Datasets:
Formats:
parquet
Size:
100K - 1M
Tags:
population-genetics
demographic-inference
effective-population-size
coalescent
msprime
simulation
License:
File size: 74,295 Bytes
ee5b44c | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 | from __future__ import annotations
from collections.abc import Callable
from typing import Sequence
import msprime
import numpy as np
from .config import (
DEMOGRAPHY_TYPE_IDS,
NE_BOUNDS,
NE_LOG10_BOUNDS,
NE_LOG10_STRESS_BOUNDS,
NE_STRESS_BOUNDS,
GENERATOR_RECIPE_IDS,
GENERATOR_RECIPE_HISTORY_FAMILY_OVERRIDES,
GENERATOR_RECIPE_TO_DEMOGRAPHY_TYPE,
HISTORY_FAMILY_BY_DEMOGRAPHY_TYPE,
Config,
)
from .ne_templates import empirical_ne_templates_available, load_empirical_ne_templates
from .stdpopsim_templates import (
choose_stdpopsim_template,
stdpopsim_templates_available,
)
from .utils import (
bin_average_log10_ne,
loguniform,
piecewise_eval,
time_grid,
)
SamplerResult = tuple[list[float], list[float], dict]
DemoSampler = Callable[[np.random.Generator, Config, np.ndarray, np.ndarray], SamplerResult]
# Where a recipe puts the trajectory as a whole, in log10 effective size.
#
# Every recipe used to carry its own hard-coded range and they had all been
# chosen the same way: 3,000 to 200,000, 2,000 to 200,000, 3,000 to 120,000.
# Weighted over the mixture that left essentially nothing below ten thousand --
# the lowest four 0.25-decade bands of the mean level held 0.000, 0.000, 0.003
# and 0.008 of the weight -- while the prediction head runs from 100 to a
# million. The bottom decade of the model's own output range was never
# trained. Real populations live there: the vaquita's effective size is under
# three thousand, and so is that of most managed and island populations.
#
# 2.4 to 5.6 leaves four tenths of a decade of headroom at each end for the
# trajectory's own excursion before it reaches the declared bounds.
LEVEL_LOG10_RANGE = (2.4, 5.6)
LEVEL_NE_RANGE = (10.0 ** LEVEL_LOG10_RANGE[0], 10.0 ** LEVEL_LOG10_RANGE[1])
# Recipes whose public type depends on the trajectory they happened to draw.
# A recipe whose public label is a property of the drawn trajectory: whether a
# run of size changes adds up to an expansion or a contraction is not
# something the sampler decides.
_DYNAMIC_DIRECTION_RECIPES = frozenset(
{"size_event", "multi_event", "exponential", "event_on_background"}
)
DEMO_PROB_FIELDS = [
# Background trajectory
("constant", "p_constant"),
("spectral_walk", "p_spectral_walk"),
# Events, parameterised continuously rather than named
("size_event", "p_size_event"),
("multi_event", "p_multi_event"),
("exponential", "p_exponential"),
("sawtooth", "p_sawtooth"),
("literature_sawtooth", "p_literature_sawtooth"),
("bottleneck", "p_bottleneck"),
("event_on_background", "p_event_on_background"),
("ooa_chain", "p_ooa_chain"),
# Anchored on histories somebody else published
("empirical_human_ne_template", "p_empirical_human_ne_template"),
("stdpopsim_single_pop", "p_stdpopsim_single_pop"),
]
def build_demography(
breaks: Sequence[float],
values: Sequence[float],
growth_rates: Sequence[float] | None = None,
) -> msprime.Demography:
if growth_rates is None:
growth_rates = [0.0] * len(values)
if len(growth_rates) != len(values):
raise ValueError("growth_rates must contain one rate per demographic epoch")
dem = msprime.Demography()
dem.add_population(
name="pop",
initial_size=float(values[0]),
growth_rate=float(growth_rates[0]),
)
for t, n, growth_rate in zip(breaks, values[1:], growth_rates[1:]):
dem.add_population_parameters_change(
time=float(t),
initial_size=float(n),
growth_rate=float(growth_rate),
population="pop",
)
dem.sort_events()
return dem
def _clean_demography(
breaks: Sequence[float],
values: Sequence[float],
growth_rates: Sequence[float] | None,
stress: bool = False,
) -> tuple[list[float], list[float], list[float]]:
"""Final tidy-up, clipped to the band the sampler declared.
Applying the stress band here would open it for every sampler. That
happened once while consolidating these bounds: the regular samplers hold
[2.0, 6.0] inside their own construction, and a stress-band clip here
reopened the door to [1.7, 6.3], after which 2,000 draws reported the same
support for both groups -- exactly what two bands exist to prevent.
"""
bounds = NE_STRESS_BOUNDS if stress else NE_BOUNDS
if len(values) != len(breaks) + 1:
raise ValueError("demography values must have exactly one more item than breaks")
if growth_rates is None:
growth_rates = [0.0] * len(values)
if len(growth_rates) != len(values):
raise ValueError("growth_rates must contain one rate per demographic epoch")
pairs = sorted(
(float(t), float(v), float(g))
for t, v, g in zip(breaks, values[1:], growth_rates[1:])
if np.isfinite(t) and float(t) > 0
)
out_breaks: list[float] = []
out_values = [float(values[0])]
out_growth_rates = [float(growth_rates[0])]
last = 0.0
for t, v, growth_rate in pairs:
if t <= last + 1e-6:
continue
out_breaks.append(t)
out_values.append(float(np.clip(v, *bounds)))
out_growth_rates.append(growth_rate)
last = t
out_values[0] = float(np.clip(out_values[0], *bounds))
if not np.all(np.isfinite(out_growth_rates)):
raise ValueError("demography growth rates must be finite")
return out_breaks, out_values, out_growth_rates
def resolve_demography_type(
generator_recipe: str,
values: Sequence[float],
meta: dict,
) -> str:
"""Map a fine-grained generator recipe to its public scientific type."""
if generator_recipe in _DYNAMIC_DIRECTION_RECIPES:
# These have no fixed public type: whether a run of events adds up to
# an expansion, a contraction or neither is a property of the drawn
# trajectory, not of the sampler.
present_ne = float(values[0])
ancient_ne = float(values[-1])
if present_ne > ancient_ne * 1.05:
return "expansion"
if present_ne * 1.05 < ancient_ne:
return "contraction"
return "constant"
try:
demography_type = GENERATOR_RECIPE_TO_DEMOGRAPHY_TYPE[generator_recipe]
except KeyError as exc:
raise ValueError(f"Unknown demography generator recipe: {generator_recipe!r}") from exc
if demography_type is None:
raise ValueError(f"Generator recipe {generator_recipe!r} requires dynamic classification")
return demography_type
def _trajectory_form(
generator_recipe: str,
breaks: Sequence[float],
growth_rates: Sequence[float],
meta: dict,
) -> str:
if generator_recipe == "constant":
return "constant"
if generator_recipe == "empirical_human_ne_template":
return "empirical_template"
if meta.get("curve_demography", False):
return "resolved_curve"
if any(abs(float(rate)) > 0.0 for rate in growth_rates):
if meta.get("demography_function") == "exponential_linear_time" and len(breaks) == 1:
return "exponential_linear_time"
return "piecewise_exponential"
if len(breaks) == 1:
return "step"
return "piecewise_step"
def trajectory_shape_values(
edges: np.ndarray,
breaks: Sequence[float],
values: Sequence[float],
growth_rates: Sequence[float],
) -> np.ndarray:
"""Return ordered left/right-limit values from the present to target max."""
values_arr = np.asarray(values, dtype=np.float64)
rates_arr = np.asarray(growth_rates, dtype=np.float64)
breaks_arr = np.asarray(breaks, dtype=np.float64)
if len(values_arr) != len(breaks_arr) + 1 or len(rates_arr) != len(values_arr):
raise ValueError("invalid demographic epoch arrays")
left = 0.0
right = float(edges[-1])
starts = np.concatenate(([0.0], breaks_arr))
def epoch_value(epoch: int, time: float) -> float:
elapsed = time - float(starts[epoch])
with np.errstate(over="raise", invalid="raise"):
result = float(values_arr[epoch] * np.exp(-rates_arr[epoch] * elapsed))
if not np.isfinite(result) or result <= 0.0:
raise ValueError("demographic trajectory has a non-finite or non-positive size")
return result
left_epoch = int(np.searchsorted(breaks_arr, left, side="right"))
path = [epoch_value(left_epoch, left)]
for epoch, boundary in enumerate(breaks_arr):
if left < float(boundary) < right:
