Download libs/adaptive/weight_schedule.py from QPromaQ/Docking_project: direct link, hf CLI and curl.
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https://huggingface.co/datasets/QPromaQ/Docking_project/resolve/main/libs/adaptive/weight_schedule.py
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1.45 kB
| from __future__ import annotations | |
| from dataclasses import dataclass | |
| from typing import Sequence | |
| class WeightScheduleConfig: | |
| sample_knots: tuple[int, int, int, int] = (20, 50, 100, 200) | |
| weight_knots: tuple[float, float, float, float] = (0.1, 0.3, 0.5, 0.8) | |
| max_weight: float = 0.9 | |
| min_weight: float = 0.05 | |
| instability_threshold: float = 2.0 | |
| instability_decay: float = 0.25 | |
| def _interp(x: float, xs: Sequence[float], ys: Sequence[float]) -> float: | |
| if x <= xs[0]: | |
| return float(ys[0]) | |
| if x >= xs[-1]: | |
| return float(ys[-1]) | |
| for i in range(1, len(xs)): | |
| if x <= xs[i]: | |
| x0, x1 = xs[i - 1], xs[i] | |
| y0, y1 = ys[i - 1], ys[i] | |
| t = (x - x0) / max(1e-9, (x1 - x0)) | |
| return float(y0 + t * (y1 - y0)) | |
| return float(ys[-1]) | |
| def compute_model_weight( | |
| n_samples: int, | |
| instability_ratio: float = 1.0, | |
| config: WeightScheduleConfig | None = None, | |
| ) -> float: | |
| cfg = config or WeightScheduleConfig() | |
| base = _interp(float(n_samples), cfg.sample_knots, cfg.weight_knots) | |
| if n_samples > cfg.sample_knots[-1]: | |
| extra = min(cfg.max_weight - base, 0.05 * (n_samples - cfg.sample_knots[-1]) / 100.0) | |
| base += max(0.0, extra) | |
| if instability_ratio > cfg.instability_threshold: | |
| base *= max(0.1, 1.0 - cfg.instability_decay) | |
| base = max(cfg.min_weight, min(cfg.max_weight, base)) | |
| return float(base) | |