Datasets:
Formats:
parquet
Size:
100K - 1M
Tags:
population-genetics
demographic-inference
effective-population-size
coalescent
msprime
simulation
License:
Download generator/code/tests/test_spectral_walk.py from Larrivhan/NeCast-simulations: direct link, hf CLI and curl.
- Browser
- Download file 13.8 kB
-
https://huggingface.co/datasets/Larrivhan/NeCast-simulations/resolve/main/generator/code/tests/test_spectral_walk.py
- Command line
-
hf download hf://datasets/Larrivhan/NeCast-simulations/generator/code/tests/test_spectral_walk.py
-
curl -L -o test_spectral_walk.py https://huggingface.co/datasets/Larrivhan/NeCast-simulations/resolve/main/generator/code/tests/test_spectral_walk.py
13.8 kB
| """Calibration and invariance tests for the spectral walk. | |
| Every number here was measured, and the comment on each test says against | |
| what. The reference throughout is ``empirical_human_ne_template``, the one | |
| recipe in the mixture built from histories inferred on real human data: over | |
| its own draws it turns 6/9/13 times, has total variation 1.68/2.65/3.46 in | |
| log10 Ne, and spans 0.78/1.27/1.78. Those are the only numbers in the | |
| generator that were not chosen by us, so they are what the synthetic walk is | |
| held to. | |
| The tolerances are wide on purpose. A sampler that matched the anchor exactly | |
| would train a model that only works on histories as tame as the anchor, so the | |
| tails here deliberately exceed it; what the tests pin is that the *body* of the | |
| distribution sits on the anchor and the tails go outward rather than the | |
| distribution sitting somewhere else entirely. | |
| """ | |
| from __future__ import annotations | |
| import dataclasses | |
| import numpy as np | |
| import pytest | |
| from simulator.config import NE_LOG10_BOUNDS, Config | |
| from simulator.demography import ( | |
| DEMO_PROB_FIELDS, | |
| SPECTRAL_RANGE_CAP, | |
| SPECTRAL_TV_CAP, | |
| sample_custom_demography, | |
| spectral_walk_curve, | |
| ) | |
| from simulator.utils import bin_average_log10_ne, time_grid | |
| ANCHOR_TURNS = (6, 9, 13) | |
| ANCHOR_TOTAL_VARIATION = (1.68, 2.65, 3.46) | |
| ANCHOR_RANGE = (0.78, 1.27, 1.78) | |
| def _only_spectral(**overrides) -> Config: | |
| cfg = dataclasses.replace(Config(), **overrides) | |
| for _, field in DEMO_PROB_FIELDS: | |
| setattr(cfg, field, 0.0) | |
| cfg.p_spectral_walk = 1.0 | |
| return cfg | |
| def _turning_points(curve: np.ndarray) -> int: | |
| """Count sign changes in the slope, ignoring flats. | |
| A piecewise-constant curve has zero slope wherever it holds, and counting | |
| ``sign`` transitions through those zeros turns every plateau boundary into | |
| a spurious turning point -- which inflates a 22-knot curve to 39 turns | |
| against a true 6. Dropping the zero differences first is what makes the | |
| count comparable to the anchor's. | |
| """ | |
| steps = np.diff(np.asarray(curve, dtype=np.float64)) | |
| steps = steps[steps != 0.0] | |
| if steps.size < 2: | |
| return 0 | |
| return int((np.diff(np.sign(steps)) != 0).sum()) | |
| def _profile(n: int = 1_200, **overrides) -> dict[str, np.ndarray]: | |
| cfg = _only_spectral(**overrides) | |
| turns, variation, span = [], [], [] | |
| recent, ancient = [], [] | |
| for seed in range(n): | |
| _, target, _ = sample_custom_demography(np.random.default_rng(seed), cfg) | |
| target = np.asarray(target, dtype=np.float64) | |
| half = target.size // 2 | |
| turns.append(_turning_points(target)) | |
| variation.append(float(np.abs(np.diff(target)).sum())) | |
| span.append(float(target.max() - target.min())) | |
| recent.append(float(np.abs(np.diff(target[:half])).sum())) | |