# Preserve both limits when an instantaneous size reset accompanies
# a rate change. Smooth transitions simply contribute a duplicate.
path.append(epoch_value(epoch, float(boundary)))
post_change = float(values_arr[epoch + 1])
if not np.isfinite(post_change) or post_change <= 0.0:
raise ValueError(
"demographic trajectory has a non-finite or non-positive size"
)
path.append(post_change)
right_epoch = int(np.searchsorted(breaks_arr, right, side="left"))
path.append(epoch_value(right_epoch, right))
return np.asarray(path, dtype=np.float64)
def summarize_demography(
edges: np.ndarray,
breaks: Sequence[float],
values: Sequence[float],
growth_rates: Sequence[float],
meta: dict,
*,
generator_recipe: str,
demography_type: str,
) -> dict:
t_max = float(edges[-1])
recent_grid = np.geomspace(float(edges[0]), min(5_000.0, t_max), 96)
ancient_left = min(max(50_000.0, float(edges[0])), t_max)
ancient_grid = np.geomspace(ancient_left, t_max, 96) if ancient_left < t_max else np.array([t_max])
recent_ne = piecewise_eval(recent_grid, breaks, values, growth_rates)
ancient_ne = piecewise_eval(ancient_grid, breaks, values, growth_rates)
if (
not np.all(np.isfinite(recent_ne))
or not np.all(np.isfinite(ancient_ne))
or np.any(recent_ne <= 0.0)
or np.any(ancient_ne <= 0.0)
):
raise ValueError("demographic trajectory summary is non-finite or non-positive")
shape_values = trajectory_shape_values(
edges,
breaks,
values,
growth_rates,
)
min_ne = float(np.min(shape_values))
max_ne = float(np.max(shape_values))
log10_values = np.log10(shape_values)
log10_diffs = np.diff(log10_values)
nonzero_diffs = log10_diffs[np.abs(log10_diffs) > 1e-12]
signs = np.sign(nonzero_diffs)
turn_count = int(np.sum(signs[1:] != signs[:-1])) if signs.size > 1 else 0
log10_ne_range = float(np.max(log10_values) - np.min(log10_values))
total_variation_log10 = float(np.sum(np.abs(log10_diffs)))
if log10_ne_range <= 1e-12:
direction = "stable"
elif turn_count > 0:
direction = "mixed"
elif shape_values[0] > shape_values[-1]:
direction = "toward_present_growth"
else:
direction = "toward_present_decline"
if not breaks:
time_regime = "none"
else:
min_break = float(min(breaks))
max_break = float(max(breaks))
if min_break <= 5_000.0 and max_break >= 50_000.0:
time_regime = "multiscale"
elif max_break <= 5_000.0:
time_regime = "recent"
elif min_break >= 50_000.0:
time_regime = "ancient"
else:
time_regime = "intermediate"
event_duration = float(meta.get("event_duration", 0.0))
# ``event_severity`` has exactly one definition -- the smallest effective
# size the trajectory reaches over the largest -- and it is computed here,
# once, for every recipe. It used to be computable here and also
# overridable by the sampler, and five samplers took the override under
# three different conventions: bottleneck-over-present in three of them,
# founder-over-ancient in a fourth, founder-over-present in a fifth.
# Worse, they wrote the value they drew rather than the one they realised,
# so wherever the effective size hit its floor the number was wrong -- 37%
# of ``recent_bottleneck_extreme`` rows, at a declared median depth of
# 0.0032 against a realised 0.0076.
severity = float(min_ne / max(max_ne, 1.0))
has_recent = bool(meta.get("has_recent_event", any(float(t) <= 5_000.0 for t in breaks)))
has_ancient = bool(meta.get("has_ancient_event", any(float(t) >= 50_000.0 for t in breaks)))
if generator_recipe == "stdpopsim":
curve_origin = "catalog_model"
dataset_regime = "anchor"
elif meta.get("literature_demography_anchor", False):
curve_origin = "literature_anchor"
dataset_regime = "benchmark"
elif meta.get("empirical_ne_template", False):
curve_origin = "empirical_derived"
dataset_regime = "normal"
elif meta.get("ultra_stress_scenario", False):
curve_origin = "generic_synthetic"
dataset_regime = "ultra"
elif meta.get("stress_scenario", False):
curve_origin = "generic_synthetic"
dataset_regime = "extreme"
else:
curve_origin = "generic_synthetic"
dataset_regime = "normal"
return {
"n_epochs": int(len(values)),
"n_change_points": int(len(breaks)),
"has_recent_event": has_recent,
"has_ancient_event": has_ancient,
"min_Ne": min_ne,
"max_Ne": max_ne,
"Ne_ratio_max_min": float(max_ne / max(min_ne, 1.0)),
"recent_min_Ne": float(np.min(recent_ne)),
"ancient_mean_Ne": float(np.mean(ancient_ne)),
"event_severity": severity,
"event_duration": event_duration,
"log10_ne_range": log10_ne_range,
"total_variation_log10": total_variation_log10,
"mean_abs_log10_change": float(
total_variation_log10 / max(1, len(nonzero_diffs))
),
"turn_count": turn_count,
"direction": direction,
"time_regime": time_regime,
"trajectory_form": _trajectory_form(
generator_recipe,
breaks,
growth_rates,
meta,
),
"curve_origin": curve_origin,
"dataset_regime": dataset_regime,
"history_family": GENERATOR_RECIPE_HISTORY_FAMILY_OVERRIDES.get(
generator_recipe,
HISTORY_FAMILY_BY_DEMOGRAPHY_TYPE[demography_type],
),
"time_span_min": 0.0,
"target_time_span_min": float(edges[0]),
"time_span_max": t_max,
}
def _native_exponential_transition(
present_ne: float,
older_ne: float,
start: float,
) -> tuple[list[float], list[float], list[float]]:
"""Return an exact linear-time exponential transition for msprime.
Positive growth rates mean growth towards the present, following msprime's
backward-time convention ``N(t) = N(0) exp(-g t)``.
"""
if start <= 0:
raise ValueError("exponential transition time must be positive")
growth_rate = float(np.log(present_ne / older_ne) / start)
return [float(start)], [float(present_ne), float(older_ne)], [growth_rate, 0.0]
def _boundary_values(
initial_size: float,
breaks: Sequence[float],
growth_rates: Sequence[float],
) -> list[float]:
"""Calculate continuous epoch-boundary sizes under msprime semantics."""
if len(growth_rates) != len(breaks) + 1:
raise ValueError("growth_rates must contain one rate per demographic epoch")
values = [float(initial_size)]
previous_time = 0.0
for index, boundary in enumerate(breaks):
elapsed = float(boundary) - previous_time
values.append(float(values[-1] * np.exp(-float(growth_rates[index]) * elapsed)))
previous_time = float(boundary)
return values
def _smoothed_array(arr: np.ndarray, win: int) -> np.ndarray:
if win <= 1:
return arr
kernel = np.ones(win) / win
sm = np.convolve(arr, kernel, mode="same")
half = win // 2
if half:
sm[:half] = arr[:half]
sm[-half:] = arr[-half:]
return sm
def _constant(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
n0 = loguniform(rng, *LEVEL_NE_RANGE)
