SUB)
148
+ ax_c = fig.add_axes([0.405, bot, 0.59, top - bot])
149
+ ax_c.set_xlim(0, 1)
150
+ ax_c.set_ylim(n - 0.5, -0.5)
151
+ for i, (lab, row) in enumerate(A.iterrows()):
152
+ left, tot = 0.0, row.sum()
153
+ for c in conds:
154
+ w = row.get(c, 0) / tot
155
+ if w <= 0:
156
+ continue
157
+ ax_c.barh(i, w, 0.62, left=left, color=COND_COLOR[c], edgecolor="white", linewidth=0.4)
158
+ if w > 0.12:
159
+ dark = c not in ("Healthy", "ACPA+ at risk of RA", "Post-COVID-19", "Cytopenia", "JDM")
160
+ ax_c.text(left + w / 2, i, c, ha="center", va="center", fontsize=5.5,
161
+ color="white" if dark else INK)
162
+ left += w
163
+ strip(ax_c)
164
+ fig.text(0.405, top + 0.012, "Condition proportions", fontsize=6.3, va="bottom")
165
+ fig.text(0.405, top + 0.003, "0%", fontsize=5.4, color=SUB, va="bottom")
166
+ fig.text(0.995, top + 0.003, "100%", fontsize=5.4, color=SUB, va="bottom", ha="right")
167
+ fam = summ["condition_family"]
168
+ families = list(dict.fromkeys(fam[c] for c in conds))
169
+ width = {f: max([len(c) + 2 for c in conds if fam[c] == f] + [len(f) if f != "Healthy" else 0])
170
+ for f in families}
171
+ xs = 0.405 + np.cumsum([0] + [0.018 + 0.0068 * width[f] for f in families[:-1]])
172
+ for x, f in zip(xs, families):
173
+ if f != "Healthy":
174
+ fig.text(x, 0.672, f, fontsize=5.6, color=SUB, va="top")
175
+ for j, c in enumerate([c for c in conds if fam[c] == f]):
176
+ yy = 0.655 - j * 0.0125
177
+ fig.patches.append(Rectangle((x, yy - 0.004), 0.007, 0.008, transform=fig.transFigure, color=COND_COLOR[c]))
178
+ fig.text(x + 0.011, yy, c, fontsize=5.6, va="center")
179
+ if other_lab:
180
+ fig.text(0.29, 0.672, "Other:\n" + other_list.replace(", ", "\n"), fontsize=5.3, color=SUB, va="top",
181
+ linespacing=1.15)
182
+
183
+ # ------------------------------------------------------------------ d: datasets
184
+ yd = 0.6
185
+ letter(fig, 0.0, yd, L[1])
186
+ fig.text(0.03, yd - 0.002, "Datasets", fontsize=7, va="top")
187
+ D = D.sort_values("n_cells", ascending=False).reset_index(drop=True)
188
+ nd = len(D)
189
+ dtop, dbot = 0.565, 0.345
190
+ drh = (dtop - dbot) / nd
191
+ hdr = dtop + 0.006
192
+ x_assay, x_bar0, x_bar1 = 0.262, 0.27, 0.43
193
+ ax_n = fig.add_axes([x_bar0, dbot, x_bar1 - x_bar0, dtop - dbot])
194
+ ax_n.barh(np.arange(nd), D.n_cells, 0.62, color="#B8B8AE")
195
+ ax_n.set_xscale("log")
196
+ ax_n.set_xlim(1e4, 1e8)
197
+ ax_n.set_ylim(nd - 0.5, -0.5)
198
+ ax_n.set_yticks([])
199
+ ax_n.set_xticks([1e4, 1e5, 1e6, 1e7], ["10k", "100k", "1M", "10M"])
200
+ ax_n.minorticks_off()
201
+ ax_n.tick_params(axis="x", labelsize=5.3, pad=1)
202
+ for sp in ("top", "right", "left"):
203
+ ax_n.spines[sp].set_visible(False)
204
+ fig.text(x_bar0, hdr, "Cells", fontsize=6.3, va="bottom")
205
+ fig.text(x_assay, hdr, "Assay", fontsize=6.3, va="bottom", ha="right")
206
+ fig.text(0.005, hdr, "Dataset", fontsize=6.3, va="bottom")
207