| ancient.append(float(np.abs(np.diff(target[half:])).sum())) | |
| return { | |
| "turns": np.array(turns, dtype=np.float64), | |
| "total_variation": np.array(variation), | |
| "range": np.array(span), | |
| "recent": np.array(recent), | |
| "ancient": np.array(ancient), | |
| } | |
| def profile() -> dict[str, np.ndarray]: | |
| return _profile() | |
| # -------------------------------------------------------------------------- | |
| # Where the body of the distribution sits | |
| # -------------------------------------------------------------------------- | |
| def test_the_median_curve_turns_as_often_as_the_human_anchor(profile) -> None: | |
| """The statistic the four retired samplers missed. | |
| Their union was bimodal -- 15% of rows near 6 turning points and 19.5% | |
| near 19 to 23 -- with nothing at 9, which is where the anchor is. Median | |
| 9 is the whole point of the replacement, so it is pinned tightly. | |
| """ | |
| assert np.median(profile["turns"]) == pytest.approx(ANCHOR_TURNS[1], abs=1.0) | |
| def test_the_median_curve_spans_as_far_as_the_human_anchor(profile) -> None: | |
| """The retired union's range median was 0.68 against the anchor's 1.27. | |
| Half the amplitude at twice the frequency is the regime where a history | |
| puts almost nothing into the coalescent length spectrum, so predicting the | |
| mean level and ignoring the structure wins. This is the test that stops | |
| the mixture drifting back into it. | |
| """ | |
| assert np.median(profile["range"]) == pytest.approx(ANCHOR_RANGE[1], rel=0.15) | |
| def test_total_variation_sits_on_the_anchor_and_the_upper_tail_exceeds_it( | |
| profile, | |
| ) -> None: | |
| variation = profile["total_variation"] | |
| assert np.median(variation) == pytest.approx(ANCHOR_TOTAL_VARIATION[1], rel=0.25) | |
| # Deliberate headroom: the model has to survive histories rougher than the | |
| # one anchor we happen to have. | |
| assert np.percentile(variation, 90) > ANCHOR_TOTAL_VARIATION[2] | |
| assert float(variation.max()) <= SPECTRAL_TV_CAP + 1e-6 | |
| # -------------------------------------------------------------------------- | |
| # The two axes are independent, which is what one sampler buys over four | |
| # -------------------------------------------------------------------------- | |
| def test_all_four_corners_of_roughness_by_amplitude_are_populated(profile) -> None: | |
| """The four retired samplers occupied two corners and left two empty. | |
| ``smooth_random_walk`` was smooth and large, the three dense ones were | |
| rough and small; no sampler produced a rough curve at full amplitude or a | |
| smooth one at low amplitude. A model trained on that can read amplitude | |
| off roughness, which is a correlation of our construction and not of | |
| population genetics. | |
| """ | |
| rough = profile["turns"] >= 12 | |
| large = profile["range"] >= 1.0 | |
| for name, mask in ( | |
| ("smooth+large", ~rough & large), | |
| ("smooth+small", ~rough & ~large), | |
| ("rough+large", rough & large), | |
| ("rough+small", rough & ~large), | |
| ): | |
| assert mask.mean() > 0.05, f"{name} corner is nearly empty" | |
| def test_the_tilt_reaches_both_directions_of_recent_versus_ancient(profile) -> None: | |
| """``dense_recent_wiggle`` only ever made recent time the noisier half. | |
| Its measured recent/ancient variation ratio was 1.93 and the other three | |
| samplers were flat at 1.03, 0.96 and 0.98, so no row in the mixture was | |
| ever quieter recently than anciently. Real inferred histories go both | |
| ways, and the envelope tilt is symmetric so the mixture does too. | |