return [], [n0], {
"control_type": "constant",
"has_recent_event": False,
"has_ancient_event": False,
}
# ---------------------------------------------------------------------------
# The spectral walk
# ---------------------------------------------------------------------------
#
# One sampler in place of the four random walks that used to carry 34.5% of
# rows, plus ``near_constant`` and the two stress walks.
#
# Measured against ``empirical_human_ne_template``, the one anchor in the
# mixture built from inferred human histories -- turning points 6/9/13, total
# variation 1.68/2.65/3.46, range 0.78/1.27/1.78 in log10 Ne -- those four
# produced a bimodal union. Fifteen percent of rows sat near 6 turning points
# and 19.5% near 19-23, with nothing at 9, which is where the human anchor is;
# the union's range median was 0.68 against the anchor's 1.27. A ridge
# classifier separates them (0.733 against 0.25 chance), so they were not
# duplicates -- but they occupied two corners of the (roughness x amplitude)
# plane and left the other two empty, and the crowded corner, three code paths
# and a fifth of all rows, was high-frequency and low-amplitude. That is the
# regime where a curve wiggling fast around a level puts almost nothing into
# the coalescent length spectrum, so predicting the level and ignoring the
# structure is the winning strategy. The mixture was teaching the shortcut.
#
# All of them were also defined in bin index -- they stepped ``cfg.time_bins``
# times and placed knots at a fixed fraction of that count -- so changing the
# generation grid changed their distribution instead of resolving it.
#
# This one is a band-limited Fourier series on continuous log time. Roughness
# is the spectral slope, amplitude is an explicit range in log10 Ne, and the
# recent/ancient asymmetry the fourth sampler encoded in a decaying step size
# is a tilt on the envelope -- three continuous axes spanning everything the
# discrete samplers did, and the corners they missed. Because the curve exists
# before the grid does, the same parameters mean the same history at 64, 96 or
# 128 bins, and the scalars recorded in the metadata reconstruct it exactly at
# any of them.
SPECTRAL_MODE_RANGE = (6, 49)
SPECTRAL_SLOPE_RANGE = (0.6, 2.0)
SPECTRAL_TILT_RANGE = (-1.2, 1.2)
SPECTRAL_LEVEL_RANGE = LEVEL_LOG10_RANGE
# Range in log10 Ne, lognormal on the anchor's own median and spread. The cap
# sits below the width of ``NE_LOG10_BOUNDS`` so the curve never reaches the
# clip: a clipped curve grows a flat plateau, which is a shape the sampler did
# not choose and the model would have to learn as if it had.
SPECTRAL_RANGE_MEDIAN = 1.27
SPECTRAL_RANGE_LOG_SD = 0.36
SPECTRAL_RANGE_CAP = 3.2
# A minority of draws are nearly flat. The lognormal body reaches 0.55 at its
# first percentile and no further, so without this the mixture would have no
# "almost constant but not constant" histories at all -- which is what the
# retired ``near_constant`` sampler supplied, at a range median of 0.04.
# Keeping it as a mixture component rather than a separate recipe leaves the
# amplitude axis unbroken.
SPECTRAL_QUIET_PROBABILITY = 0.08
SPECTRAL_QUIET_RANGE = (0.02, 0.55)
# The stress band. One switch rather than the two stress random-walk samplers
# it replaces, which differed from each other only in roughness -- the same
# axis the spectral slope already spans, at 12 turning points against 23.
SPECTRAL_STRESS_RANGE_CAP = 4.2
SPECTRAL_STRESS_PROBABILITY = 0.035
# Safety valve on the one combination the two independent axes can produce and
# nature does not: fully rough at full amplitude. It binds above the 97th
# percentile, so it shapes the tail without moving the body.
SPECTRAL_TV_CAP = 9.0
# The walk is a band-limited function of continuous log time. Its amplitude,
# total variation and centre are properties of that function rather than of any
# grid, so they are evaluated on a quadrature fine enough that the answer has
# stopped moving: at most 49 modes need about 100 points by Nyquist and this is
# forty times that. It is a convergence budget, not a resolution choice, and
# ``test_spectral_walk`` pins that refining it further changes nothing.
SPECTRAL_QUADRATURE = 4096
# Adaptive bisection needs a floor or a genuine discontinuity would refine for
# ever. Every discontinuity this module produces is passed in as a forced
# breakpoint and lands exactly, so the floor is a numerical guard that the
# samplers never reach, not a limit on how sharp a history may be.
EPOCH_MIN_LOG_WIDTH = 1e-4
# Points probed per candidate segment. The test is whether the curve is flat
# across the segment to tolerance; nine points resolve one mode of the finest
# mode the series carries, and a segment that fails simply splits.
EPOCH_PROBES = 9
def epochs_from_curve(
curve: Callable[[np.ndarray], np.ndarray],
t_lo: float,
t_hi: float,
tol: float,
forced: Sequence[float] = (),
lo: float = 50.0,
hi: float = 2_000_000.0,
) -> tuple[list[float], list[float]]:
"""Piecewise-constant epochs following ``curve`` to within ``tol`` dex.
There is no grid. A flat history costs one epoch and a rough one costs as
many as its roughness needs, so the cost of representing a history is set by
the history rather than by a bin count chosen in advance. ``forced`` are
times that must be breakpoints -- the exact edges of a box-shaped event --
which is what lets an event start when it starts instead of when the nearest
grid line allows.
Returns msprime's ``(breaks, values)``: ``values[0]`` holds from the present
to ``breaks[0]``, and ``len(values) == len(breaks) + 1``.
"""
if not np.isfinite(tol) or tol <= 0.0:
raise ValueError("tol must be a positive number of log10 Ne units")
log_lo, log_hi = float(np.log(t_lo)), float(np.log(t_hi))
bounds = {log_lo, log_hi}
for t in forced:
value = float(t)
if t_lo < value < t_hi:
bounds.add(float(np.log(value)))
ordered = sorted(bounds)
accepted: list[tuple[float, float, float, float]] = []
pending = [(ordered[i], ordered[i + 1]) for i in range(len(ordered) - 1)]
while pending:
left, right = pending.pop()
probe = np.linspace(left, right, EPOCH_PROBES)
sampled = np.asarray(curve(np.exp(probe)), dtype=np.float64)
low, high = float(sampled.min()), float(sampled.max())
if high - low <= tol or right - left <= EPOCH_MIN_LOG_WIDTH:
accepted.append((left, right, low, high))
else:
middle = 0.5 * (left + right)
pending.append((left, middle))
pending.append((middle, right))
accepted.sort()
# Splitting is driven by the roughest part of a segment, so a curve that is
# flat either side of one feature is left carrying epochs it does not need.
# Neighbours merge whenever the extremes already measured across both stay
# inside the tolerance, which no real jump ever does. A forced breakpoint
# is kept only where the curve actually moves across it.
merged: list[tuple[float, float, float, float]] = []
for left, right, low, high in accepted:
if merged:
prev_left, _, prev_low, prev_high = merged[-1]
union_low, union_high = min(prev_low, low), max(prev_high, high)
if union_high - union_low <= tol:
merged[-1] = (prev_left, right, union_low, union_high)
continue
merged.append((left, right, low, high))
starts = np.exp([left for left, _, _, _ in merged])
centres = np.exp([0.5 * (left + right) for left, right, _, _ in merged])
levels = np.asarray(curve(centres), dtype=np.float64)
values = [float(np.clip(10.0 ** float(v), lo, hi)) for v in levels]
breaks = [float(t) for t in starts[1:]]
return breaks, values
def spectral_walk_evaluator(
seed: int,
slope: float,
n_modes: int,
tilt: float,
ne_range: float,
level: float,
t_lo: float = 50.0,
t_hi: float = 500_000.0,
) -> Callable[[np.ndarray], np.ndarray]:
"""Prepare one spectral walk for repeated evaluation.
Normalisation is a property of the whole function, so it is measured once on
the converged quadrature and then applied pointwise. Adaptive bisection
asks for the curve a few thousand times per history; measuring it again on
every call would make that the dominant cost of generating a row.
"""
log_lo, log_hi = float(np.log(t_lo)), float(np.log(t_hi))
span = log_hi - log_lo
coeff_rng = np.random.default_rng(int(seed))
modes = np.arange(1, int(n_modes) + 1, dtype=np.float64)[:, None]
cos_c = coeff_rng.normal(size=int(n_modes))[:, None]
sin_c = coeff_rng.normal(size=int(n_modes))[:, None]
weights = modes ** -float(slope)
def series(u: np.ndarray) -> np.ndarray:
phase = modes * np.pi * np.atleast_1d(u)[None, :]
return (weights * (cos_c * np.cos(phase) + sin_c * np.sin(phase))).sum(0)
u_quad = (np.arange(SPECTRAL_QUADRATURE, dtype=np.float64) + 0.5) / SPECTRAL_QUADRATURE
raw_quad = series(u_quad)
baseline = float(raw_quad.mean())
# Tilt before scaling: the envelope decides how the variation is split
# between recent and ancient time, the scaling decides how much there is.
quad = (raw_quad - baseline) * np.exp(float(tilt) * (u_quad - 0.5))
scale = float(ne_range) / max(float(quad.max() - quad.min()), 1e-12)
quad = quad * scale
total_variation = float(np.abs(np.diff(quad)).sum())
if total_variation > SPECTRAL_TV_CAP:
shrink = SPECTRAL_TV_CAP / total_variation
scale *= shrink
quad = quad * shrink
# Centre on the midrange rather than the mean so the level below is the
# midpoint of the realised curve and the bounds check is exact.
offset = float(level) - 0.5 * float(quad.max() + quad.min())
def evaluate(times: np.ndarray) -> np.ndarray:
clipped = np.clip(np.asarray(times, dtype=np.float64), t_lo, t_hi)
u = (np.log(clipped) - log_lo) / span
return (series(u) - baseline) * np.exp(float(tilt) * (u - 0.5)) * scale + offset
return evaluate
def spectral_walk_curve(
times: np.ndarray,
seed: int,
slope: float,
n_modes: int,
tilt: float,
ne_range: float,
level: float,
t_lo: float = 50.0,
t_hi: float = 500_000.0,
) -> np.ndarray:
"""log10 Ne of one spectral walk, at arbitrary times.
Separate from the sampler because these arguments are exactly what the
metadata stores: a row can be replayed at any time points, and onto any
label grid through :func:`bin_average_log10_ne`, without the dataset that
produced it. Nothing here depends on a grid, so the same parameters mean
the same history whatever the label resolution turns out to be.
"""
return spectral_walk_evaluator(
seed, slope, n_modes, tilt, ne_range, level, t_lo, t_hi
)(times)
def spectral_walk_level(
rng: np.random.Generator, ne_range: float, stress: bool = False
) -> float:
"""Draw a level that keeps the whole curve inside ``NE_LOG10_BOUNDS``.
Moving the level is the alternative to clipping the curve. At the widest
ranges the bounds leave no freedom at all and the level is forced to the
middle, which is the honest answer: a history spanning 3.2 decades inside a
4.0-decade window has nowhere else to sit.