+ x_don, x_smp = 0.512, 0.567
208
+ fig.text(x_don, hdr, "Donors", fontsize=6.3, va="bottom", ha="right")
209
+ fig.text(x_smp, hdr, "Samples", fontsize=6.3, va="bottom", ha="right")
210
+ for i, r in D.iterrows():
211
+ y = dtop - (i + 0.5) * drh
212
+ fig.text(0.005, y, r.short_name + NAME_SUFFIX.get(r.enrichment, ""), fontsize=5.6, va="center")
213
+ fig.text(x_assay, y, r.assay, fontsize=5.3, va="center", ha="right", color=SUB)
214
+ ax_n.text(r.n_cells * 1.15, i, fmt_cells(r.n_cells), va="center", fontsize=5.3, color=SUB)
215
+ fig.text(x_don, y, f"{r.n_donors:,}", fontsize=5.6, va="center", ha="right")
216
+ fig.text(x_smp, y, f"{r.n_samples:,}", fontsize=5.6, va="center", ha="right")
217
+ cg = G.groupby(["dataset_prefix", "condition"]).n_cells.sum().unstack(fill_value=0)
218
+ ct = C.groupby(["dataset_prefix", "l1"]).n_cells.sum().unstack(fill_value=0)
219
+ for x0, w0, tab, order, cmap, title in ((0.585, 0.195, cg, conds, COND_COLOR, "Condition"),
220
+ (0.80, 0.195, ct, L1_ORDER, L1_COLOR, "Cell type (L1)")):
221
+ ax = fig.add_axes([x0, dbot, w0, dtop - dbot])
222
+ for i, r in D.iterrows():
223
+ row = tab.loc[r.dataset_prefix]
224
+ left, tot = 0.0, row.sum()
225
+ for k in order:
226
+ v = row.get(k, 0) / tot
227
+ if v > 0:
228
+ ax.barh(i, v, 0.62, left=left, color=cmap[k], edgecolor="none")
229
+ left += v
230
+ ax.set_xlim(0, 1)
231
+ ax.set_ylim(nd - 0.5, -0.5)
232
+ strip(ax)
233
+ fig.text(x0, hdr, title, fontsize=6.3, va="bottom")
234
+
235
+ # ------------------------------------------------------------------ e: cell types
236
+ ye = 0.29
237
+ letter(fig, 0.0, ye, L[2])
238
+ fig.text(0.03, ye - 0.002, "Cell types (source labels mapped to a shared two-level hierarchy)", fontsize=7, va="top")
239
+ l1 = C.groupby("l1").n_cells.sum().reindex(L1_ORDER).fillna(0)
240
+ ax_d = fig.add_axes([0.0, 0.085, 0.165, 0.165])
241
+ w, _ = ax_d.pie(l1.values, colors=[L1_COLOR[k] for k in l1.index], startangle=90, counterclock=False,
242
+ wedgeprops={"width": 0.36, "linewidth": 0.6, "edgecolor": "white"})
243
+ ax_d.set_aspect("equal")
244
+ ax_d.text(0, 0, f"{total / 1e6:.1f} M\ncells", ha="center", va="center", fontsize=6.2)
245
+ for j, k in enumerate(L1_ORDER):
246
+ y = 0.245 - j * 0.0148
247
+ fig.patches.append(Rectangle((0.172, y - 0.004), 0.007, 0.008, transform=fig.transFigure, color=L1_COLOR[k]))
248
+ fig.text(0.183, y, k, fontsize=5.5, va="center")
249
+ fig.text(0.29, y, pct(l1[k] / total), fontsize=5.5, va="center", ha="right", color=SUB)
250
+ l2 = C[~C.l1.isin(["Other", "Unlabelled"]) & (C.celltype_l2 != "__unspecified__")]
251
+ l2 = l2[l2.celltype_l2 != l2.celltype_l1].groupby(["l1", "celltype_l2"]).n_cells.sum().reset_index()
252
+ l2["o"] = l2.l1.map({k: i for i, k in enumerate(L1_ORDER)})
253
+ l2 = l2.sort_values(["o", "n_cells"], ascending=[True, False]).reset_index(drop=True)
254
+ two = C[C.l1.isin(l2.l1.unique())]
255
