"""Generate deterministic train/val/test splits for the HiLiftAeroML dataset. Produces a manifest.json containing 14 split types, each with train/val/test keys: 1. full - random case-level 70/10/20 split 2. medium - same val/test as full, train has 510 nested cases 3. scarce - same val/test as full, train is 1/6 subsample 4. super_scarce - same val/test as full, train is 1/36 subsample 5. geometry - hold out 36 random geometries for test 6. geometry_medium - 51 complete train geometries, same geometry val/test 7. geometry_scarce - 21 complete train geometries, same geometry val/test 8. geometry_super_scarce - 4 complete train geometries, same geometry val/test 9. aoa - train on AoA <= 12, test on AoA >= 14 10. deflection - train on low-deflection geometries, test on top 20% 11. stall - train on pre-stall, test on post-stall (per-geometry) 12. single_aoa_4 - per-AoA geometry split at 4 deg (pre-stall) 13. single_aoa_12 - per-AoA geometry split at 12 deg (mid-range) 14. single_aoa_22 - per-AoA geometry split at 22 deg (post-stall) For every split, the validation set is drawn from the **same distribution as training** so that hyperparameter tuning never sees out-of-distribution data. Usage: uv run splits/generate_splits.py """ import csv import hashlib import json import random from pathlib import Path import numpy as np from scipy.interpolate import CubicSpline ### ──── Dataset constants ──── DATA_ROOT = Path(__file__).resolve().parent.parent / "dataset" GEOMETRY_IDS = [f"LHC{i:03d}" for i in range(1, 181)] AOA_VALUES = list(range(4, 23, 2)) # [4, 6, 8, 10, 12, 14, 16, 18, 20, 22] AOA_ARRAY = np.asarray(AOA_VALUES, dtype=float) N_GEOMETRIES = len(GEOMETRY_IDS) # 180 N_AOA = len(AOA_VALUES) # 10 N_CASES = N_GEOMETRIES * N_AOA # 1800 ### ──── Split parameters ──── SEED = 42 TRAIN_FRACTION = 0.7 VAL_FRACTION = 0.1 TEST_FRACTION = 0.2 VAL_FRACTION_OF_POOL = VAL_FRACTION / (1 - TEST_FRACTION) N_TEST_GEOS = round(N_GEOMETRIES * TEST_FRACTION) # 36 N_VAL_GEOS = round((N_GEOMETRIES - N_TEST_GEOS) * VAL_FRACTION_OF_POOL) # 18 N_TRAIN_GEOS = N_GEOMETRIES - N_TEST_GEOS - N_VAL_GEOS # 126 SCARCE_FRACTION = 1 / 6 # fraction of full_train for scarce_train SUPER_SCARCE_FRACTION = 1 / 36 # fraction of full_train for super_scarce_train N_MEDIUM_CASES = 510 # near geometric midpoint of 1260 and 210 # Nested whole-geometry data-efficiency ladder. Every selected geometry keeps # all 10 AoA cases, so geometry coverage is varied without also varying the # within-geometry AoA trajectory. N_GEOMETRY_MEDIUM = 51 N_GEOMETRY_SCARCE = 21 N_GEOMETRY_SUPER_SCARCE = 4 # AoA split: train/val on pre-stall regime, test on stall/post-stall. # The 12/14 cutoff is physics-motivated: the paper documents a regime # transition around 14-16 deg where dominant aerodynamic sensitivity # shifts from flap deflection (camber) to slat deflection (leading-edge # separation control). AOA_TRAIN = [4, 6, 8, 10, 12] AOA_TEST = [14, 16, 18, 20, 22] # Deflection parameters used to compute mean deflection per geometry DEFLECTION_PARAMS = [ "IB_Flap_Deflection", "OB_Flap_Deflection", "IB_Slat_Deflection", "OB_Slat_Deflection", ] # Per-AoA evaluation: pre-stall / mid-range / post-stall PER_AOA_VALUES = [4, 12, 22] ### ──── Helpers ──── def case_id(geo: str, aoa: int) -> str: """Construct a case ID matching the on-disk directory name.""" return f"geo_{geo}_AoA_{aoa}" def case_sort_key(cid: str) -> tuple[int, int]: """Sort key giving numerical order: (geometry_number, aoa).""" parts = cid.split("_") # ["geo", "LHC042", "AoA", "12"] return int(parts[1][3:]), int(parts[3]) def make_case_ids(geos: list[str], aoas: list[int]) -> list[str]: """Generate sorted case IDs for all (geometry, AoA) combinations.""" return sorted( [case_id(g, a) for g in geos for a in aoas], key=case_sort_key, ) def _rng(salt: str) -> random.Random: """Create a deterministic RNG independent of other splits. Each split derives its own seed from the master SEED and a salt string, so adding or modifying one split never affects another. """ seed_bytes = hashlib.sha256(f"{SEED}:{salt}".encode()).digest()[:8] return random.Random(int.from_bytes(seed_bytes, "big")) def _split_pool( pool: list[str], *, salt: str, ) -> tuple[list[str], list[str]]: """Split a case-level pool into (train, val) by random subsample. Holds out VAL_FRACTION_OF_POOL of the pool as val, returns the rest as train. Both lists are returned sorted by case_sort_key. """ rng = _rng(salt) shuffled = pool.copy() rng.shuffle(shuffled) n_val = round(len(pool) * VAL_FRACTION_OF_POOL) val = sorted(shuffled[:n_val], key=case_sort_key) train = sorted(shuffled[n_val:], key=case_sort_key) return train, val ### ──── Core: geometry selection ──── def select_geometry_splits() -> tuple[list[str], list[str], list[str]]: """Select train/val/test geometries, returning (train, val, test). The val and test geometry sets are shared across the `geometry` split and all `single_aoa_*` splits, enabling direct comparison across AoA regimes on identical held-out geometries. """ rng = _rng("geometry_selection") shuffled = GEOMETRY_IDS.copy() rng.shuffle(shuffled) test_geos = sorted(shuffled[:N_TEST_GEOS]) val_geos = sorted(shuffled[N_TEST_GEOS : N_TEST_GEOS + N_VAL_GEOS]) train_geos = sorted(shuffled[N_TEST_GEOS + N_VAL_GEOS :]) return train_geos, val_geos, test_geos def order_training_geometries(train_geos: list[str]) -> list[str]: """Return one deterministic priority ordering of training geometries. Prefixes of this ordering define the nested geometry data-efficiency ladder without changing the existing geometry train/val/test assignment. """ ordered = train_geos.copy() _rng("geometry_data_efficiency").shuffle(ordered) return ordered ### ──── Stall detection ──── def load_cl_matrix() -> np.ndarray: """Load CL for all geometries and AoA from per-case force_mom CSVs. Returns: Array of shape (N_GEOMETRIES, N_AOA) where entry [i, j] is the lift coefficient for geometry i at AOA_VALUES[j]. """ cl = np.zeros((N_GEOMETRIES, N_AOA)) for i, geo in enumerate(GEOMETRY_IDS): for j, aoa in enumerate(AOA_VALUES): case = f"geo_{geo}_AoA_{aoa}" csv_path = DATA_ROOT / case / f"force_mom_{case}.csv" with open(csv_path) as f: row = next(csv.DictReader(f)) cl[i, j] = float(row["cl"]) return cl def detect_stall(cl_row: np.ndarray) -> int | None: """Find the first AoA index where dCL/dalpha <= 0 via cubic spline. Fits a cubic spline to CL(alpha), differentiates it analytically, and evaluates at each data point to find the onset of stall. Args: cl_row: CL values at each of the N_AOA data points for one geometry. Returns: Index into AOA_VALUES of stall onset, or None if CL is monotonically increasing (no stall detected within the AoA range). """ dcl_dalpha = CubicSpline(AOA_ARRAY, cl_row).derivative()(AOA_ARRAY) nonpositive = np.where(dcl_dalpha <= 0.0)[0] if len(nonpositive) == 0: return None return int(nonpositive[0]) def build_stall_mask() -> np.ndarray: """Build a boolean mask marking post-stall cases. For each geometry, the stall onset AoA is the first angle where dCL/dalpha <= 0 (from the cubic spline fit). Everything from that AoA onward is marked post-stall. Returns: Boolean array of shape (N_GEOMETRIES, N_AOA), True = post-stall. Row order matches GEOMETRY_IDS, column