diff --git a/.gitignore b/.gitignore index 2325f1ab..7c38440c 100644 --- a/.gitignore +++ b/.gitignore @@ -14,5 +14,12 @@ __pycache__/ # Virtual environments .venv/ -# R cache lock +# R cache lock and fresh-regeneration backup tests/_r_cache.lock +tests/_r_cache.json.bak + +# Vendored R NNS local-install build artifacts +tools/NNS/src/*.o + +# Stray R plotting artifact from headless regeneration +Rplots.pdf diff --git a/docs/r13_cache_regeneration.md b/docs/r13_cache_regeneration.md new file mode 100644 index 00000000..229f2b64 --- /dev/null +++ b/docs/r13_cache_regeneration.md @@ -0,0 +1,170 @@ +# R NNS 13.0 parity cache regeneration provenance + +This document records the fresh, from-empty regeneration of +`tests/_r_cache.json` against live vendored R NNS 13.0. + +## Environment + +| Item | Value | +| --- | --- | +| Date of fresh regeneration | 2026-06-13 (UTC) | +| OS | Ubuntu 24.04.4 LTS (Linux 6.18.5 x86_64) | +| Python | 3.11.15 | +| R | R version 4.3.3 (2024-02-29) "Angel Food Cake" | +| Rscript | Rscript (R) version 4.3.3 (2024-02-29) | +| Vendored NNS source | `tools/NNS` (extracted package directory, preferred over `tools/NNS_13.0.tar.gz`) | +| `packageVersion("NNS")` | `13.0` | + +R NNS itself was installed exclusively from the vendored repository source via +`scripts/install_local_r_nns.py` (`R CMD INSTALL tools/NNS`), never from CRAN. +R package dependencies required to load vendored NNS (`data.table`, +`doParallel`, `foreach`, `Rcpp`, `RcppParallel`, `rgl`, `xts`, `zoo`, +`jsonlite`) were installed as Ubuntu binary packages; `Rfast` (plus its `zigg` +dependency) was built from the upstream GitHub release source +`RfastOfficial/Rfast` tag `v2.1.5.1-apollo` because CRAN was unreachable in +the regeneration environment. Only dependencies came from external archives; +NNS came from `tools/NNS`. + +## Commands run + +```bash +python scripts/install_local_r_nns.py +Rscript -e "suppressPackageStartupMessages(library(NNS)); cat(as.character(packageVersion('NNS')))" +# printed: 13.0 + +# Fresh regeneration: moves tests/_r_cache.json to tests/_r_cache.json.bak, +# starts from an EMPTY cache, and repopulates every entry with a live R call. +python scripts/regenerate_r_cache.py --fresh -- -n 0 tests/parity + +# Replay checks after regeneration +PYNNS_R_CACHE_ONLY=1 python -m pytest -q -n 0 tests/parity +python -m pytest -q tests/parity/test_r13_smoke.py +python -m pytest -q tests/invariants +ruff check . +mypy +python -m build +``` + +All cache-only/offline toggles (`PYNNS_R_CACHE_ONLY`, `NNS_R_CACHE_ONLY`, +`PYNNS_OFFLINE`, `NNS_OFFLINE`, `CI`) were unset for the regeneration run. +The `--fresh` mode added to `scripts/regenerate_r_cache.py` in this change +refuses to run in CI, verifies a live local R NNS 13.0 install before touching +anything, then moves the existing cache aside so no existing entry can be +reused during regeneration. + +The fresh regeneration was run twice: once to surface the true Python parity +gaps against live R 13.0 (216 test failures), and a second time from an empty +cache after the Python fixes below, confirming every parity test passes +against entries produced exclusively by live R calls. + +## Results + +| Item | Value | +| --- | --- | +| `nns_version` | `13.0` | +| `schema_version` | `1` | +| Final entry count | 2385 | +| Prior entry count | 2406 | + +The entry count dropped from 2406 to 2385 because 21 entries in the old +committed cache are stale: an instrumented cache-only replay confirmed that no +current parity test computes those 21 keys, so a from-empty regeneration never +recreates them. All 2385 keys requested by the current test suite were +regenerated from live R. + +### Deterministic cache entries that changed + +456 of the 2384 shared keys changed value relative to the previously committed +cache, summarized by NNS function (mapped by instrumenting the cache-key +computation during a full replay): + +| Function | Changed entries | +| --- | --- | +| `PM.matrix` | 216 | +| `NNS.reg` | 147 | +| `NNS.boost` (numeric harness) | 25 | +| `LPM.VaR` | 12 | +| `UPM.VaR` | 12 | +| `NNS.ANOVA` (custom harness) | 12 | +| `NNS.M.reg` | 10 | +| `NNS.stack` (numeric harness) | 6 | +| `NNS.dep` | 3 | +| `NNS.caus` | 3 | +| `NNS.moments` | 