+ resolved = l2.n_cells.sum() / two.n_cells.sum()
256
+ ax2 = fig.add_axes([0.355, 0.095, 0.425, 0.15])
257
+ ax2.bar(np.arange(len(l2)), l2.n_cells, 0.72, color=[L1_COLOR[k] for k in l2.l1], edgecolor="none")
258
+ ax2.set_yscale("log")
259
+ ax2.set_ylim(1e3, 2e7)
260
+ ax2.set_yticks([1e3, 1e4, 1e5, 1e6, 1e7], ["1k", "10k", "100k", "1M", "10M"])
261
+ ax2.minorticks_off()
262
+ ax2.set_xticks(np.arange(len(l2)), [L2_SHORT.get(x, x) for x in l2.celltype_l2], rotation=60, ha="right",
263
+ rotation_mode="anchor", fontsize=5.3)
264
+ ax2.tick_params(axis="x", length=0, pad=1.5)
265
+ ax2.tick_params(axis="y", labelsize=5.3, pad=1)
266
+ ax2.set_xlim(-0.6, len(l2) - 0.4)
267
+ for sp in ("top", "right"):
268
+ ax2.spines[sp].set_visible(False)
269
+ ax2.set_ylabel("Cells", fontsize=5.8, labelpad=1)
270
+ fig.text(0.355, 0.262, f"{len(l2)} L2 subtypes, {fmt_cells(l2.n_cells.min())} to {fmt_cells(l2.n_cells.max())} "
271
+ f"cells each (L2 resolved for {pct(resolved)} of their L1 cells)", fontsize=5.8, va="bottom")
272
+
273
+ # ------------------------------------------------------------------ f: per-cell record
274
+ xf = 0.81
275
+ letter(fig, xf - 0.025, ye, L[3])
276
+ fig.text(xf + 0.005, ye - 0.002, "Per-cell record", fontsize=7, va="top")
277
+ G_GENES = 20097
278
+
279
+ def gbox(x, y, w, h, txt, fs=5.6):
280
+ fig.patches.append(Rectangle((x, y), w, h, transform=fig.transFigure, color="#D9D9D1"))
281
+ fig.text(x + w / 2, y + h / 2, txt, ha="center", va="center", fontsize=fs, linespacing=1.1)
282
+ gbox(xf, 0.228, 0.13, 0.024, f"var: {G_GENES:,} genes")
283
+ gbox(xf, 0.155, 0.13, 0.066, "Raw counts\n+ measured-gene\nmask", fs=5.6)
284
+ gbox(xf + 0.137, 0.155, 0.04, 0.066, "obs", fs=5.6)
285
+ fig.text(xf, 0.142, "Used for bulks and splits", fontsize=5.6, fontweight="bold", va="top")
286
+ fig.text(xf, 0.127, "sample (cells of one sample),\nplatform (recipe share),\ndataset + donor (split)",
287
+ fontsize=5.3, va="top", linespacing=1.15)
288
+ fig.text(xf, 0.083, "Never given to the model", fontsize=5.6, fontweight="bold", va="top")
289
+ fig.text(xf, 0.068, "condition, cell type (L1/L2)", fontsize=5.3, va="top")
290
+ fig.text(xf, 0.048, "Bulk = sum of K cells,\nK = 250–4,000", fontsize=5.3, va="top", color=SUB,
291
+ linespacing=1.15)
292
+
293
+ return fig, (W, H), {L[0]: "corpus overview", L[1]: "datasets", L[2]: "cell types", L[3]: "per-cell record"}
294
+
295
+
296
+ FAMILY_COLOR = {"Healthy": "#A9B8CC", "Autoimmune": "#7A4F6E", "Infection": "#D08C3C", "Hematologic": "#3F7A73",
297
+ "Drug reaction": "#5F5F5F"}
298
+ ASSAY_GROUP = {"10x 3' v3": "10x 3'", "10x 3' v2": "10x 3'", "10x 3' (hashed)": "10x 3'", "10x 5' v1": "10x 5'",
299
+ "10x 5' v2": "10x 5'", "10x Flex": "10x Flex", "Parse": "Parse", "ScaleBio": "ScaleBio"}
300
+ L1_SHOW = ["T cell", "Monocyte", "B cell", "NK cell", "Progenitor cell", "DC"]
301
+
302
+
303
+ def draw_compact(L, nature=False):