order matches AOA_VALUES. """ cl = load_cl_matrix() mask = np.zeros((N_GEOMETRIES, N_AOA), dtype=bool) for i in range(N_GEOMETRIES): idx = detect_stall(cl[i]) if idx is not None: mask[i, idx:] = True return mask ### ──── Deflection analysis ──── def load_mean_deflections() -> dict[str, float]: """Compute mean deflection angle for each geometry from the master CSV. Averages the 4 deflection angles (IB/OB flap and slat) per geometry. Gap multipliers are excluded since they are dimensionless scale factors, not angular deflections. Returns: Dict mapping geometry ID (e.g. "LHC001") to mean deflection in degrees. """ csv_path = DATA_ROOT / "geo_parameters_all.csv" lhc_set = set(GEOMETRY_IDS) result: dict[str, float] = {} with open(csv_path, encoding="utf-8-sig") as f: for row in csv.DictReader(f): geo = row["GeoID"] if geo in lhc_set: angles = [float(row[p]) for p in DEFLECTION_PARAMS] result[geo] = sum(angles) / len(angles) return result ### ──── Split generation ──── def generate_splits() -> dict[str, list[str]]: """Generate all 14 split types with train/val/test keys. Returns: Dict mapping split keys to sorted lists of case ID strings. Keys follow the pattern ``{split_name}_{train|val|test}``. """ train_geos, val_geos, test_geos = select_geometry_splits() splits: dict[str, list[str]] = {} ### 1. Full random case-level split (70/10/20) rng = _rng("full_case_shuffle") all_cases = make_case_ids(GEOMETRY_IDS, AOA_VALUES) shuffled = all_cases.copy() rng.shuffle(shuffled) n_test = round(N_CASES * TEST_FRACTION) # 360 n_val = round((N_CASES - n_test) * VAL_FRACTION_OF_POOL) # 180 splits["full_train"] = sorted(shuffled[n_test + n_val :], key=case_sort_key) splits["full_val"] = sorted(shuffled[n_test : n_test + n_val], key=case_sort_key) splits["full_test"] = sorted(shuffled[:n_test], key=case_sort_key) ### 2-4. Case-level data-efficiency splits # Same val/test as full; train is a subsample of full_train. # super_scarce ⊂ scarce ⊂ medium ⊂ full by construction: a single # shuffle determines the priority order, and each level takes a prefix. rng_scarce = _rng("scarce_subsample") full_train_shuffled = splits["full_train"].copy() rng_scarce.shuffle(full_train_shuffled) n_scarce = round(len(splits["full_train"]) * SCARCE_FRACTION) n_super_scarce = round(len(splits["full_train"]) * SUPER_SCARCE_FRACTION) splits["medium_train"] = sorted(full_train_shuffled[:N_MEDIUM_CASES], key=case_sort_key) splits["medium_val"] = splits["full_val"] splits["medium_test"] = splits["full_test"] splits["scarce_train"] = sorted(full_train_shuffled[:n_scarce], key=case_sort_key) splits["scarce_val"] = splits["full_val"] splits["scarce_test"] = splits["full_test"] splits["super_scarce_train"] = sorted(full_train_shuffled[:n_super_scarce], key=case_sort_key) splits["super_scarce_val"] = splits["full_val"] splits["super_scarce_test"] = splits["full_test"] ### 5. Geometry-level split (126/18/36 geometries) splits["geometry_train"] = make_case_ids(train_geos, AOA_VALUES) splits["geometry_val"] = make_case_ids(val_geos, AOA_VALUES) splits["geometry_test"] = make_case_ids(test_geos, AOA_VALUES) ### 6-8. Whole-geometry data-efficiency splits # Reuse the geometry split's held-out val/test geometries and take nested # prefixes from one deterministic ordering of geometry_train. All 10 AoAs # are retained for each selected training geometry. ordered_train_geos = order_training_geometries(train_geos) geometry_levels = { "geometry_medium": N_GEOMETRY_MEDIUM, "geometry_scarce": N_GEOMETRY_SCARCE, "geometry_super_scarce": N_GEOMETRY_SUPER_SCARCE, } for name, n_geos in