2 | +| `dy.d` (scalar harnesses) | 4 | +| factor-predictor harnesses (boost/stack/reg) | 4 | + +The fresh live R 13.0 values were treated as authoritative in every case. + +### Python parity fixes required + +Fresh regeneration surfaced 216 failing parity tests. All of them traced to +four deterministic divergences between NNS Python and vendored R NNS 13.0, and +Python was fixed to match R in each case: + +1. **`LPM.VaR` / `UPM.VaR` integer degrees 1–4** (`src/nns/var.py`): + R 13.0 replaced the `optimize()` search with an exact polynomial + root-finding inversion on the located order-statistic interval + (`.NNS_LPM_VaR_integer`). Python now ports that algorithm (prefix power + sums, break-ratio interval location, Brent root with + `tol = .Machine$double.eps^0.5`, and the same boundary/fallback handling). + This also fixed the `NNS.reg`/`NNS.M.reg` confidence intervals and + stack/boost prediction intervals built on these helpers. +2. **Distance-kernel lognormal rank weight** (`src/nns/distance.py`): + R 13.0's bulk path kernels (`NNS_distance_path_single_parallel_cpp`, used + for fitted values when `n.best > 1` and for multi-point estimates) use the + population sd of ranks `sqrt((k^2 - 1) / 12)` in the lognormal weight, + while the single-point `NNS_distance_cpp` kernel keeps the sample sd. + Python now provides `nns_distance_path_single_bulk` mirroring the bulk + kernel and keeps `nns_distance` on the single-point formulation. +3. **`NNS.M.reg` out-of-hull multi-point extrapolation** + (`src/nns/multivariate_regression.py`): R 13.0 vectorized the multi-point + outsider path (bulk kernel estimates, `pmax(distance, 1e-10)` gradient + guards) and removed the old dims-dropping behavior for a single outsider + row that Python previously emulated. Python now mirrors the new path. +4. **`NNS.ARMA` numeric multi-lag seasonal weighting** (`src/nns/arma.py`): + R weights each numeric seasonal factor by reversing the series with the + factor's *position* in the `seasonal.factor` vector + (`variable[seq(length(variable), 1, -i)]`), not its lag value. Python now + matches, which resolved the two previously `xfail`-ed Sunspots ARMA and + macro-like VAR practical examples; both now pass against live R and the + `xfail` markers were removed. + +Structural test updates justified by fresh R output: R 13.0's `NNS.boost` +returns only `results`, `pred.int`, `feature.weights`, and +`feature.frequency` (no `n.best`), so the Python return dictionary and the +test assertions that expected `n.best` were updated, and the NaN handling of +final boost estimates now matches R (`stack` falls back to `reg` only when +absent; NaNs are filled with the gravity of the remaining estimates). + +The only remaining `xfail` is the balanced Iris `NNS.boost` diagnostic, which +is documented as a stochastic sampling gap (R RNG-driven CV-index, feature +subset, and up/down-sampling draws cannot be reproduced bit-for-bit with +NumPy's RNG). No deterministic parity gap is excluded from the suite. + +### Manual comparison harness + +No `scripts/compare_nns.py` / `scripts/compare_nns_r13.py` diagnostic scripts +exist in this repository, so there was no `$RPM`-based univariate `NNS.reg` +extraction to fix. The univariate regression-point diagnostic lives in +`tests/parity/test_r13_smoke.py` and already extracts regression points via +`NNS.reg(..., multivariate.call = TRUE)$y`, matching the supported R-side +extraction. + +### ARMA nonseasonal nonlinear reconciliation + +The suspected live mismatch (Python `[125.25, 107.75, 158.75, 213.66]` vs R +`[128.50, 113.50, 155.50, 213.66]`) was re-run against live vendored R NNS +13.0 before regeneration: + +- Live R `NNS.ARMA(series, h = 4, seasonal.factor = FALSE, method = "nonlin")` + on the 24-point AirPassengers-style series returned + `128.5, 113.5, 155.5, 213.6666666667`. +- Python `nns_arma(series, h=4, seasonal_factor=False, method="nonlin")` + returned `128.5, 113.5, 155.5, 213.66666667`. + +Python matches live R 13.0 exactly; the previously reported divergent Python +values could not be reproduced with the current implementation. The hardcoded +smoke expectations in `tests/parity/test_r13_smoke.py` (LPM/UPM, copulas, +regression points, seasonal ARMA, nonseasonal