304
+ """Fig. 1 strip: assay shares, disease-family shares per assay, L1 cell-type shares.
305
+ nature=True: the variant under the Nature-style overview (panel d; a-c carry the corpus size, so the title names
306
+ the content only and is set bold like the a-c headers)"""
307
+ summ, D, G, C, conds, total = load()
308
+ fam = summ["condition_family"]
309
+ W, H = 180, 38
310
+ fig = plt.figure(figsize=(W * MM, H * MM))
311
+ fs, fsl = 7.2, 6.8
312
+ letter(fig, 0.0, 0.96, L[0])
313
+ if nature:
314
+ fig.text(0.03, 0.96, "Pretraining corpus: assays, conditions and cell types", fontsize=7.5, va="top",
315
+ fontweight="bold")
316
+ else:
317
+ fig.text(0.03, 0.96, f"Pretraining corpus: {total / 1e6:.1f} million cells from {summ['datasets']} datasets, "
318
+ f"{summ['donors']:,} donors and {summ['samples']:,} samples", fontsize=8.2, va="top")
319
+ G = G.assign(group=G.assay.map(lambda a: ASSAY_GROUP.get(a, "Other")), family=G.condition.map(fam))
320
+ A = G.groupby(["group", "family"]).n_cells.sum().unstack(fill_value=0)
321
+ order = A.drop(index=["Other"], errors="ignore").sum(1).sort_values(ascending=False).index.tolist()
322
+ A = A.loc[order + (["Other"] if "Other" in A.index else [])]
323
+ fams = [f for f in FAMILY_COLOR if f in A.columns]
324
+ share = A.sum(1) / total
325
+ n = len(A)
326
+ top, bot = 0.76, 0.32
327
+ ax_a = fig.add_axes([0.105, bot, 0.06, top - bot])
328
+ ax_a.barh(np.arange(n), share.values, 0.8, color=LIGHT)
329
+ ax_a.set_ylim(n - 0.5, -0.5)
330
+ ax_a.set_xlim(0, 1)
331
+ strip(ax_a)
332
+ fig.text(0.105, top + 0.035, "Assay", fontsize=fsl, va="bottom")
333
+ for i, (lab, sh) in enumerate(share.items()):
334
+ ax_a.text(-0.05, i, lab, ha="right", va="center", fontsize=fsl, transform=ax_a.get_yaxis_transform())
335
+ ax_a.text(sh + 0.04, i, pct(sh), va="center", fontsize=fsl - 0.6, color=SUB)
336
+ ax_c = fig.add_axes([0.215, bot, 0.40, top - bot])
337
+ ax_c.set_xlim(0, 1)
338
+ ax_c.set_ylim(n - 0.5, -0.5)
339
+ for i, (lab, row) in enumerate(A.iterrows()):
340
+ left, tot = 0.0, row.sum()
341
+ for f in fams:
342
+ w = row.get(f, 0) / tot
343
+ if w <= 0:
344
+ continue
345
+ ax_c.barh(i, w, 0.8, left=left, color=FAMILY_COLOR[f], edgecolor="white", linewidth=0.4)
346
+ seg_mm = w * 0.40 * W
347
+ if seg_mm > 1.35 * len(f) + 3: # label only segments wide enough for it
348
+ ax_c.text(left + w / 2, i, f, ha="center", va="center", fontsize=fsl - 1.2,
349
+ color=INK if f == "Healthy" else "white")
350
+ left += w
351
+ strip(ax_c)
352
+ fig.text(0.215, top + 0.035, "Condition proportions", fontsize=fsl, va="bottom")
353
+ x, y, rend = 0.215, 0.19, fig.canvas.get_renderer()
354
+ for f in fams: # two legend rows, kept left of the cell-type ring
355
+ sh = G[G.family == f].n_cells.sum() / total
356
+ r = Rectangle((x, y - 0.03), 0.009, 0.06, transform=fig.transFigure, color=FAMILY_COLOR[f])
357