| """ | |
| ratio = profile["recent"] / np.maximum(profile["ancient"], 1e-9) | |
| assert np.percentile(ratio, 10) < 0.7 | |
| assert np.percentile(ratio, 90) > 1.5 | |
| assert np.median(ratio) == pytest.approx(1.0, abs=0.25) | |
| # -------------------------------------------------------------------------- | |
| # The curve exists before the grid does | |
| # -------------------------------------------------------------------------- | |
| def test_the_distribution_does_not_move_with_the_target_resolution( | |
| target_bins: int, profile | |
| ) -> None: | |
| """The reason for the rewrite as much as the calibration was. | |
| All four retired samplers stepped ``cfg.time_bins`` times and placed knots | |
| at a fixed fraction of that count, so asking for 96 bins instead of 64 did | |
| not resolve the same history better -- it drew a different distribution of | |
| histories. Here the series is defined on continuous log time, so the grid | |
| only decides how finely an existing curve is read. | |
| """ | |
| measured = _profile(n=400, time_bins=target_bins) | |
| assert np.median(measured["turns"]) == pytest.approx( | |
| np.median(profile["turns"]), abs=1.0 | |
| ) | |
| assert np.median(measured["range"]) == pytest.approx( | |
| np.median(profile["range"]), rel=0.1 | |
| ) | |
| def test_the_quadrature_is_past_convergence() -> None: | |
| """The curve's amplitude is a property of the function, not of a sample. | |
| ``SPECTRAL_QUADRATURE`` exists only to measure the range and total variation | |
| of a band-limited series numerically. If it were too coarse the realised | |
| amplitude would depend on where you looked, so probing far more densely than | |
| it does has to return the same answer. | |
| """ | |
| rng = np.random.default_rng(11) | |
| for _ in range(40): | |
| ne_range = float(rng.uniform(0.2, 3.0)) | |
| kwargs = dict( | |
| seed=int(rng.integers(1 << 40)), | |
| slope=float(rng.uniform(0.6, 2.0)), | |
| n_modes=int(rng.integers(6, 49)), | |
| tilt=float(rng.uniform(-1.2, 1.2)), | |
| ne_range=ne_range, | |
| level=4.0, | |
| ) | |
| coarse = spectral_walk_curve(np.geomspace(50.0, 500_000.0, 2_000), **kwargs) | |
| fine = spectral_walk_curve(np.geomspace(50.0, 500_000.0, 40_000), **kwargs) | |
| assert float(np.ptp(fine)) == pytest.approx(float(np.ptp(coarse)), abs=2e-3) | |
| # And the realised amplitude is the one that was asked for, unless the | |
| # total-variation cap bound, which only ever shrinks it. The quadrature | |
| # samples bin centres, so a denser probe may find a peak just past it. | |
| assert float(np.ptp(fine)) <= ne_range * 1.01 | |
| def test_the_stored_scalars_reproduce_the_curve_at_any_resolution() -> None: | |
| """The six numbers in the metadata are the whole history. | |
| Not a convenience: it is what lets a row generated against a 64-bin target | |
| be re-scored against a 96- or 128-bin one without regenerating the dataset, | |
| and what makes the label auditable after the fact. | |
| """ | |
| cfg = _only_spectral() | |
| _, target, meta = sample_custom_demography(np.random.default_rng(7), cfg) | |
| edges = np.concatenate(([cfg.min_time], meta["demography_breaks"], [cfg.max_time])) | |
| replayed = spectral_walk_curve( | |
| np.sqrt(edges[:-1] * edges[1:]), | |
| meta["spectral_seed"], | |
| meta["spectral_slope"], | |
| meta["spectral_n_modes"], | |
| meta["spectral_tilt"], | |
| meta["spectral_ne_range"], | |
| meta["spectral_level"], | |
| cfg.min_time, | |
| cfg.max_time, | |
| ) | |
| np.testing.assert_allclose( | |
| replayed, np.log10(meta["demography_values"]), rtol=0.0, atol=1e-9 | |
| ) | |
| # And the label those epochs carry is the one the shard stores. | |