nonlinear ARMA, seeded stack) +were each verified against this fresh live R 13.0 run and required no changes. diff --git a/scripts/regenerate_r_cache.py b/scripts/regenerate_r_cache.py index 6277da52..67235180 100644 --- a/scripts/regenerate_r_cache.py +++ b/scripts/regenerate_r_cache.py @@ -3,21 +3,43 @@ CI should not run this script. It intentionally clears cache-only/offline toggles and invokes pytest so tests/_r.py can refresh tests/_r_cache.json as needed. + +Usage:: + + python scripts/regenerate_r_cache.py [--fresh] [-- PYTEST_ARGS...] + +By default, existing cache entries are reused and only cache misses call R. +With ``--fresh``, the existing ``tests/_r_cache.json`` is moved aside to +``tests/_r_cache.json.bak`` and regeneration starts from an empty cache, so +every entry is produced by a live R call. ``--fresh`` refuses to run in CI and +requires a working local R NNS install reporting ``packageVersion("NNS")`` of +13.0 (see ``scripts/install_local_r_nns.py``). """ from __future__ import annotations +import argparse import json import os +import shutil import subprocess import sys from pathlib import Path from typing import Any _CACHE_PATH = Path(__file__).resolve().parents[1] / "tests" / "_r_cache.json" +_CACHE_BACKUP_PATH = _CACHE_PATH.with_suffix(".json.bak") _NNS_VERSION = "13.0" _SCHEMA_VERSION = 1 +_OFFLINE_TOGGLES = ( + "PYNNS_R_CACHE_ONLY", + "NNS_R_CACHE_ONLY", + "PYNNS_OFFLINE", + "NNS_OFFLINE", + "CI", +) + def _validate_cache() -> int: if not _CACHE_PATH.exists(): @@ -71,15 +93,95 @@ def _validate_cache() -> int: ) return 1 + print(f"OK: {_CACHE_PATH} contains {len(entries)} entries for NNS {_NNS_VERSION}.") + return 0 + + +def _running_in_ci() -> bool: + return os.environ.get("CI", "").lower() in {"1", "true", "yes"} or bool( + os.environ.get("GITHUB_ACTIONS") + ) + + +def _verify_live_r_nns() -> int: + """Confirm a local R NNS install reports the expected version before a fresh run.""" + + rscript = shutil.which("Rscript") + if rscript is None: + print( + "ERROR: --fresh requires Rscript on PATH; " + "run scripts/install_local_r_nns.py first.", + file=sys.stderr, + ) + return 1 + probe = subprocess.run( + [ + rscript, + "-e", + "suppressPackageStartupMessages(library(NNS)); " + "cat(as.character(packageVersion('NNS')))", + ], + capture_output=True, + text=True, + check=False, + ) + if probe.returncode != 0: + print( + "ERROR: --fresh could not load R NNS:\n" + probe.stderr, + file=sys.stderr, + ) + return 1 + version = probe.stdout.strip() + if version != _NNS_VERSION: + print( + f"ERROR: --fresh requires R NNS {_NNS_VERSION!r}; " + f"installed version is {version!r}.", + file=sys.stderr, + ) + return 1 + print(f"OK: live R NNS {version} detected for fresh regeneration.") return 0 def main() -> int: + parser = argparse.ArgumentParser(description=__doc__) + parser.add_argument( + "--fresh", + action="store_true", + help=( + "Move the existing cache to tests/_r_cache.json.bak and regenerate every " + "entry from a live R call. Refuses to run in CI." + ), + ) + parser.add_argument( + "pytest_args", + nargs="*", + help="Arguments passed to pytest after an optional '--' separator.", + ) + parsed = parser.parse_args() + + if parsed.fresh: + if _running_in_ci(): + print( + "ERROR: --fresh must not run in CI; it deletes the committed cache " + "and requires a local R NNS install.", + file=sys.stderr, + ) + return 1 + verify_status = _verify_live_r_nns() + if verify_status: + return verify_status + if _CACHE_PATH.exists(): + _CACHE_PATH.replace(_CACHE_BACKUP_PATH) + print(f"Moved existing cache to {_CACHE_BACKUP_PATH}; starting from empty cache.") + else: + print("No existing cache found; starting from empty cache.") + env = os.environ.copy() - for name in ("PYNNS_R_CACHE_ONLY", "PYNNS_OFFLINE", "CI"): + for name in _OFFLINE_TOGGLES: env.pop(name, None) - args = sys.argv[1:] + args = parsed.pytest_args if args[:1] == ["--"]: args = args[1:] if not args: diff --git a/src/nns/arma.py b/src/nns/arma.py index bc6a0dd4..e3fb50f6 100644 --- a/src/nns/arma.py +++ b/src/nns/arma.py @@ -753,8 +753,10 @@ def _numeric_seasonal_weights( lags: NDArray[np.int64], ) -> NDArray[np.float64]: output = np.empty(lags.size, dtype=np.float64) - for index, lag in