"""Decision metrics and calibration, with no training-library dependency. Binary (Noul) rows use [P(false), P(true)]. Rows may have different class counts. Calibration must be fitted on the calibration split, never test data. """ import math from numbers import Integral from typing import Sequence Target = int | Sequence[float] def sigmoid(value: float) -> float: """Numerically stable binary probability.""" if math.isnan(value): raise ValueError("sigmoid input must not be NaN") if value >= 0: return 1.0 / (1.0 + math.exp(-value)) exponential = math.exp(value) return exponential / (1.0 + exponential) def softmax(logits: Sequence[float], temperature: float = 1.0) -> list[float]: """Stable softmax; -inf is allowed for masked classes.""" if not math.isfinite(temperature) or temperature <= 0: raise ValueError("temperature must be finite and positive") if not logits or any(math.isnan(x) or x == math.inf for x in logits): raise ValueError("logits must be nonempty and contain no NaN or +inf") maximum = max(logits) if maximum == -math.inf: raise ValueError("at least one logit must be finite") weights = [math.exp((value - maximum) / temperature) for value in logits] total = sum(weights) return [weight / total for weight in weights] def _distribution(values: Sequence[float]) -> list[float]: result = [float(value) for value in values] if not result or any(not math.isfinite(x) or x < 0 for x in result): raise ValueError("probabilities must be nonempty, finite and nonnegative") total = sum(result) if not math.isclose(total, 1.0, rel_tol=1e-6, abs_tol=1e-6): raise ValueError("probabilities must sum to one") return [value / total for value in result] def _target_distribution(target: Target, count: int) -> list[float]: if isinstance(target, Integral): if target < 0 or target >= count: raise ValueError("target class is outside the candidate set") return [float(index == target) for index in range(count)] result = _distribution(target) if len(result) != count: raise ValueError("target and probability class counts differ") return result def _confidence_distribution(probs: Sequence[float]) -> list[float]: # Match the official adapter's handling of unnormalized and zero-total input. values = [float(value) for value in probs] if not values or any(not math.isfinite(x) or x < 0 for x in values): raise ValueError("confidence inputs must be finite and nonnegative") total = sum(values) return [value / total for value in values] if total else [1.0 / len(values)] * len(values) def choice_confidence(probs: Sequence[float]) -> float: """Official system-one-adapter formula, not calibrated correctness. Reference commit: adffc2eab300a4fa3c0e92252d4ffd6ceaa53700. """ probabilities = _confidence_distribution(probs) if len(probabilities) == 1: return 1.0 uniform = 1.0 / len(probabilities) return (max(probabilities) - uniform) / (1.0 - uniform) def score_confidence(probs: Sequence[float]) -> float: """Official adapter's concentration around the first modal ordinal level.""" probabilities = _confidence_distribution(probs) count = len(probabilities) if count == 1: return 1.0 mode = max(range(count), key=probabilities.__getitem__) distance = sum(prob * abs(index - mode) for index, prob in enumerate(probabilities)) center = (count - 1) / 2 uniform_deviation = sum(abs(index - center) for index in range(count)) / count return max(0.0, 1.0 - distance / uniform_deviation) def evaluate_probabilities( targets: Sequence[Target], probs: Sequence[Sequence[float]], *, n_bins: int = 15, thresholds: Sequence[float] = (0.5, 0.7, 0.8, 0.9, 0.95, 0.99), ) -> dict: """Evaluate hard labels and soft target distributions without fake labels. `accuracy` uses only integer or exactly one-hot targets; it is None when none exist. `expected_accuracy` uses target mass at the predicted class. `brier` is sum-of-squares distance to the target distribution. The separate `expected_brier` is expected one-hot Brier loss under soft target outcomes. NLL floors probabilities at 1e-15. Multiclass ECE is top-label ECE using equal-width bins and expected correctness for soft targets. Coverage uses max probability, not either TypeSafe confidence formula. """ if len(targets) != len(probs) or not targets: raise ValueError("targets and probabilities must have equal nonzero length") if not isinstance(n_bins, Integral) or n_bins <= 0: raise ValueError("n_bins must be a positive integer") if any(not math.isfinite(t) or not 0 <= t <= 1 for t in thresholds): raise ValueError("coverage thresholds must be in [0, 1]") bins = [[0, 0.0, 0.0] for _ in range(n_bins)] observations = [] nll = brier = expected_brier = 0.0 for target, row in zip(targets, probs): probability = _distribution(row) truth = _target_distribution(target, len(probability)) prediction = max(range(len(probability)), key=probability.