| np.testing.assert_allclose( | |
| bin_average_log10_ne( | |
| time_grid(cfg)[0], | |
| list(meta["demography_breaks"]), | |
| list(meta["demography_values"]), | |
| [0.0] * len(meta["demography_values"]), | |
| ), | |
| target, | |
| rtol=0.0, | |
| atol=1e-9, | |
| ) | |
| # -------------------------------------------------------------------------- | |
| # Bounds | |
| # -------------------------------------------------------------------------- | |
| def test_no_curve_is_clipped_into_a_plateau(profile) -> None: | |
| """Clipping would grow a flat stretch the sampler never chose. | |
| The level is moved to fit the range instead, so at the widest ranges the | |
| curve is centred in the band rather than pressed against its edge. | |
| """ | |
| assert SPECTRAL_RANGE_CAP < NE_LOG10_BOUNDS[1] - NE_LOG10_BOUNDS[0] | |
| assert float(profile["range"].max()) <= SPECTRAL_RANGE_CAP + 1e-6 | |
| def test_every_value_stays_inside_the_declared_effective_size_band() -> None: | |
| cfg = _only_spectral() | |
| for seed in range(200): | |
| _, target, _ = sample_custom_demography(np.random.default_rng(seed), cfg) | |
| assert float(np.min(target)) >= NE_LOG10_BOUNDS[0] - 1e-9 | |
| assert float(np.max(target)) <= NE_LOG10_BOUNDS[1] + 1e-9 | |
| def test_the_spectral_walk_carries_the_background(): | |
| assert Config().p_spectral_walk == pytest.approx(0.20) | |
| def test_a_generated_row_replays_exactly_from_its_metadata_alone(tmp_path) -> None: | |
| """End to end, through the writer rather than the sampler's return value. | |
| The shard's array schema is fixed, so the six scalars ride in the metadata | |
| sidecar; this is the test that they actually arrive there and are enough. | |
| Without it the claim that a dataset can be re-scored at a different | |
| resolution is untested at the only layer that matters. | |
| """ | |
| import gzip | |
| import json | |
| import numpy as np | |
| from simulator.config import SOURCE_PROB_FIELDS, validate_config | |
| from simulator.empirical_maps import EmpiricalMapStore | |
| from simulator.shards import generate_dataset | |
| from simulator.utils import bin_average_log10_ne, time_grid | |
| cfg = _only_spectral( | |
| dataset_name="spectral-replay", | |
| out_dir=str(tmp_path / "ds"), | |
| seed=4_242, | |
| n_samples=4, | |
| shard_size=4, | |
| seq_len=20_000, | |
| n_haplotypes=8, | |
| baseline_mu=1.0e-7, | |
| map_segments_min=8, | |
| map_segments_max=8, | |
| ) | |
| for field in SOURCE_PROB_FIELDS: | |
| setattr(cfg, field, 0.0) | |
| cfg.p_custom_hetero = 1.0 | |
| validate_config(cfg) | |
| generate_dataset(cfg, EmpiricalMapStore()) | |
| shard = np.load( | |
| next((tmp_path / "ds").rglob("*.npz")), allow_pickle=True | |
| ) | |
| with gzip.open(tmp_path / "ds" / "metadata" / "samples.jsonl.gz", "rt") as handle: | |
| rows = [json.loads(line) for line in handle] | |
| target_edges, _ = time_grid(cfg) | |
| for index, row in enumerate(rows): | |
| edges = np.concatenate( | |
| ([cfg.min_time], row["demography_breaks"], [cfg.max_time]) | |
| ) | |
| curve = spectral_walk_curve( | |
| np.sqrt(edges[:-1] * edges[1:]), | |
| row["spectral_seed"], | |
| row["spectral_slope"], | |
| row["spectral_n_modes"], | |
| row["spectral_tilt"], | |
| row["spectral_ne_range"], | |
| row["spectral_level"], | |
| cfg.min_time, | |
| cfg.max_time, | |
| ) | |
| replayed = bin_average_log10_ne( | |
| target_edges, | |
| list(row["demography_breaks"]), | |
| list(10.0**curve), | |
| [0.0] * curve.size, | |
| ) | |
| np.testing.assert_allclose( | |
| replayed, | |
| shard["target_log10_ne"][index], | |
| rtol=0.0, | |
| atol=1e-6, | |
| ) | |