geometry_levels.items(): splits[f"{name}_train"] = make_case_ids(ordered_train_geos[:n_geos], AOA_VALUES) splits[f"{name}_val"] = splits["geometry_val"] splits[f"{name}_test"] = splits["geometry_test"] ### 9. AoA extrapolation (low → high) # Val is drawn from the pre-stall pool (same distribution as train). aoa_pool = make_case_ids(GEOMETRY_IDS, AOA_TRAIN) aoa_train, aoa_val = _split_pool(aoa_pool, salt="aoa_val_shuffle") splits["aoa_train"] = aoa_train splits["aoa_val"] = aoa_val splits["aoa_test"] = make_case_ids(GEOMETRY_IDS, AOA_TEST) ### 10. Deflection-based geometry split # Sort geometries by mean deflection; train/val on the bottom 80%, # test on the top 20%. Val geos are a random subset of the low- # deflection pool (same distribution as train). mean_defls = load_mean_deflections() sorted_by_defl = sorted(GEOMETRY_IDS, key=lambda g: mean_defls[g]) defl_test_geos = sorted_by_defl[N_GEOMETRIES - N_TEST_GEOS :] # top 36 defl_pool_geos = sorted_by_defl[: N_GEOMETRIES - N_TEST_GEOS] # bottom 144 rng_defl = _rng("deflection_val_selection") pool_shuffled = defl_pool_geos.copy() rng_defl.shuffle(pool_shuffled) defl_train_geos = pool_shuffled[N_VAL_GEOS:] defl_val_geos = pool_shuffled[:N_VAL_GEOS] splits["deflection_train"] = make_case_ids(defl_train_geos, AOA_VALUES) splits["deflection_val"] = make_case_ids(defl_val_geos, AOA_VALUES) splits["deflection_test"] = make_case_ids(defl_test_geos, AOA_VALUES) ### 12-14. Per-AoA geometry splits (same geo split as geometry) for aoa in PER_AOA_VALUES: splits[f"single_aoa_{aoa}_train"] = make_case_ids(train_geos, [aoa]) splits[f"single_aoa_{aoa}_val"] = make_case_ids(val_geos, [aoa]) splits[f"single_aoa_{aoa}_test"] = make_case_ids(test_geos, [aoa]) ### 11. Stall-based split (per-geometry, data-driven) # Val is drawn from the pre-stall pool (same distribution as train). stall_mask = build_stall_mask() all_cases = make_case_ids(GEOMETRY_IDS, AOA_VALUES) stall_pool, stall_test = [], [] for cid, is_stalled in zip(all_cases, stall_mask.ravel()): (stall_test if is_stalled else stall_pool).append(cid) stall_train, stall_val = _split_pool(stall_pool, salt="stall_val_shuffle") splits["stall_train"] = stall_train splits["stall_val"] = stall_val splits["stall_test"] = stall_test return splits ### ──── Validation ──── def validate_splits(splits: dict[str, list[str]]) -> None: """Verify structural correctness of all generated splits. Checks: pairwise disjointness of train/val/test, correct totals, matching held-out geometries between geometry-level splits. """ split_names = sorted({k.rsplit("_", 1)[0] for k in splits}) for name in split_names: train_set = set(splits[f"{name}_train"]) val_set = set(splits[f"{name}_val"]) test_set = set(splits[f"{name}_test"]) assert not (train_set & val_set), f"{name}: train/val overlap" assert not (train_set & test_set), f"{name}: train/test overlap" assert not (val_set & test_set), f"{name}: val/test overlap" for cid in train_set | val_set | test_set: parts = cid.split("_") assert len(parts) == 4 and parts[0] == "geo" and parts[2] == "AoA", ( f"Malformed case ID: {cid!r}" ) ### Total sizes (partitioning splits should sum to N_CASES) for prefix in ["full", "geometry", "aoa", "deflection", "stall"]: total = ( len(splits[f"{prefix}_train"]) + len(splits[f"{prefix}_val"]) + len(splits[f"{prefix}_test"]) ) assert total == N_CASES, f"{prefix}: expected {N_CASES} total, got {total}" ### Case-level data efficiency: super_scarce ⊂ scarce ⊂ medium ⊂ full assert set(splits["super_scarce_train"]) < set(splits["scarce_train"]), ( "super_scarce_train must be a proper subset of scarce_train" ) assert