__getitem__) confidence = probability[prediction] expected_correct = truth[prediction] hard = max(truth) == 1.0 observations.append((confidence, expected_correct, hard)) nll -= sum(q * math.log(max(p, 1e-15)) for q, p in zip(truth, probability)) squared_distance = sum((p - q) ** 2 for p, q in zip(probability, truth)) brier += squared_distance expected_brier += squared_distance + 1.0 - sum(q * q for q in truth) bucket = bins[min(int(confidence * n_bins), n_bins - 1)] bucket[0] += 1 bucket[1] += confidence bucket[2] += expected_correct def summarize(rows: list) -> dict: selected = len(rows) hard_rows = [correct for _, correct, hard in rows if hard] expected_accuracy = sum(row[1] for row in rows) / selected if selected else None return { "selected": selected, "coverage": selected / len(observations), "accuracy": sum(hard_rows) / len(hard_rows) if hard_rows else None, "expected_accuracy": expected_accuracy, "expected_risk": 1.0 - expected_accuracy if selected else None, } overall = summarize(observations) return { "count": len(observations), "hard_count": sum(row[2] for row in observations), "accuracy": overall["accuracy"], "expected_accuracy": overall["expected_accuracy"], "nll": nll / len(observations), "brier": brier / len(observations), "expected_brier": expected_brier / len(observations), "multiclass_ece": sum(abs(confidence - correct) for _, confidence, correct in bins) / len(observations), "ece_bins": n_bins, "coverage": [ {"threshold": threshold, **summarize([row for row in observations if row[0] >= threshold])} for threshold in thresholds ], } def fit_temperature( logits: Sequence[Sequence[float]], targets: Sequence[Target], *, min_temperature: float = 0.05, max_temperature: float = 20.0, grid_size: int = 25, refine_steps: int = 24, ) -> float: """Fit one positive temperature by calibration-set cross entropy. Pure Python log-spaced grid followed by golden-section refinement. Inputs are validated once, and target-weighted logits are precomputed. Fit once on the calibration split, freeze the returned float, and use it on test. """ if len(logits) != len(targets) or not logits: raise ValueError("logits and targets must have equal nonzero length") if not (math.isfinite(min_temperature) and math.isfinite(max_temperature) and 0 < min_temperature < max_temperature): raise ValueError("temperature bounds must be finite, positive and ordered") if not isinstance(grid_size, Integral) or grid_size < 3 or not isinstance(refine_steps, Integral) or refine_steps < 0: raise ValueError("grid_size must be >= 3 and refine_steps must be >= 0") prepared = [] for row, target in zip(logits, targets): if not row or any(not math.isfinite(value) for value in row): raise ValueError("calibration logits must be nonempty and finite") truth = _target_distribution(target, len(row)) maximum = max(row) shifted = [value - maximum for value in row] prepared.append((shifted, sum(q * value for q, value in zip(truth, shifted)))) def loss(log_temperature: float) -> float: inverse = math.exp(-log_temperature) return sum( math.log(sum(math.exp(value * inverse) for value in row)) - expected * inverse for row, expected in prepared ) / len(prepared) lower, upper = math.log(min_temperature), math.log(max_temperature) grid = [lower + index * (upper - lower) / (grid_size - 1) for index in range(grid_size)] if lower <= 0 <= upper: grid = sorted(set(grid + [0.0])) losses = [loss(point) for point in grid] best = min(range(len(grid)), key=lambda index: (losses[index], abs(grid[index]))) candidates = [(losses[best], grid[best])] left, right = grid[max(0, best - 1)], grid[min(len(grid) - 1, best + 1)] ratio = (math.sqrt(5) - 1) / 2 first, second = right - ratio * (right - left), left + ratio * (right - left) first_loss, second_loss = loss(first), loss(second) for _ in range(refine_steps): if first_loss < second_loss: right, second, second_loss = second, first, first_loss first = right - ratio * (right - left) first_loss = loss(first) else: left, first, first_loss = first, second, second_loss second = left + ratio * (right - left) second_loss = loss(second) candidates.extend([(first_loss, first), (second_loss, second)]) return math.exp(min(candidates, key=lambda candidate: (candidate[0], abs(candidate[1])))[1])