"""
bounds = NE_LOG10_STRESS_BOUNDS if stress else NE_LOG10_BOUNDS
half = 0.5 * float(ne_range)
low, high = bounds[0] + half, bounds[1] - half
drawn = float(rng.uniform(*SPECTRAL_LEVEL_RANGE))
if low > high:
return 0.5 * (bounds[0] + bounds[1])
return float(np.clip(drawn, low, high))
def _spectral_walk(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
seed = int(rng.integers(0, 2**62))
n_modes = int(rng.integers(*SPECTRAL_MODE_RANGE))
slope = float(rng.uniform(*SPECTRAL_SLOPE_RANGE))
tilt = float(rng.uniform(*SPECTRAL_TILT_RANGE))
stress = bool(rng.random() < SPECTRAL_STRESS_PROBABILITY)
cap = SPECTRAL_STRESS_RANGE_CAP if stress else SPECTRAL_RANGE_CAP
if rng.random() < SPECTRAL_QUIET_PROBABILITY:
ne_range = float(loguniform(rng, *SPECTRAL_QUIET_RANGE))
else:
ne_range = float(
min(SPECTRAL_RANGE_MEDIAN * np.exp(rng.normal(0.0, SPECTRAL_RANGE_LOG_SD)), cap)
)
level = spectral_walk_level(rng, ne_range, stress=stress)
t_lo, t_hi = float(edges[0]), float(edges[-1])
curve = spectral_walk_evaluator(
seed, slope, n_modes, tilt, ne_range, level, t_lo, t_hi
)
breaks, values = epochs_from_curve(curve, t_lo, t_hi, cfg.demography_resolution_log10)
return breaks, values, {
"spectral_seed": int(seed),
"spectral_n_modes": int(n_modes),
"spectral_slope": float(slope),
"spectral_tilt": float(tilt),
"spectral_ne_range": float(ne_range),
"spectral_level": float(level),
"stress_scenario": bool(stress),
"curve_demography": True,
"knot_count": int(len(values)),
"has_recent_event": False,
"has_ancient_event": False,
}
# The Zigzag_1S14 character rather than its arithmetic: alternations spaced
# about fourfold apart, each about a decade deep. The version this replaces
# perturbed the published array of six breakpoints, so the cycle count never
# moved -- measured on the label, the turning points came out 3/4/5 on every
# draw. Building the ladder from a free number of half cycles keeps the
# character and frees the count.
LITERATURE_SAWTOOTH_HALF_CYCLES = (4, 13)
LITERATURE_SAWTOOTH_ONSET = (20.0, 3_000.0)
LITERATURE_SAWTOOTH_STEP_RATIO = 4.0 # the published spacing
LITERATURE_SAWTOOTH_STEP_JITTER = 0.40 # log-normal sigma, per step
LITERATURE_SAWTOOTH_SWING_DECADES = 1.0 # the published half-cycle depth
LITERATURE_SAWTOOTH_SWING_JITTER = 0.32 # log-normal sigma, per half cycle
LITERATURE_SAWTOOTH_CONTRAST = (0.45, 1.9)
def _literature_sawtooth(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
"""The Zigzag_1S14 character, redrawn.
``sawtooth`` draws a free zigzag and covers a wide shape space; this draws
the published one and covers its neighbourhood. Those are different jobs,
and folding the second into the first was a mistake: measured over six
thousand free draws the closest came to 0.199 RMSE of the published shape
while two ordinary draws sit 0.31 apart, so the literature shape lived in
the prior's tail. Widening the free sawtooth made it worse rather than
better -- more axes buy coverage at the cost of density anywhere in
particular -- which is the argument for a second recipe rather than a wider
first one.
What is preserved is the character: a run of fast alternations, spaced
about fourfold apart in time, each about a decade deep, ancient ones slower
than recent ones. Everything else is drawn -- how many cycles, where they
start, and every individual spacing and depth.
Freeing the cycle count costs density on the published curve itself, and
there is no setting that recovers it: with the count free, only about one
draw in nine has the six breakpoints that curve has, so no amount of
tightening the jitter brings the hit rate back. That is the right trade
anyway. ``canonical_zigzag_1s14`` already puts six hundred rows of the
exact curve in front of the model; what this recipe is for is the shape
class around it, and a classifier separates it from a free sawtooth at
0.820 against a 0.500 chance rate, so the class is a real one.
"""
t_max = float(edges[-1])
n_half = int(rng.integers(*LITERATURE_SAWTOOTH_HALF_CYCLES))
onset = float(
loguniform(rng, max(LITERATURE_SAWTOOTH_ONSET[0], cfg.min_time), LITERATURE_SAWTOOTH_ONSET[1])
)
steps = np.log(LITERATURE_SAWTOOTH_STEP_RATIO) + rng.normal(
0.0, LITERATURE_SAWTOOTH_STEP_JITTER, size=n_half
)
ladder = np.log(onset) + np.concatenate(([0.0], np.cumsum(np.abs(steps))))
breaks = np.unique(
np.clip(np.exp(ladder), max(float(cfg.min_time), 1.0), t_max * 0.9)
).astype(np.float64)
if breaks.size < 2:
breaks = np.asarray([onset, min(onset * 4.0, t_max * 0.9)], dtype=np.float64)
contrast = float(rng.uniform(*LITERATURE_SAWTOOTH_CONTRAST))
swings = LITERATURE_SAWTOOTH_SWING_DECADES * contrast * np.exp(
rng.normal(0.0, LITERATURE_SAWTOOTH_SWING_JITTER, size=breaks.size)
)
# Alternate, starting either way.
signs = np.where(np.arange(breaks.size) % 2 == 0, 1.0, -1.0)
if rng.random() < 0.5:
signs = -signs
level = float(np.log10(loguniform(rng, *LEVEL_NE_RANGE)))
log_profile = np.clip(level + signs * swings * 0.5, *NE_LOG10_BOUNDS)
boundary_values = [float(10.0**value) for value in log_profile]
present_ne = float(
np.clip(10.0 ** (level - signs[0] * swings[0] * 0.5), *NE_BOUNDS)
)
values = [present_ne, *boundary_values]
growth_rates = [0.0]
for left_t, right_t, left_ne, right_ne in zip(
breaks[:-1], breaks[1:], boundary_values[:-1], boundary_values[1:]
):
growth_rates.append(float(np.log(left_ne / right_ne) / (right_t - left_t)))
growth_rates.append(0.0)
return breaks.tolist(), values, {
"literature_shaped_family": True,
"source_literature_model_id": "Zigzag_1S14",
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"sawtooth_half_cycles": int(breaks.size),