enumerate(lags): - rev_var = variable[:: -int(lag)] + for index in range(lags.size): + # R NNS 13.0 reverses by the candidate's POSITION in seasonal.factor + # (variable[seq(length(variable), 1, -i)]), not by its lag value. + rev_var = variable[:: -(index + 1)] with np.errstate(invalid="ignore", divide="ignore"): output[index] = abs( np.float64(np.std(rev_var, ddof=1)) / np.float64(np.mean(rev_var)) diff --git a/src/nns/boost.py b/src/nns/boost.py index 133fafcc..da4c9019 100644 --- a/src/nns/boost.py +++ b/src/nns/boost.py @@ -282,9 +282,11 @@ def _nns_boost_core( type=type_value, pred_int=pred_int, ) - estimates = np.asarray(final_fit["stack"], dtype=np.float64) - if estimates.size == 0 or np.any(np.isnan(estimates)): + stack_estimates = final_fit["stack"] + if stack_estimates is None or np.asarray(stack_estimates, dtype=np.float64).size == 0: estimates = np.asarray(final_fit["reg"], dtype=np.float64) + else: + estimates = np.asarray(stack_estimates, dtype=np.float64) estimates = _fill_nan_with_gravity(estimates) if type_value == "class": estimates = _round_clamp_classes(estimates, y_train) @@ -294,7 +296,6 @@ def _nns_boost_core( "pred.int": final_fit["pred.int"], "feature.weights": weights[order_idx], "feature.frequency": counts[order_idx], - "n.best": final_fit["NNS.reg.n.best"], } diff --git a/src/nns/distance.py b/src/nns/distance.py index e3450cf7..a96f6cda 100644 --- a/src/nns/distance.py +++ b/src/nns/distance.py @@ -41,6 +41,45 @@ def nns_distance( return float(np.dot(selected_y, weights)) +def nns_distance_path_single_bulk( + rpm: NDArray[np.float64], + x_test: NDArray[np.float64], + k: KValue, + class_: object | None = None, +) -> NDArray[np.float64]: + """Return R's NNS.distance.path.single.bulk predictions for many target rows. + + This mirrors the ``NNS_distance_path_single_parallel_cpp`` kernel, which + differs from the single-point ``NNS.distance`` kernel in its lognormal rank + weight (population sd of ranks instead of sample sd). + """ + features, y_hat = _split_rpm(rpm) + tests = _as_matrix(x_test, "x_test") + if tests.shape[1] != features.shape[1]: + raise ValueError("x_test column count must match rpm feature column count.") + + k_value = _resolve_k(k, features.shape[0]) + out = np.empty(tests.shape[0], dtype=np.float64) + for row_index, dest in enumerate(tests): + scaled_features, scaled_dest = _rescale_joint(features, dest) + distances = _distance_sum(scaled_features, scaled_dest, zero_eps=1e-10) + indices = np.argsort(distances, kind="mergesort") + selected = indices[:k_value] + selected_distances = distances[selected] + selected_y = y_hat[selected] + + if k_value == 1: + out[row_index] = float(selected_y[0]) + continue + + weights = _combined_weights(selected_distances, rank_sd_population=True) + if class_ is not None: + out[row_index] = _weighted_mode(selected_y, weights) + else: + out[row_index] = float(np.dot(selected_y, weights)) + return out + + def nns_distance_bulk( rpm: NDArray[np.float64], x_test: NDArray[np.float64], @@ -100,7 +139,11 @@ def _distance_sum( return distances -def _combined_weights(distances: NDArray[np.float64]) -> NDArray[np.float64]: +def _combined_weights( + distances: NDArray[np.float64], + *, + rank_sd_population: bool = False, +) -> NDArray[np.float64]: from scipy import stats # type: ignore[import-untyped] count = distances.size @@ -115,7 +158,12 @@ def _combined_weights(distances: NDArray[np.float64]) -> NDArray[np.float64]: lognormal = np.zeros(count, dtype=np.float64) if count >= 2: - sd_ranks = float(np.std(ranks, ddof=1)) + # R's single-point NNS.distance kernel uses the sample sd of ranks; the + # bulk path kernels use the population sd sqrt((k^2 - 1) / 12). + if rank_sd_population: + sd_ranks = float(np.sqrt((count * count - 1.0) / 12.0)) + else: + sd_ranks = float(np.std(ranks, ddof=1)) lognormal = np.abs(stats.lognorm.logpdf(ranks, s=sd_ranks, scale=1.0))[::-1] lognormal = _normalized(lognormal) diff --git a/src/nns/multivariate_regression.py b/src/nns/multivariate_regression.py index 6a185f7d..7918b096 100644 --- a/src/nns/multivariate_regression.py +++ b/src/nns/multivariate_regression.py @@ -8,7 +8,7 @@ from nns.central_tendencies import nns_mode from nns.dependence import _gravity -from nns.distance