set(splits["scarce_train"]) < set(splits["medium_train"]), ( "scarce_train must be a proper subset of medium_train" ) assert set(splits["medium_train"]) < set(splits["full_train"]), ( "medium_train must be a proper subset of full_train" ) for prefix in ["medium", "scarce", "super_scarce"]: assert splits[f"{prefix}_val"] == splits["full_val"], ( f"{prefix}_val must be identical to full_val" ) assert splits[f"{prefix}_test"] == splits["full_test"], ( f"{prefix}_test must be identical to full_test" ) ### Whole-geometry data efficiency: preserve complete AoA trajectories. geometry_ladder = [ ("geometry_super_scarce", N_GEOMETRY_SUPER_SCARCE), ("geometry_scarce", N_GEOMETRY_SCARCE), ("geometry_medium", N_GEOMETRY_MEDIUM), ("geometry", N_TRAIN_GEOS), ] for (smaller, expected_geos), (larger, _) in zip( geometry_ladder, geometry_ladder[1:] ): assert set(splits[f"{smaller}_train"]) < set(splits[f"{larger}_train"]), ( f"{smaller}_train must be a proper subset of {larger}_train" ) selected_geos = { cid.split("_AoA_")[0].removeprefix("geo_") for cid in splits[f"{smaller}_train"] } assert len(selected_geos) == expected_geos, ( f"{smaller}: expected {expected_geos} training geometries, " f"got {len(selected_geos)}" ) assert len(splits[f"{smaller}_train"]) == expected_geos * N_AOA, ( f"{smaller}: every selected geometry must retain all {N_AOA} AoAs" ) for prefix, _ in geometry_ladder[:-1]: assert splits[f"{prefix}_val"] == splits["geometry_val"], ( f"{prefix}_val must be identical to geometry_val" ) assert splits[f"{prefix}_test"] == splits["geometry_test"], ( f"{prefix}_test must be identical to geometry_test" ) for aoa in PER_AOA_VALUES: n = ( len(splits[f"single_aoa_{aoa}_train"]) + len(splits[f"single_aoa_{aoa}_val"]) + len(splits[f"single_aoa_{aoa}_test"]) ) assert n == N_GEOMETRIES, f"single_aoa_{aoa}: expected {N_GEOMETRIES}, got {n}" ### Val and test geometries are shared across geometry-level splits for role in ["val", "test"]: geo_set = { cid.split("_AoA_")[0].removeprefix("geo_") for cid in splits[f"geometry_{role}"] } for aoa in PER_AOA_VALUES: per_aoa_set = { cid.split("_AoA_")[0].removeprefix("geo_") for cid in splits[f"single_aoa_{aoa}_{role}"] } assert per_aoa_set == geo_set, ( f"single_aoa_{aoa} {role} geometries differ from geometry split" ) ### ──── Main ──── def main() -> None: splits = generate_splits() validate_splits(splits) ### Summary header print("HiLiftAeroML Splits") print("=" * 60) print(f" Dataset: {N_GEOMETRIES} geometries x {N_AOA} AoA = {N_CASES} cases") print(f" Seed: {SEED}") print() ### Geometry splits train_geos, val_geos, test_geos = select_geometry_splits() print(f" Test geometries ({len(test_geos)}):") for row_start in range(0, len(test_geos), 9): row = test_geos[row_start : row_start + 9] print(f" {', '.join(row)}") print(f" Val geometries ({len(val_geos)}):") for row_start in range(0, len(val_geos), 9): row = val_geos[row_start : row_start + 9] print(f" {', '.join(row)}") print() ### Split sizes split_names = sorted({k.rsplit("_", 1)[0] for k in splits}) print(f" {'Split':<28s} {'Train':>6s} {'Val':>6s} {'Test':>6s} {'Total':>6s}") print(f" {'-' * 56}") for name in split_names: n_train = len(splits[f"{name}_train"]) n_val = len(splits[f"{name}_val"]) n_test = len(splits[f"{name}_test"]) total = n_train + n_val + n_test print(f" {name:<28s} {n_train:>6d} {n_val:>6d} {n_test:>6d} {total:>6d}") print() ### Write manifest output = Path(__file__).parent / "manifest.json" output.write_text(json.dumps(splits, indent=4) + "\n") print(f" Manifest: {output}") print(f" Keys: {len(splits)}") print() print("All validations passed.") if __name__ == "__main__": main()