"sawtooth_onset": float(onset),
"sawtooth_log_ne_contrast": float(contrast),
"zigzag_rate_change_count": int(breaks.size),
"knot_count": int(len(values)),
"has_recent_event": bool(breaks[0] <= 5_000.0),
"has_ancient_event": bool(breaks[-1] >= 50_000.0),
}
# ---------------------------------------------------------------------------
# An event on a moving background
# ---------------------------------------------------------------------------
#
# The one hole left in the mixture, and it is a hole in the joint rather than
# in any margin. Measured across the other eleven recipes, 28.4% of rows carry
# a sharp event -- a single step of more than half a decade -- and 41.0% carry
# a background that is genuinely moving, six or more turns after that step is
# removed. Only 2.7% carry both, against the 11.6% independence would give.
# Every recipe is one or the other by construction: ``bottleneck`` and
# ``size_event`` leave a background with a median of one turn, and
# ``spectral_walk`` and the templates leave a largest step of 0.14 to 0.19.
#
# Nature does not separate them. A population does not sit at a constant size
# waiting for a bottleneck; it drifts, and then something happens. This is
# also the row a shortcut fails on from either side: a model that has learned
# to predict the level misses the event, and one that has learned to find the
# single event misses the background.
EVENT_BACKGROUND_RANGE = (0.30, 1.60)
EVENT_BACKGROUND_EVENTS = (1, 3)
EVENT_BACKGROUND_ONSET = (50.0, 0.6) # absolute floor, fraction of the grid
EVENT_BACKGROUND_DURATION_RATIO = (0.05, 8.0)
EVENT_BACKGROUND_DEPTH = (0.4, 2.5) # decades, sign drawn
def _event_on_background(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
t_lo, t_hi = float(edges[0]), float(edges[-1])
seed = int(rng.integers(0, 2**62))
n_modes = int(rng.integers(*SPECTRAL_MODE_RANGE))
slope = float(rng.uniform(*SPECTRAL_SLOPE_RANGE))
tilt = float(rng.uniform(*SPECTRAL_TILT_RANGE))
# A quieter background than ``spectral_walk`` draws, so the event stays
# legible on top of it rather than being one wiggle among many.
background = float(loguniform(rng, *EVENT_BACKGROUND_RANGE))
level = spectral_walk_level(rng, background)
spans: list[tuple[float, float, float]] = []
depths: list[float] = []
times: list[float] = []
for _ in range(int(rng.integers(*EVENT_BACKGROUND_EVENTS))):
start = float(
loguniform(rng, EVENT_BACKGROUND_ONSET[0], t_hi * EVENT_BACKGROUND_ONSET[1])
)
end = start * (1.0 + float(loguniform(rng, *EVENT_BACKGROUND_DURATION_RATIO)))
sign = 1.0 if rng.random() < 0.5 else -1.0
depth = sign * float(loguniform(rng, *EVENT_BACKGROUND_DEPTH))
spans.append((start, end, depth))
depths.append(float(depth))
times.append(float(start))
smooth = spectral_walk_evaluator(
seed, slope, n_modes, tilt, background, level, t_lo, t_hi
)
def curve(t: np.ndarray) -> np.ndarray:
t = np.atleast_1d(np.asarray(t, dtype=np.float64))
value = smooth(t)
for start, end, depth in spans:
value = value + np.where((t >= start) & (t < end), depth, 0.0)
return np.clip(value, *NE_LOG10_BOUNDS)
# The event edges are the discontinuities, so they are the breakpoints. An
# event starts when it starts: no grid line rounds its onset, and one
# shorter than any bin is no longer a special case needing rescue.
forced = [bound for start, end, _ in spans for bound in (start, end)]
breaks, values = epochs_from_curve(
curve, t_lo, t_hi, cfg.demography_resolution_log10, forced=forced
)
return breaks, values, {
"spectral_seed": int(seed),
"spectral_n_modes": int(n_modes),
"spectral_slope": float(slope),
"spectral_tilt": float(tilt),
"spectral_ne_range": float(background),
"spectral_level": float(level),
"event_count": int(len(depths)),
"event_time": float(min(times)),
"event_log_depths": depths,
"event_permanent": False,
"curve_demography": True,
"knot_count": int(len(values)),
"has_recent_event": bool(min(times) <= 5_000.0),
"has_ancient_event": bool(max(times) >= 50_000.0),
}
# ---------------------------------------------------------------------------
# Bottlenecks
# ---------------------------------------------------------------------------
#
# ``size_event`` already spans this: a bottleneck is a negative depth with a
# finite duration recovering near where it started. But spanning a shape and
# training on it are different things. Measured over four thousand draws, only
# 12.8% of ``size_event`` rows are a drop of half a decade or more that ends
# and comes back -- 2.05% of the whole mixture -- and 0.64% are a drop of more
# than a decade and a half that does. The bottleneck is the most studied event
# in the field and the one a method is most often asked about, and it was
# getting one row in fifty.
#
# This draws from the same space as ``size_event``, tilted onto that corner.
# The overlap is deliberate; the alternative is a broader prior, which by
# construction puts less density everywhere rather than more density here.
BOTTLENECK_ONSET = (50.0, 0.5) # absolute floor, fraction of the grid
BOTTLENECK_DURATION_RATIO = (0.02, 3.0) # of the onset time
BOTTLENECK_DEPTH_DECADES = (0.4, 3.0)
BOTTLENECK_RECOVERY_LOG = 0.6 # how far the recovery may miss by
def _bottleneck(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
t_max = float(edges[-1])
present = loguniform(rng, *LEVEL_NE_RANGE)
start = float(loguniform(rng, BOTTLENECK_ONSET[0], t_max * BOTTLENECK_ONSET[1]))
duration = start * float(loguniform(rng, *BOTTLENECK_DURATION_RATIO))
end = float(min(start + duration, t_max * 0.92))
if end <= start * 1.02:
end = min(start * 1.02, t_max * 0.92)
depth = float(loguniform(rng, *BOTTLENECK_DEPTH_DECADES))
bottom = float(np.clip(present * 10.0**-depth, *NE_BOUNDS))
# The ancient size sits near the present one: that is what makes it a
# bottleneck rather than a step change, and it is the axis the retired
# recipes pinned -- one to within a factor of two, another far above.
ancient = float(
np.clip(
present * 10.0 ** rng.uniform(-BOTTLENECK_RECOVERY_LOG, BOTTLENECK_RECOVERY_LOG),
*NE_BOUNDS,
)
)
return [start, end], [present, bottom, ancient], {
"event_count": 1,
"event_time": float(start),
"event_duration": float(end - start),
"event_log_depths": [float(np.log10(bottom / present))],
"event_permanent": False,
"bottleneck_recovery_log10": float(np.log10(ancient / present)),
"has_recent_event": bool(start <= 5_000.0),
"has_ancient_event": bool(end >= 50_000.0),
}
# Zigzag_1S14, written out by hand from Schiffels & Durbin (2014). The mixture
# carried three encodings of this one history: this table, the scrm command from
# the SMC++ paper, and the frozen stdpopsim catalogue -- which this table is
# bit-identical to, and which the scrm command differs from by 5.4e-4 at most on
# the 64-bin label, not one bin of it above the 0.0019 noise floor. Three
# encodings of one history is the same defect as ``zigzag`` aliasing
# ``zigzag_strong``, one level up.
#
# One survives as a recipe, and it is this one: it is the id the SMC literature
# reports against, so a tight error bar on it is what makes our numbers
# comparable to published ones, and that needs more replicates than a share of
# the catalogue's weight buys. The catalogue draw excludes it in return, so
# exactly one code path produces this history.
def _canonical_zigzag_1s14(
rng: np.random.Generator,
cfg: Config,
edges: np.ndarray,
mids: np.ndarray,
) -> SamplerResult:
# Exact stdpopsim Zigzag_1S14 port of the validation model introduced by
# Schiffels & Durbin (2014), doi:10.1038/ng.3015. The fixed parameters are
# intentionally independent of the output label grid and random seed.
n0 = 5.0 * 14_312.0
breaks = [
33.333334976,
133.3334544,
533.33324512,
2_133.3352704,
8_533.329632,
34_133.318528,
]
growth_rates = [
0.0,
0.02302578256,
-0.0057564631,
0.00143911578,
-0.0003597785,
8.9944801565e-5,
0.0,
]
values = _boundary_values(n0, breaks, growth_rates)
# The catalog model explicitly resets the ancient population size. The
# rounded published rates otherwise differ by about 0.0006%.
values[-1] = n0 / 10.0
return breaks, values, {
"classic_demography_model": True,
"literature_demography_anchor": True,
"literature_model_id": "Zigzag_1S14",
"literature_reference": "Schiffels_and_Durbin_2014",
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"dense_type": "canonical_zigzag_1s14",
"knot_count": int(len(values)),
"sawtooth_cycles": 2.5,
"sawtooth_exponential_segment_count": 5,
"sawtooth_internal_extrema_count": 4,
"sawtooth_randomized": False,
"has_recent_event": True,
"has_ancient_event": False,
}
# Not a sampler. The scrm command from the SMC++ Online Methods is the same
# model as the table above, published twice: identical growth rates in all six
# epochs, one breakpoint apart by 0.03%, and sizes differing only by where the
# rounding accumulates. It is kept because a second independent statement of
# the published values is what makes the first one checkable.
def _canonical_smcpp_sawtooth(
rng: np.random.Generator,
cfg: Config,
edges: np.ndarray,
mids: np.ndarray,
) -> SamplerResult:
# Exact scrm command from Terhorst, Kamm & Song (2017) Online Methods,
# doi:10.1038/ng.3748. This differs slightly from Zigzag_1S14 and is kept
# as a separate provenance-preserving benchmark anchor.
nref = 14_312.0
breaks = [
33.333334976,
133.3334544,
533.50498912,
2_133.3352704,
8_533.329632,
34_133.318528,
]
values = [
5.0 * nref,
5.0 * nref,
0.500002043581 * nref,
5.00496081234 * nref,
0.500618264601 * nref,
5.0061592508 * nref,
0.500615510407 * nref,
]
scrm_scaled_growth_rates = [1_318.18, -329.546, 82.3865, -20.5966, 5.14916]
growth_rates = [
0.0,
*(float(rate / (4.0 * nref)) for rate in scrm_scaled_growth_rates),
0.0,
]
return breaks, values, {
"classic_demography_model": True,
"literature_demography_anchor": True,
"literature_model_id": "Terhorst2017_sawtooth",
"literature_reference": "Terhorst_Kamm_and_Song_2017",
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"dense_type": "canonical_smcpp_sawtooth",
"knot_count": int(len(values)),
"sawtooth_cycles": 2.5,
"sawtooth_exponential_segment_count": 5,
"sawtooth_internal_extrema_count": 4,
"sawtooth_randomized": False,
"has_recent_event": True,
"has_ancient_event": False,
}
def _template_curve(template, time_scale: float) -> Callable[[np.ndarray], np.ndarray]:
"""Continuous log10 Ne of an inferred template, log-linear between knots."""