import KValue, nns_distance +from nns.distance import KValue, nns_distance, nns_distance_path_single_bulk from nns.part import NoiseReduction from nns.regression import Order, _normalize_type, _round_clamp_classes, nns_reg from nns.regression import _nns_copula_matrix as _copula_matrix @@ -78,10 +78,7 @@ def nns_m_reg( k = _resolve_n_best(n_best, x_values, y_values, rpm) if _k_as_count(k, rpm.shape[0]) > 1 and not point_only: - fitted_y = np.array( - [nns_distance(rpm, row, k, type_value) for row in x_values], - dtype=np.float64, - ) + fitted_y = nns_distance_path_single_bulk(rpm, x_values, k, type_value) if type_value == "class": fitted_y = _round_clamp_classes(fitted_y, y_values) residuals = fitted_y - y_values @@ -336,30 +333,46 @@ def _predict_points( minimums = np.min(x, axis=0) maximums = np.max(x, axis=0) central = np.array([_gravity(rpm[:, col]) for col in range(x.shape[1])], dtype=np.float64) - out = np.empty(point_est.shape[0], dtype=np.float64) - outsider_rows = np.flatnonzero(np.any((point_est < minimums) | (point_est > maximums), axis=1)) - for row_index, point in enumerate(point_est): - outsiders = (point < minimums) | (point > maximums) - if not np.any(outsiders): - out[row_index] = nns_distance(rpm, point, k, class_) - continue - if point_is_matrix and outsider_rows.size == 1: - # Installed R drops dimensions for one outsider row in the multi-point path: - # apply(as.matrix(point.est[i, ]), 1, f) passes scalar elements to f and - # vector assignment keeps the first result. Match that behavior. - scalar_point = np.full(point.shape, point[0], dtype=np.float64) - out[row_index] = _outside_prediction( - scalar_point, - minimums, - maximums, - central, - rpm, - k, - class_, + # NaN comparisons are already False, matching R's outsiders[is.na(outsiders)] <- 0. + outsider_mask = (point_est < minimums) | (point_est > maximums) + + if not point_is_matrix: + point = point_est[0] + if not np.any(outsider_mask[0]): + return np.array( + [nns_distance(rpm, point, k, class_)], + dtype=np.float64, ) - continue - out[row_index] = _outside_prediction(point, minimums, maximums, central, rpm, k, class_) - return out if point_is_matrix else out[:1] + return np.array( + [_outside_prediction(point, minimums, maximums, central, rpm, k, class_)], + dtype=np.float64, + ) + + out = nns_distance_path_single_bulk(rpm, point_est, k, class_) + outsider_rows = np.flatnonzero(np.any(outsider_mask, axis=1)) + if outsider_rows.size: + outside_points = point_est[outsider_rows, :] + boundary = np.minimum(np.maximum(outside_points, minimums), maximums) + mid = (boundary + central) / 2.0 + mid_2 = (boundary + mid) / 2.0 + + d1 = np.sqrt(np.sum((boundary - central) ** 2, axis=1)) + d2 = np.sqrt(np.sum((boundary - mid) ** 2, axis=1)) + d3 = np.sqrt(np.sum((boundary - mid_2) ** 2, axis=1)) + + boundary_est = nns_distance_path_single_bulk(rpm, boundary, k, class_) + mid_est = nns_distance_path_single_bulk(rpm, mid, k, class_) + mid_2_est = nns_distance_path_single_bulk(rpm, mid_2, k, class_) + central_est = nns_distance(rpm, central, k, class_) + + g1 = (boundary_est - central_est) / np.maximum(d1, 1e-10) + g2 = (boundary_est - mid_est) / np.maximum(d2, 1e-10) + g3 = (boundary_est - mid_2_est) / np.maximum(d3, 1e-10) + + last_gradient = (g1 * 3.0 + g2 * 2.0 + g3 * 1.0) / 6.0 + last_distance = np.sqrt(np.sum((outside_points - boundary) ** 2, axis=1)) + out[outsider_rows] = last_distance * last_gradient + boundary_est + return out def _outside_prediction( @@ -378,10 +391,13 @@ def _outside_prediction( gradients = [] for compare in (central, mid, mid_2): distance = float(np.sqrt(np.sum((boundary - compare) ** 2))) - if distance == 0.0: - gradients.append(0.0) - else: - gradients.append((boundary_est - nns_distance(rpm, compare, k, class_)) / distance) + with np.errstate(invalid="ignore", divide="ignore"): + gradients.append( + float( + np.float64(boundary_est - nns_distance(rpm, compare, k, class_)) + / np.float64(distance) + ) + ) last_gradient = float(np.dot(np.asarray(gradients), np.array([3.0, 2.0, 1.0])) / 6.0) last_distance = float(np.sqrt(np.sum((point - boundary) ** 2))) return last_distance * last_gradient + boundary_est diff --git a/src/nns/var.py b/src/nns/var.py index 65badf59..1f05fc2e 