+ t = fig.text(x + 0.013, y, f"{f} {pct(sh)}", fontsize=fsl - 0.6, va="center")
358
+ bb = t.get_window_extent(renderer=rend).transformed(fig.transFigure.inverted())
359
+ if bb.x1 > 0.615:
360
+ x, y = 0.215, y - 0.12
361
+ r.set_xy((x, y - 0.03))
362
+ t.set_position((x + 0.013, y))
363
+ bb = t.get_window_extent(renderer=rend).transformed(fig.transFigure.inverted())
364
+ fig.patches.append(r)
365
+ x = bb.x1 + 0.018
366
+ # cell types
367
+ l1 = C.groupby("l1").n_cells.sum()
368
+ show = l1.reindex(L1_SHOW)
369
+ rest = total - show.sum()
370
+ vals = list(show.values) + [rest]
371
+ keys = L1_SHOW + ["Other"]
372
+ ax_d = fig.add_axes([0.645, 0.02, 0.14, 0.84])
373
+ ax_d.pie(vals, colors=[L1_COLOR[k] for k in keys], startangle=90, counterclock=False,
374
+ wedgeprops={"width": 0.36, "linewidth": 0.6, "edgecolor": "white"})
375
+ ax_d.set_aspect("equal")
376
+ ax_d.text(0, 0, "Cell\ntypes", ha="center", va="center", fontsize=fsl)
377
+ for j, (k, v) in enumerate(zip(keys, vals)):
378
+ y = 0.80 - j * 0.118
379
+ fig.patches.append(Rectangle((0.80, y - 0.03), 0.009, 0.06, transform=fig.transFigure, color=L1_COLOR[k]))
380
+ fig.text(0.813, y, k.replace("Progenitor cell", "Progenitor"), fontsize=fsl, va="center")
381
+ fig.text(0.995, y, pct(v / total), fontsize=fsl, va="center", ha="right", color=SUB)
382
+ return fig, (W, H), {L[0]: "pretraining corpus: assay, condition family and L1 cell-type shares"}
383
+
384
+
385
+ def save(fig, stem, canvas, panels, note):
386
+ out = {}
387
+ for ext in ("pdf", "png", "svg"):
388
+ p = FIG / f"{stem}.{ext}"
389
+ fig.savefig(p, dpi=300 if ext == "png" else None)
390
+ out[ext] = {"path": str(p.relative_to(MS)), "sha256": hashlib.sha256(p.read_bytes()).hexdigest()}
391
+ prov = {"script": "scripts/corpus/build_figure1_corpus.py", "canvas_mm": list(canvas), "panels": panels,
392
+ "inputs": {f.name: hashlib.sha256(f.read_bytes()).hexdigest() for f in sorted(SRC.glob("*.csv"))
393
+ + [SRC / "corpus_summary.json"]},
394
+ "outputs": out, "note": note,
395
+ "scope": "Rendering only; every value is read from source_data/corpus/ (build_corpus_tables.py)."}
396
+ (FIG / f"{stem}.provenance.json").write_text(json.dumps(prov, indent=1) + "\n")
397
+ plt.close(fig)
398
+ print(stem, canvas)
399
+
400
+
401
+ def main() -> int:
402
+ ap = argparse.ArgumentParser()
403
+ a = ap.parse_args()
404
+ abc = string.ascii_lowercase
405
+ fig, canvas, panels = draw_compact(abc[abc.index("c"):])
406
+ save(fig, "fig01_corpus", canvas, panels, "Fig. 1c strip under the current fig01_architecture (a-b); 180 mm")
407
+ with plt.rc_context({"font.family": "Arial"}): # the Nature-style overview is set in Arial
408
+ fig, canvas, panels = draw_compact(abc[abc.index("d"):], nature=True)
409
+ save(fig, "fig01_corpus_nature", canvas, panels, "Fig. 1d strip under fig01_architecture_nature (a-c); 180 mm")
410
+ fig, canvas, panels = draw_full(abc)
411