log_t = np.log(np.maximum(np.asarray(template.generations_ago, dtype=np.float64), 1e-6))
log_ne = np.log10(np.asarray(template.ne, dtype=np.float64))
scale = max(float(time_scale), 1e-6)
def curve(t: np.ndarray) -> np.ndarray:
warped = np.maximum(np.asarray(t, dtype=np.float64) / scale, 1e-6)
return np.interp(np.log(warped), log_t, log_ne, left=log_ne[0], right=log_ne[-1])
return curve
def _empirical_human_ne_template(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
store = load_empirical_ne_templates(cfg)
template = store.choose(rng, cfg)
t_lo, t_hi = float(edges[0]), float(edges[-1])
time_scale = float(np.exp(rng.normal(0.0, cfg.empirical_ne_template_time_warp_sd)))
time_scale = float(np.clip(time_scale, 0.45, 2.25))
log_shift = float(rng.normal(0.0, cfg.empirical_ne_template_log10_shift_sd))
contrast = float(np.exp(rng.normal(0.0, cfg.empirical_ne_template_contrast_sd)))
contrast = float(np.clip(contrast, 0.70, 1.45))
bin_noise_sd = float(cfg.empirical_ne_template_bin_noise_sd)
base = _template_curve(template, time_scale)
# The perturbation rides on the template's own knots, so how rough the
# published inference is decides how rough the perturbation can be. Drawing
# it per label bin instead would have made the noise, and with it the
# history, a function of the label resolution.
knots = np.unique(
np.clip(np.asarray(template.generations_ago, dtype=np.float64) * time_scale, t_lo, t_hi)
)
if bin_noise_sd > 0 and knots.size:
drawn = rng.normal(0.0, bin_noise_sd, size=knots.size)
wobble = _smoothed_array(drawn, int(rng.integers(2, 5)))
else:
wobble = np.zeros(knots.size, dtype=np.float64)
log_knots = np.log(np.maximum(knots, 1e-6))
centre = float(np.median(base(np.geomspace(t_lo, t_hi, 256))))
def curve(t: np.ndarray) -> np.ndarray:
t = np.atleast_1d(np.asarray(t, dtype=np.float64))
value = centre + contrast * (base(t) - centre) + log_shift
if wobble.size:
value = value + np.interp(np.log(np.maximum(t, 1e-6)), log_knots, wobble)
return np.clip(value, NE_LOG10_BOUNDS[0], NE_LOG10_BOUNDS[1])
breaks, values = epochs_from_curve(
curve,
t_lo,
t_hi,
cfg.demography_resolution_log10,
forced=knots,
lo=100.0,
hi=2_000_000.0,
)
recent = curve(np.geomspace(t_lo, 5_000.0, 64))
ancient = curve(np.geomspace(50_000.0, t_hi, 64))
return breaks, values, {
"empirical_ne_template": True,
"target_quality": "empirical_inference_template_perturbed",
"template_source_key": template.source_key,
"template_method": template.method,
"template_population": template.population,
"template_path": template.path,
"template_time_unit": template.time_unit_note,
"template_generation_time_years": 29.0,
"template_curve_point_count": int(template.ne.size),
"template_time_min": float(np.min(template.generations_ago)),
"template_time_max": float(np.max(template.generations_ago)),
"template_min_Ne": float(np.min(template.ne)),
"template_max_Ne": float(np.max(template.ne)),
"template_time_scale": time_scale,
"template_log10_shift": log_shift,
"template_contrast_scale": contrast,
"template_bin_noise_sd": bin_noise_sd,
"dense_demography": True,
"dense_type": "empirical_human_ne_template",
"knot_count": int(len(values)),
"has_recent_event": bool(np.ptp(recent) >= 0.15),
"has_ancient_event": bool(np.ptp(ancient) >= 0.15),
}
# ---------------------------------------------------------------------------
# Events
# ---------------------------------------------------------------------------
#
# One sampler in place of eight. ``recent_bottleneck``, ``single_bottleneck``,
# ``recent_founder_recovery``, ``recent_bottleneck_extreme``,
# ``founder_recovery_extreme``, ``expansion``, ``contraction`` and
# ``ancient_event`` all describe the same object -- a size change at some time,
# lasting some while, of some depth, after which the population settles at some
# level -- and differed only in which corner of that four-dimensional space
# they were pinned to. Measured pairwise on the 64-bin label they were barely
# separable: 0.619 for the first two against a 0.500 chance rate, and 0.667 to
# 0.786 across the rest, on 14.4% of all rows.
#
# The axis that had been hardest hidden is the last one. ``recent_bottleneck``
# fixed the post-event level at 0.5 to 2 times the pre-event level, so the
# population always came back to roughly where it started; ``founder_recovery``
# fixed it far above; ``expansion`` and ``contraction`` never came back at all,
# by giving the event no end. All three are one continuous parameter, and a
# duration that runs past the end of the grid turns the event into a step
# change without needing a separate sampler for it.
#
# Two of the four measured defects in the retired samplers are also fixed here.
# ``event_severity`` now records what the trajectory actually does rather than
# what was drawn: the old code wrote the drawn value while clipping the
# realised size at a floor, which on ``recent_bottleneck_extreme`` misreported
# 37% of rows -- a declared median depth of 0.0032 arriving in the label as
# 0.0076. And the field means the same thing in every recipe now; it used to
# mean bottleneck-over-present in three samplers, founder-over-ancient in a
# fourth and founder-over-present in a fifth.
SIZE_EVENT_TIME = (50.0, 0.6) # absolute floor, fraction of the grid
SIZE_EVENT_DURATION_RATIO = (0.05, 30.0)
SIZE_EVENT_LOG_DEPTH = (0.15, 3.0) # magnitude in log10 Ne; the sign is drawn
SIZE_EVENT_LOG_ASYMMETRY = 1.0 # post-event level, log10, either way
SIZE_EVENT_PRESENT_NE = LEVEL_NE_RANGE
def _event_epochs(
rng: np.random.Generator,
edges: np.ndarray,
n_events: int,
) -> tuple[list[float], list[float], dict]:
"""Lay out ``n_events`` size changes on the log-time axis.
Times are drawn on a log scale and sorted, because the target grid is
logarithmic: drawn uniformly, almost every event would land in the ancient
half where a single bin is tens of thousands of generations wide.
"""
t_max = float(edges[-1])
present = loguniform(rng, *SIZE_EVENT_PRESENT_NE)
times = np.sort(
np.array(
[
loguniform(rng, SIZE_EVENT_TIME[0], t_max * SIZE_EVENT_TIME[1])
for _ in range(n_events)
]
)
)
breaks: list[float] = []
values: list[float] = [present]
depths: list[float] = []
durations: list[float] = []
level = float(present)
last = 0.0
for start in times:
start = float(max(start, last * 1.05, SIZE_EVENT_TIME[0]))
if start >= t_max * 0.95:
break
sign = 1.0 if rng.random() < 0.5 else -1.0
depth = sign * float(loguniform(rng, *SIZE_EVENT_LOG_DEPTH))
asymmetry = float(rng.uniform(-SIZE_EVENT_LOG_ASYMMETRY, SIZE_EVENT_LOG_ASYMMETRY))
duration = start * float(loguniform(rng, *SIZE_EVENT_DURATION_RATIO))
end = start + duration
event_level = float(np.clip(level * 10.0**depth, *NE_BOUNDS))
breaks.append(start)
values.append(event_level)
depths.append(float(np.log10(event_level / level)))
last = start
if end >= t_max * 0.95:
# The event never ends inside the observable window, which is what
# a permanent size change is. Recording it this way rather than as
# a separate recipe keeps the duration axis unbroken.
durations.append(float("inf"))
level = event_level
break
settled = float(np.clip(level * 10.0**asymmetry, *NE_BOUNDS))
breaks.append(float(max(end, start * 1.05)))
values.append(settled)
durations.append(float(end - start))
level = settled
last = float(max(end, start * 1.05))
realised = [
float(np.log10(values[index + 1] / values[index]))
for index in range(len(values) - 1)
]
meta = {
"event_count": int(len(depths)),
"event_time": float(breaks[0]) if breaks else 0.0,
"event_duration": float(durations[0]) if durations and np.isfinite(durations[0]) else 0.0,
"event_log_depths": [float(x) for x in depths],
"event_permanent": bool(durations and not np.isfinite(durations[-1])),
"has_recent_event": bool(breaks and breaks[0] <= 5_000.0),
"has_ancient_event": bool(breaks and breaks[-1] >= 50_000.0),
}
return breaks, values, meta
def _size_event(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
breaks, values, meta = _event_epochs(rng, edges, 1)
return breaks, values, {**meta, "event_family": "single"}
def _multi_event(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
"""Two to four events, each with its own independent sign.
This replaces ``three_epoch``, ``ancient_recent_compound``,
``ancient_recent_conflict``, ``serial_founder`` and
``serial_founder_extreme``. The conflict case -- a recent and an ancient
event pulling opposite ways, which had its own sampler at 0.3% -- is what
independent signs produce on their own about half the time, and the serial
founder is what a run of same-signed events with finite durations is.