100644 --- a/src/nns/var.py +++ b/src/nns/var.py @@ -567,6 +567,8 @@ def lpm_var(percentile: float, degree: float, x: NDArray[np.float64]) -> float: pct = min(max(float(percentile), 0.0), 1.0) if degree == 0: return float(np.quantile(values, pct, method="linear")) + if _is_supported_integer_degree(degree): + return _lpm_var_integer(pct, int(degree), values) xmin = float(np.min(values)) xmax = float(np.max(values)) if xmin == xmax: @@ -589,6 +591,9 @@ def upm_var(percentile: float, degree: float, x: NDArray[np.float64]) -> float: pct = min(max(float(percentile), 0.0), 1.0) if degree == 0: return float(np.quantile(values, 1.0 - pct, method="linear")) + if _is_supported_integer_degree(degree): + # UPM.ratio(t) = p is equivalent to LPM.ratio(t) = 1 - p. + return _lpm_var_integer(1.0 - pct, int(degree), values) xmin = float(np.min(values)) xmax = float(np.max(values)) if xmin == xmax: @@ -605,6 +610,119 @@ def upm_var(percentile: float, degree: float, x: NDArray[np.float64]) -> float: return float(result.x) +_UNIROOT_TOL = float(np.finfo(float).eps ** 0.5) + + +def _is_supported_integer_degree(degree: float) -> bool: + return ( + math.isfinite(float(degree)) + and float(degree) == int(degree) + and 1 <= int(degree) <= 4 + ) + + +def _lpm_var_integer(pct: float, degree: int, values: NDArray[np.float64]) -> float: + """Exact integer-degree LPM VaR inversion matching R NNS 13.0. + + Mirrors R's ``.NNS_LPM_VaR_integer``: within an interval between sorted + unique observations, LPM_d(t) and UPM_d(t) are degree-d polynomials in t, + so VaR solves ``(1 - p) * LPM_d(t) - p * UPM_d(t) = 0`` exactly on the + located order-statistic interval. + """ + n = values.size + x_sorted = np.sort(values) + # Center at the sorted median: (t - x) is translation-invariant, so results + # are mathematically identical, but prefix powers are built at deviation + # scale, eliminating catastrophic cancellation for level-shifted data. + shift = float(x_sorted[(n + 1) // 2 - 1]) + x_sorted = x_sorted - shift + x_min = float(x_sorted[0]) + x_max = float(x_sorted[-1]) + if n == 1 or x_min == x_max: + return x_min + shift + + unique_x, counts = np.unique(x_sorted, return_counts=True) + k_break = np.cumsum(counts) + + prefix_power = np.zeros((degree + 1, unique_x.size), dtype=np.float64) + total_power = np.zeros(degree + 1, dtype=np.float64) + prefix_power[0] = k_break + total_power[0] = float(n) + for j in range(1, degree + 1): + x_power = x_sorted**j + prefix_power[j] = np.cumsum(x_power)[k_break - 1] + total_power[j] = float(np.sum(x_power)) + + lpm = np.zeros(unique_x.size, dtype=np.float64) + upm = np.zeros(unique_x.size, dtype=np.float64) + for j in range(degree + 1): + coef = float(math.comb(degree, j)) + lpm += coef * (-1.0) ** j * unique_x ** (degree - j) * prefix_power[j] + suffix_power = total_power[j] - prefix_power[j] + upm += coef * (-1.0) ** (degree - j) * unique_x ** (degree - j) * suffix_power + + with np.errstate(invalid="ignore", divide="ignore"): + ratio_break = lpm / (lpm + upm) + ratio_break[np.isnan(ratio_break)] = 0.0 + ratio_break = np.clip(ratio_break, 0.0, 1.0) + # Protect interval location from tiny floating-point non-monotonicity. + ratio_break = np.maximum.accumulate(ratio_break) + ratio_break[0] = 0.0 + ratio_break[-1] = 1.0 + + if pct <= 0.0: + return x_min + shift + if pct >= 1.0: + return x_max + shift + + interval = int(np.searchsorted(ratio_break, pct, side="right")) + interval = max(interval, 1) + interval = min(interval, unique_x.size - 1) + + lower = float(unique_x[interval - 1]) + upper = float(unique_x[interval]) + if lower == upper: + return lower + shift + + interval_prefix = prefix_power[:, interval - 1] + + def root_value(t: float) -> float: + lpm_raw = 0.0 + upm_raw = 0.0 + for j in range(degree + 1): + coef = float(math.comb(degree, j)) + lpm_raw += coef * (-1.0) ** j * t ** (degree - j) * float(interval_prefix[j]) + suffix = float(total_power[j]) - float(interval_prefix[j]) + upm_raw += coef * (-1.0) ** (degree - j) * t ** (degree - j) * suffix + return (1.0 - pct) * lpm_raw - pct * upm_raw + + f_lower = root_value(lower) + f_upper = root_value(upper) + tol = _UNIROOT_TOL + + if math.isfinite(f_lower) and abs(f_lower) <= tol: + return lower + shift + if