+ save(fig, "figS_corpus", canvas, panels, "Supplementary: detailed corpus description")
412
+ return 0
413
+
414
+
415
+ if __name__ == "__main__":
416
+ raise SystemExit(main())
paper-releases/pbisc-diffusion/updates/20261006T133650Z-fig1-nature-style-candidate/diffusion/metadata/inference_locations.json ADDED
@@ -0,0 +1,5 @@
 
 
 
 
 
 
1
+ {
2
+ "locations": [],
3
+ "project_id": "pbisc-diffusion",
4
+ "update_id": "20261006T133650Z-fig1-nature-style-candidate"
5
+ }
paper-releases/pbisc-diffusion/updates/20261006T133650Z-fig1-nature-style-candidate/diffusion/metadata/request.json ADDED
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+ {
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+ "assets": [
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+ "host": "server_1",
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+ "kind": "config",
102
+ "source": "/home/sj_server_1/PBISC/paper-release-20260928/manuscript/figures/figS_corpus.provenance.json",
103
+ "state": "completed"
104
+ },
105
+ {
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+ "host": "server_1",
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+ "kind": "figure",
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+ "source": "/home/sj_server_1/PBISC/paper-release-20260928/manuscript/figures/figS_corpus.svg",
109
+ "state": "completed"
110
+ },
111
+ {
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+ "host": "server_1",
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+ "kind": "code",
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+ "source": "/home/sj_server_1/PBISC/paper-release-20260928/manuscript/scripts/build_figure1_architecture_nature.py",
115
+ "state": "completed"
116
+ },
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+ {
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+ "host": "server_1",
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+ "kind": "code",
120
+ "source": "/home/sj_server_1/PBISC/paper-release-20260928/manuscript/scripts/corpus/build_figure1_corpus.py",
121
+ "state": "completed"
122
+ }
123
+ ],
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+ "inference_locations": [],
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+ "project_id": "pbisc-diffusion",
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+ "summary": "Candidate Nature-style Figure 1 (not yet in the manuscript): plan from six Nature-family Fig. 1 overviews (editorial/fig1_nature_redesign_plan_20261006.md); new SVG master fig01_architecture_nature (a pretraining on pseudobulk, b diffusion on each gene's value and detection with the drawn read-out, c from a measured bulk to cells with optional few-pair low-rank adaptation and uses), Arial, 180 x 95 mm, schematic with corpus numbers from corpus_summary.json; panel-d strip variant fig01_corpus_nature; preview in figures/drafts. The current fig01_corpus (panel c) and overview_figure.tex are unchanged."
127
+ }