"""
n_events = int(rng.integers(2, 5))
breaks, values, meta = _event_epochs(rng, edges, n_events)
return breaks, values, {**meta, "event_family": "multiple"}
# ---------------------------------------------------------------------------
# Exponential
# ---------------------------------------------------------------------------
#
# ``continuous_exponential_growth``, ``continuous_exponential_decline`` and
# ``rapid_recent_growth_extreme`` are one sampler with a signed rate. What is
# worth keeping is not the three names but the mechanism: this is the only
# family that uses msprime's own ``growth_rate``, so the trajectory is
# genuinely exponential in linear time rather than a staircase approximating
# one. That is a real difference in ``demography_function``, not a redundancy,
# and the bin-averaged label is different from any piecewise-constant history.
EXPONENTIAL_ONSET = (100.0, 100_000.0)
EXPONENTIAL_LOG_FACTOR = (0.3, 2.2)
EXPONENTIAL_OLDER_NE = LEVEL_NE_RANGE
def _exponential(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
t_max = float(edges[-1])
start = float(min(loguniform(rng, *EXPONENTIAL_ONSET), t_max * 0.8))
older = loguniform(rng, *EXPONENTIAL_OLDER_NE)
sign = 1.0 if rng.random() < 0.5 else -1.0
log_factor = sign * float(loguniform(rng, *EXPONENTIAL_LOG_FACTOR))
present = float(np.clip(older * 10.0**log_factor, *NE_BOUNDS))
breaks, values, growth_rates = _native_exponential_transition(present, older, start)
return breaks, values, {
"demography_function": "exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"event_time": float(start),
"exponential_log10_factor": float(np.log10(present / older)),
"exponential_direction": "growth" if present > older else "decline",
"has_recent_event": bool(start <= 5_000.0),
"has_ancient_event": bool(start >= 50_000.0),
}
# ---------------------------------------------------------------------------
# Sawtooth
# ---------------------------------------------------------------------------
#
# ``oscillating_mild``, ``zigzag_strong`` and ``zigzag`` were one function with
# a boolean. ``zigzag`` was worse than that: ``_zigzag_legacy`` returned
# ``_oscillating(..., strong=True)`` unchanged, so it was bit-identical to
# ``zigzag_strong`` on all 200 seeds tested, and a classifier separating the
# two scored 0.283 -- below the 0.500 chance rate, which is what happens when a
# model memorises a curve in training and meets the same curve labelled the
# other way in test.
#
# The boolean is now a continuous strength, so the mixture fills the range
# between mild and strong instead of sitting on its two ends.
SAWTOOTH_TURNS = (4, 19)
SAWTOOTH_MILD_FACTOR = (1.2, 2.5)
# The ceiling reaches past a tenfold swing rather than stopping just short of
# it. Zigzag_1S14 alternates by exactly a decade every half cycle, so with a
# ceiling of eight that shape sat at the very edge of the prior.
SAWTOOTH_STRONG_FACTOR = (2.5, 16.0)
# Where the oscillation lives. The version this replaces laid its turning
# points on a geomspace from a hundred generations to eight tenths of the grid,
# every single time: measured over two thousand draws the first turn fell
# between 86 and 117 generations and the last between 341,000 and 450,000, so
# every sawtooth spanned the same three and a half decades and only the number
# of turns inside it varied. A real population that oscillated for a while and
# then settled, or that has only been oscillating recently, was not in the
# support at all.
SAWTOOTH_ONSET = (50.0, 0.03) # absolute floor, fraction of the grid
SAWTOOTH_EXTENT = (15.0, 12_000.0) # end over start; Zigzag_1S14 spans 1,024x
# How evenly the turns are spaced. Gap lengths in log time come from a
# Dirichlet whose concentration this sets: high concentration is the periodic
# sawtooth the literature models are, low concentration is irregular. The old
# spacing was a fixed 12% lognormal jitter on a geometric ladder, which measured
# a coefficient of variation of 0.19 and could not reach either end.
SAWTOOTH_REGULARITY_CONCENTRATION = (1.0, 60.0)
# How alike the swings are. Regularity above governs *when* the turns happen;
# this governs whether they are all the same size. The published sawtooths are
# uniform in both -- and needing regular gaps and uniform swings and near-peak
# strength and no drift all at once made the literature shape a one-in-a-
# thousand draw: over six thousand samples the closest came to 0.199 RMSE of
# it, against 0.312 between two ordinary draws. A prior that reaches a shape
# only in its tail has not trained on that shape.
SAWTOOTH_SWING_UNIFORMITY = (0.0, 1.0)
# A log-linear trend across the swings, so the oscillation can grow or decay
# through time instead of holding one amplitude for the whole history.
SAWTOOTH_AMPLITUDE_DRIFT = 1.6
def _sawtooth(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
t_max = float(edges[-1])
strength = float(rng.uniform(0.0, 1.0))
factor_lo = SAWTOOTH_MILD_FACTOR[0] + strength * (SAWTOOTH_STRONG_FACTOR[0] - SAWTOOTH_MILD_FACTOR[0])
factor_hi = SAWTOOTH_MILD_FACTOR[1] + strength * (SAWTOOTH_STRONG_FACTOR[1] - SAWTOOTH_MILD_FACTOR[1])
n_turns = int(rng.integers(*SAWTOOTH_TURNS))
onset = float(
loguniform(rng, max(SAWTOOTH_ONSET[0], cfg.min_time), t_max * SAWTOOTH_ONSET[1])
)
end = float(min(onset * loguniform(rng, *SAWTOOTH_EXTENT), t_max * 0.9))
if end <= onset * 1.5:
end = min(onset * 1.5, t_max * 0.9)
# Gap lengths in log time from a Dirichlet: one concentration parameter
# takes the ladder from irregular to periodic without changing anything
# else about the curve.
concentration = float(loguniform(rng, *SAWTOOTH_REGULARITY_CONCENTRATION))
uniformity = float(rng.uniform(*SAWTOOTH_SWING_UNIFORMITY))
gaps = rng.dirichlet(np.full(max(n_turns - 1, 1), concentration))
ladder = np.log(onset) + np.concatenate(([0.0], np.cumsum(gaps))) * (
np.log(end) - np.log(onset)
)
breaks = np.unique(np.exp(ladder)).astype(np.float64).tolist()
present_ne = loguniform(rng, *LEVEL_NE_RANGE)
boundary_values = [present_ne]
direction = 1 if rng.random() < 0.5 else -1
# Grow or decay the swings across the history rather than holding one
# amplitude throughout.
drift = float(rng.uniform(-SAWTOOTH_AMPLITUDE_DRIFT, SAWTOOTH_AMPLITUDE_DRIFT))
# Draw every swing first, then pull them toward their common mean by the
# uniformity: at one the curve alternates by a single size throughout, as
# the published models do, and at zero each swing is independent.
drawn = np.array(
[loguniform(rng, factor_lo, factor_hi) for _ in range(max(len(breaks) - 1, 1))]
)
log_drawn = np.log(drawn)
log_swings = (1.0 - uniformity) * log_drawn + uniformity * log_drawn.mean()
for index in range(1, len(breaks)):
position = index / max(len(breaks) - 1, 1)
factor = float(
np.exp(log_swings[index - 1] * np.exp(drift * (position - 0.5)))
)
candidate = boundary_values[-1] * factor if direction > 0 else boundary_values[-1] / factor
next_ne = float(np.clip(candidate, NE_BOUNDS[0], NE_BOUNDS[1]))
if np.isclose(next_ne, boundary_values[-1], rtol=1e-12, atol=1e-9):
candidate = boundary_values[-1] / factor if direction > 0 else boundary_values[-1] * factor
next_ne = float(np.clip(candidate, NE_BOUNDS[0], NE_BOUNDS[1]))
direction = -1 if next_ne > boundary_values[-1] else 1
boundary_values.append(next_ne)
values = [present_ne, *boundary_values]
growth_rates = [0.0]
for left_t, right_t, left_ne, right_ne in zip(
breaks[:-1], breaks[1:], boundary_values[:-1], boundary_values[1:]
):
growth_rates.append(float(np.log(left_ne / right_ne) / (right_t - left_t)))
growth_rates.append(0.0)
return breaks, values, {
"oscillation_strength_fraction": float(strength),
"oscillation_onset": float(onset),
"oscillation_end": float(end),
"oscillation_regularity": float(concentration),
"oscillation_swing_uniformity": float(uniformity),
"oscillation_amplitude_drift": float(drift),
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"zigzag_rate_change_count": int(len(breaks)),