math.isfinite(f_upper) and abs(f_upper) <= tol: + return upper + shift + + if math.isfinite(f_lower) and math.isfinite(f_upper) and f_lower * f_upper <= 0.0: + from scipy.optimize import brentq + + root = float(brentq(root_value, lower, upper, xtol=tol)) + return min(max(root, lower), upper) + shift + + # Numerical safety fallback, mirroring R's optimize() on |f|. + from scipy.optimize import minimize_scalar + + result = minimize_scalar( + lambda t: abs(root_value(t)), + bounds=(lower, upper), + method="bounded", + options={"xatol": _R_OPTIMIZE_TOL}, + ) + return min(max(float(result.x), lower), upper) + shift + + def _finite_values(x: NDArray[np.float64]) -> NDArray[np.float64]: values = np.asarray(x, dtype=np.float64) finite = values[np.isfinite(values)] diff --git a/tests/_r_cache.json b/tests/_r_cache.json index 085a0f23..487fca90 100644 --- a/tests/_r_cache.json +++ b/tests/_r_cache.json @@ -540,7 +540,7 @@ ] ] }, - "0093e53ac14848de438403f6eadb762e58f1b57b26d486abf3573478c7949559": 9.9999296475848, + 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+852878,7 @@ "cov.matrix": [ [ 3.76609867652436, - 0.834075668107259, + 0.83407566810726, -0.249380202692651 ], [ diff --git a/tests/invariants/test_boost.py b/tests/invariants/test_boost.py index 038559ae..6b0c5d59 100644 --- a/tests/invariants/test_boost.py +++ b/tests/invariants/test_boost.py @@ -88,7 +88,7 @@ def test_nns_boost_multiple_factor_predictors_are_positional(features_only: bool assert set(result) == ( {"feature.weights", "feature.frequency"} if features_only - else {"results", "pred.int", "feature.weights", "feature.frequency", "n.best"} + else {"results", "pred.int", "feature.weights", "feature.frequency"} ) assert np.sum(result["feature.weights"]) == pytest.approx(1.0) if not features_only: diff --git a/tests/parity/test_boost.py b/tests/parity/test_boost.py index 2dc855ce..06921d69 100644 --- a/tests/parity/test_boost.py +++ b/tests/parity/test_boost.py @@ -294,7 +294,6 @@ def test_nns_boost_stochastic_epoch_path_matches_r_structure() -> None: ) assert np.asarray(actual["feature.weights"], dtype=np.float64).ndim == 1 assert np.asarray(actual["feature.frequency"], dtype=np.float64).ndim == 1 - assert np.asarray(actual["n.best"], dtype=np.float64).size > 0 assert actual["pred.int"] is None @@ -337,7 +336,6 @@ def test_nns_boost_stochastic_epoch_ts_test_matches_r_structure() -> None: ) assert np.asarray(actual["feature.weights"], dtype=np.float64).ndim == 1 assert np.asarray(actual["feature.frequency"], dtype=np.float64).ndim == 1 - assert np.asarray(actual["n.best"], dtype=np.float64).size > 0 assert actual["pred.int"] is None @@ -547,7 +545,7 @@ def test_nns_boost_binary_class_matches_r(depth: int | None) -> None: feature_importance=False, ) - _assert_boost_matches(actual, expected, exact_n_best=False) + _assert_boost_matches(actual, expected) @pytest.mark.parity @@ -581,7 +579,7 @@ def test_nns_boost_binary_class_pred_int_matches_r(depth: int) -> None: feature_importance=False, ) - _assert_boost_matches(actual, expected, exact_n_best=False) + _assert_boost_matches(actual, expected) assert isinstance(actual["pred.int"], dict) assert set(actual["pred.int"]) == {"lower.pred.int", "upper.pred.int"} assert all(values.shape == actual["results"].shape for values in actual["pred.int"].values()) @@ -615,7 +613,7 @@ def test_nns_boost_multiclass_matches_r(depth: int) -> None: feature_importance=False, ) - _assert_boost_matches(actual, expected, exact_n_best=False) + _assert_boost_matches(actual, expected) @pytest.mark.parity @@ -681,7 +679,7 @@ def test_nns_boost_factor_like_class_matches_r() -> None: feature_importance=False, ) - _assert_boost_matches(actual, expected, exact_n_best=False) + _assert_boost_matches(actual, expected) @pytest.mark.parity @@ -724,8 +722,6 @@ def test_nns_boost_class_stable_metadata_matches_r_when_n_best_is_structural() - expected_dict["feature.frequency"], atol=COMPOUND, ) - assert np.asarray(actual["n.best"], dtype=np.float64).size > 0 - assert np.asarray(expected_dict["n.best"], dtype=np.float64).size > 0 @pytest.mark.parity @@ -981,19 +977,10 @@ def test_nns_boost_raw_character_class_raises() -> None: nns_boost(variable, labels, variable[:3], type="class", cv_size=0.25) -def _assert_boost_matches( - actual: dict[str, Any], - expected: Any, - *, - exact_n_best: bool = True, -) -> None: +def _assert_boost_matches(actual: dict[str, Any], expected: Any) -> None: assert isinstance(expected, dict) assert set(actual) == set(expected) for key in actual: - if key == "n.best" and not exact_n_best: - assert np.asarray(actual[key], dtype=np.float64).size > 0 - assert np.asarray(expected[key], dtype=np.float64).size > 0 - continue _assert_nested_numeric_close(actual[key], expected[key]) @@ -1043,5 +1030,3 @@ def _assert_boost_class_structure( assert np.asarray(expected["feature.weights"], dtype=np.float64).ndim == 1 assert np.asarray(actual["feature.frequency"], dtype=np.float64).ndim == 1 assert np.asarray(expected["feature.frequency"], dtype=np.float64).ndim == 1 - assert np.asarray(actual["n.best"], dtype=np.float64).size > 0 - assert np.asarray(expected["n.best"], dtype=np.float64).size > 0 diff --git a/tests/parity/test_practical_examples.py b/tests/parity/test_practical_examples.py index 55ec5804..25ba9df4 100644 --- a/tests/parity/test_practical_examples.py +++ b/tests/parity/test_practical_examples.py @@ -215,8 +215,11 @@ def test_iris_stack_classification_vignette_predicts_holdout_class() -> None: @pytest.mark.practical @pytest.mark.xfail( reason=( - "Installed R NNS 13.0 and NNS Python balanced Iris boost remain a true " - "diagnostic parity gap; both miss the all-class-3 holdout." + "Stochastic sampling gap: balanced NNS.boost draws CV indices, feature " + "subsets, and up/down-sampled class rows from R's RNG, which NNS Python " + "cannot reproduce bit-for-bit with NumPy's RNG. Both implementations " + "miss the all-class-3 holdout; deterministic boost paths are covered " + "by the strict parity tests in test_boost.py." ), strict=True, ) @@ -238,19 +241,11 @@ def test_iris_boost_classification_vignette_gap_is_explicit() -> None: assert not np.array_equal(_array(actual["results"]), _array(expected_boost["results"])) assert not np.array_equal(_array(actual["results"]), y_test) assert not np.array_equal(_array(expected_boost["results"]), y_test) - assert set(actual) == {"results", "feature_weights", "feature_frequency", "n_best"} + assert set(actual) == {"results", "feature_weights", "feature_frequency"} @pytest.mark.parity @pytest.mark.practical -@pytest.mark.xfail( - reason=( - "Intentional ARMA weighting divergence: installed R weights numeric " - "multi-lag seasonal factors using reverse steps 1:length(lags), while " - "NNS Python weights each candidate using its actual lag." - ), - strict=True, -) def test_sunspots_arma_example_matches_installed_r() -> None: expected = _r_sunspots_arma_example() actual = nns_arma( @@ -260,21 +255,11 @@ def test_sunspots_arma_example_matches_installed_r() -> None: method="lin", ) - # This documents the installed-R compatibility delta, not a target fix. - # NNS Python uses the actual seasonal factors when estimating lag strength; - # installed R uses the seasonal factor's position in the input vector. np.testing.assert_allclose(actual, _array(expected["estimates"]), atol=COMPOUND) @pytest.mark.parity @pytest.mark.practical -@pytest.mark.xfail( - reason=( - "Remaining macro-like NNS.VAR difference is inherited from the " - "documented ARMA numeric multi-lag weighting divergence." - ), - strict=True, -) def test_var_macro_like_example_matches_installed_r() -> None: expected = _r_var_macro_like_example() actual = nns_var(_matrix(expected["variables"]), h=4, tau=3, ncores=1, status=False) @@ -317,7 +302,6 @@ def _iris_boost_diagnostics(expected: dict[str, Any]) -> dict[str, object]: "results": np.asarray(boost["results"], dtype=np.float64), "feature_weights": np.asarray(boost["feature.weights"], dtype=np.float64), "feature_frequency": np.asarray(boost["feature.frequency"], dtype=np.float64), - "n_best": float(boost["n.best"]), } @@ -562,8 +546,7 @@ def _r_iris_classification_vignette() -> dict[str, Any]: boost = list( results = as.numeric(boost$results), feature_weights = as.numeric(boost$feature.weights), - feature_frequency = as.numeric(boost$feature.frequency), - n_best = as.numeric(boost$n.best) + feature_frequency = as.numeric(boost$feature.frequency) ), stack = list( results = as.numeric(stacked$stack),