"zigzag_internal_extrema_count": int(max(0, len(breaks) - 2)),
"knot_count": int(len(values)),
}
# ---------------------------------------------------------------------------
# The out-of-Africa chain
# ---------------------------------------------------------------------------
#
# The one shape the mixture could not previously produce. A serial founder
# history is a chain: an ancestral population expands, a subset leaves and is
# held small for thousands of generations, and only then grows -- and the
# phases are ordered and their sizes related, which is exactly what
# ``ancient_recent_compound`` threw away by drawing its two events
# independently. Real inferred human histories all have this shape, and it is
# the shape a demographic inference method is most often asked about.
#
# The ranges bracket the published single-population human models rather than
# reproducing any one of them: ancestral sizes near ten thousand, an ancient
# expansion some thousands of generations back, a bottleneck one to a few
# thousand generations back holding at a few percent to a third of the
# pre-bottleneck size, and recent exponential growth over the last few hundred
# to fifteen hundred generations. Widening every one of them well past the
# human values is deliberate: the point is the chain, not the species.
OOA_ANCESTRAL_NE = LEVEL_NE_RANGE
OOA_EXPANSION_FACTOR = (1.2, 6.0)
OOA_BOTTLENECK_FACTOR = (0.02, 0.5)
OOA_GROWTH_FACTOR = (2.0, 400.0)
# The chain is an ordering of phases, not a date. Ranges bracketing only the
# human values pinned the trajectory's minimum to bins 6 through 24 of 64 on
# nine draws out of ten, which teaches a model where to expect a bottleneck
# rather than how to find one. These span most of the grid; the ordering
# constraint below is what makes it the chain.
OOA_EXPANSION_TIME = (2_000.0, 250_000.0)
OOA_BOTTLENECK_TIME = (400.0, 40_000.0)
OOA_GROWTH_ONSET = (60.0, 6_000.0)
def _ooa_chain(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
t_max = float(edges[-1])
ancestral = loguniform(rng, *OOA_ANCESTRAL_NE)
expansion_factor = loguniform(rng, *OOA_EXPANSION_FACTOR)
pre_bottleneck = float(np.clip(ancestral * expansion_factor, *NE_BOUNDS))
# The bottleneck has to end up below the ancestral level, not merely below
# the expanded one. Without this the ancient expansion can outrun a mild
# bottleneck and the trajectory's lowest point lands at the ancient end,
# which is a decline, not a founder event -- and the chain is the only
# reason this recipe exists. Human values are far inside the constraint:
# an ancestral size near 7,300 against an out-of-Africa bottleneck near
# 1,860.
bottleneck_ceiling = min(OOA_BOTTLENECK_FACTOR[1], 0.9 / expansion_factor)
bottleneck_factor = loguniform(
rng, min(OOA_BOTTLENECK_FACTOR[0], bottleneck_ceiling * 0.5), bottleneck_ceiling
)
bottleneck_ne = float(np.clip(pre_bottleneck * bottleneck_factor, *NE_BOUNDS))
growth_factor = loguniform(rng, *OOA_GROWTH_FACTOR)
present = float(np.clip(bottleneck_ne * growth_factor, *NE_BOUNDS))
# The chain only means anything if the phases stay in order.
growth_onset = float(loguniform(rng, *OOA_GROWTH_ONSET))
bottleneck_time = float(max(loguniform(rng, *OOA_BOTTLENECK_TIME), growth_onset * 1.6))
expansion_time = float(
min(max(loguniform(rng, *OOA_EXPANSION_TIME), bottleneck_time * 1.6), t_max * 0.85)
)
if not (growth_onset < bottleneck_time < expansion_time):
raise ValueError("out-of-Africa phases are out of order")
# Recent growth is native exponential; everything older is piecewise.
growth_rate = float(np.log(present / bottleneck_ne) / growth_onset)
breaks = [growth_onset, bottleneck_time, expansion_time]
values = [present, bottleneck_ne, pre_bottleneck, ancestral]
growth_rates = [growth_rate, 0.0, 0.0, 0.0]
return breaks, values, {
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": True,
"demography_growth_rates": growth_rates,
"ooa_ancestral_ne": float(ancestral),
"ooa_expansion_factor": float(expansion_factor),
"ooa_bottleneck_factor": float(bottleneck_ne / pre_bottleneck),
"ooa_growth_factor": float(present / bottleneck_ne),
"ooa_bottleneck_duration": float(bottleneck_time - growth_onset),
"event_time": float(bottleneck_time),
"event_duration": float(bottleneck_time - growth_onset),
"knot_count": int(len(values)),
"has_recent_event": True,
"has_ancient_event": bool(expansion_time >= 50_000.0),
}
# ---------------------------------------------------------------------------
# The held-out evaluation catalogue
# ---------------------------------------------------------------------------
def _stdpopsim_single_pop(rng: np.random.Generator, cfg: Config, edges: np.ndarray, mids: np.ndarray) -> SamplerResult:
"""One of the eighteen frozen stdpopsim single-population models, verbatim.
No randomisation of the trajectory at all: the map, the mutation rate and
the sequencing noise still differ from row to row, so a run of these is a
set of data replicates of a fixed known history. That is what makes them
usable as evidence -- the shape was chosen by other people for other
reasons, so error on it is not error on our own prior redrawn.
These rows carry ``held_out_evaluation`` so the split can route them out of
the training gradient. Training on them would not be wrong so much as
pointless: it would destroy the only measurement they exist to provide.
"""
template = choose_stdpopsim_template(rng, cfg)
if template is None:
raise ValueError(
"stdpopsim single-population templates are unavailable; run "
"scripts/build_stdpopsim_single_pop.py or set p_stdpopsim_single_pop to 0"
)
return list(template.breaks), list(template.values), {
"demography_function": "piecewise_exponential_linear_time",
"native_continuous_growth": any(float(r) != 0.0 for r in template.growth_rates),
"demography_growth_rates": list(template.growth_rates),
"held_out_evaluation": True,
"literature_demography_anchor": True,
"literature_model_id": template.model_id,
"stdpopsim_species": template.species,
"stdpopsim_model_id": template.model_id,
"stdpopsim_population": template.population,
"stdpopsim_generation_time_years": float(template.generation_time_years),
"stdpopsim_ne_rescale": float(template.ne_rescale),
"knot_count": int(len(template.values)),
"has_recent_event": bool(template.breaks and min(template.breaks) <= 5_000.0),
"has_ancient_event": bool(template.breaks and max(template.breaks) >= 50_000.0),
}
DEMO_SAMPLERS: dict[str, DemoSampler] = {
"constant": _constant,
"spectral_walk": _spectral_walk,
"size_event": _size_event,
"multi_event": _multi_event,
"exponential": _exponential,
"sawtooth": _sawtooth,
"literature_sawtooth": _literature_sawtooth,
"bottleneck": _bottleneck,
"event_on_background": _event_on_background,
"ooa_chain": _ooa_chain,
"empirical_human_ne_template": _empirical_human_ne_template,
"stdpopsim_single_pop": _stdpopsim_single_pop,
}
def choose_generator_recipe(rng: np.random.Generator, cfg: Config) -> str:
choices: list[str] = []
probs: list[float] = []
for demo_type, field in DEMO_PROB_FIELDS:
weight = float(getattr(cfg, field, 0.0))
if demo_type == "empirical_human_ne_template" and weight > 0 and not empirical_ne_templates_available(cfg):
continue
if weight > 0:
choices.append(demo_type)
probs.append(weight)
if not choices:
return "constant"
p = np.asarray(probs, dtype=np.float64)
return str(rng.choice(choices, p=p / p.sum()))
def sample_custom_demography(rng: np.random.Generator, cfg: Config) -> tuple[msprime.Demography, np.ndarray, dict]:
# Samplers read only the endpoints of this grid. A history is a function
# of continuous time, so the label resolution can move without moving the
# history, the random-number stream, or anything downstream of them.
target_edges, target_mids = time_grid(cfg)
generator_recipe = choose_generator_recipe(rng, cfg)
sampler = DEMO_SAMPLERS.get(generator_recipe)
if sampler is None:
raise ValueError(f"Unknown demography sampler: {generator_recipe}")
breaks, values, meta = sampler(rng, cfg, target_edges, target_mids)
is_stress = "stress" in str(generator_recipe)
breaks, values, growth_rates = _clean_demography(
breaks,
values,
meta.get("demography_growth_rates"),
stress=is_stress,
)
y = bin_average_log10_ne(target_edges, breaks, values, growth_rates)
demography_type = resolve_demography_type(generator_recipe, values, meta)
meta = {
**meta,
**summarize_demography(
target_edges,
breaks,
values,
growth_rates,
meta,
generator_recipe=generator_recipe,
demography_type=demography_type,
),
"scenario": generator_recipe,
"generator_recipe": generator_recipe,
"generator_recipe_id": GENERATOR_RECIPE_IDS[generator_recipe],
"demography_type": demography_type,
"demography_type_id": DEMOGRAPHY_TYPE_IDS[demography_type],
"demography_mixture_version": cfg.demography_mixture_version,
"demography_breaks": [float(x) for x in breaks],
"demography_values": [float(x) for x in values],
"demography_growth_rates": [float(x) for x in growth_rates],
"target_scale": "log10_Ne",
"target_aggregation": "log_time_bin_average",
"target_time_bins": int(cfg.time_bins),
"demography_resolution_log10": float(cfg.demography_resolution_log10),
}
return build_demography(breaks, values, growth_rates), y, meta
|