Upload code/hybrid_redshift.py
Browse files- code/hybrid_redshift.py +1278 -0
code/hybrid_redshift.py
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|
| 1 |
+
from __future__ import annotations
|
| 2 |
+
|
| 3 |
+
import argparse
|
| 4 |
+
import hashlib
|
| 5 |
+
import json
|
| 6 |
+
import math
|
| 7 |
+
import os
|
| 8 |
+
import time
|
| 9 |
+
from dataclasses import dataclass
|
| 10 |
+
from pathlib import Path
|
| 11 |
+
from typing import Any
|
| 12 |
+
|
| 13 |
+
import matplotlib
|
| 14 |
+
|
| 15 |
+
matplotlib.use("Agg")
|
| 16 |
+
|
| 17 |
+
import matplotlib.pyplot as plt
|
| 18 |
+
import numpy as np
|
| 19 |
+
import torch
|
| 20 |
+
import torch.nn.functional as F
|
| 21 |
+
from torch import nn
|
| 22 |
+
from torch.optim import AdamW
|
| 23 |
+
from torch.utils.data import DataLoader, WeightedRandomSampler
|
| 24 |
+
from tqdm import tqdm
|
| 25 |
+
|
| 26 |
+
from .data import SpectraListDataset, collect_mmu_desi, compute_sample_stats, split_indices, valid_pixel_mask
|
| 27 |
+
from .metrics import LossConfig, masked_huber, redshift_losses, redshift_metrics
|
| 28 |
+
from .model import fourier_loglam
|
| 29 |
+
from .plots import plot_reconstruction_batch, plot_redshift_scatter
|
| 30 |
+
|
| 31 |
+
|
| 32 |
+
@dataclass
|
| 33 |
+
class RawCollatorConfig:
|
| 34 |
+
target_length: int = 4096
|
| 35 |
+
min_scale: float = 1e-3
|
| 36 |
+
random_mask_ratio: float = 0.0
|
| 37 |
+
eval_mask_ratio: float = 0.25
|
| 38 |
+
mask_mode: str = "pixel"
|
| 39 |
+
mask_span_min: int = 16
|
| 40 |
+
mask_span_max: int = 64
|
| 41 |
+
line_region_percentile: float = 90.0
|
| 42 |
+
augment_ood: bool = False
|
| 43 |
+
crop_prob: float = 0.0
|
| 44 |
+
bad_window_prob: float = 0.0
|
| 45 |
+
throughput_prob: float = 0.0
|
| 46 |
+
noise_prob: float = 0.0
|
| 47 |
+
resolution_prob: float = 0.0
|
| 48 |
+
downsample_prob: float = 0.0
|
| 49 |
+
line_dropout_prob: float = 0.0
|
| 50 |
+
span_dropout_prob: float = 0.0
|
| 51 |
+
redshift_shift: float = 0.0
|
| 52 |
+
|
| 53 |
+
|
| 54 |
+
class RawSpectraCollator:
|
| 55 |
+
def __init__(self, cfg: RawCollatorConfig, train: bool = True, seed: int = 17):
|
| 56 |
+
self.cfg = cfg
|
| 57 |
+
self.train = train
|
| 58 |
+
self.seed = seed
|
| 59 |
+
self.rng = np.random.default_rng(seed)
|
| 60 |
+
|
| 61 |
+
def __call__(self, samples: list[dict[str, Any]]) -> dict[str, torch.Tensor]:
|
| 62 |
+
items = [self._prepare_sample(s) for s in samples]
|
| 63 |
+
x = np.stack([item["x"] for item in items], axis=0).astype(np.float32)
|
| 64 |
+
valid = np.stack([item["valid"] for item in items], axis=0).astype(np.bool_)
|
| 65 |
+
loglam = np.stack([item["loglam"] for item in items], axis=0).astype(np.float32)
|
| 66 |
+
target_flux = np.stack([item["target_flux"] for item in items], axis=0).astype(np.float32)
|
| 67 |
+
loss_mask = np.stack([item["loss_mask"] for item in items], axis=0).astype(np.bool_)
|
| 68 |
+
line_weight = np.stack([item["line_weight"] for item in items], axis=0).astype(np.float32)
|
| 69 |
+
line_region = np.stack([item["line_region"] for item in items], axis=0).astype(np.bool_)
|
| 70 |
+
z = np.asarray([item["z"] for item in items], dtype=np.float32)
|
| 71 |
+
y = np.asarray([item["y"] for item in items], dtype=np.float32)
|
| 72 |
+
zwarn = np.asarray([item["zwarn"] for item in items], dtype=np.bool_)
|
| 73 |
+
return {
|
| 74 |
+
"x": torch.from_numpy(x),
|
| 75 |
+
"valid": torch.from_numpy(valid),
|
| 76 |
+
"loglam": torch.from_numpy(loglam),
|
| 77 |
+
"target_flux": torch.from_numpy(target_flux),
|
| 78 |
+
"loss_mask": torch.from_numpy(loss_mask),
|
| 79 |
+
"line_weight": torch.from_numpy(line_weight),
|
| 80 |
+
"line_region": torch.from_numpy(line_region),
|
| 81 |
+
"z": torch.from_numpy(z),
|
| 82 |
+
"y": torch.from_numpy(y),
|
| 83 |
+
"zwarn": torch.from_numpy(zwarn),
|
| 84 |
+
}
|
| 85 |
+
|
| 86 |
+
def _prepare_sample(self, sample: dict[str, Any]) -> dict[str, Any]:
|
| 87 |
+
rng = self.rng if self.train else self._eval_rng(sample)
|
| 88 |
+
flux = np.asarray(sample["flux"], dtype=np.float32).copy()
|
| 89 |
+
ivar = np.asarray(sample["ivar"], dtype=np.float32).copy()
|
| 90 |
+
lam = np.asarray(sample["lambda"], dtype=np.float32)
|
| 91 |
+
lsf = np.asarray(sample["lsf_sigma"], dtype=np.float32)
|
| 92 |
+
bad = np.asarray(sample["bad_mask"], dtype=np.bool_).copy()
|
| 93 |
+
|
| 94 |
+
if self.cfg.augment_ood:
|
| 95 |
+
bad = self._augment_bad_windows(bad, rng)
|
| 96 |
+
flux = self._augment_flux_calibration(flux, lam, rng)
|
| 97 |
+
flux = self._augment_resolution(flux, rng)
|
| 98 |
+
flux, ivar = self._augment_downsample_resample(flux, ivar, lam, rng)
|
| 99 |
+
flux = self._augment_noise(flux, ivar, rng)
|
| 100 |
+
|
| 101 |
+
valid = np.isfinite(flux) & np.isfinite(ivar) & np.isfinite(lam) & (ivar > 0) & (~bad)
|
| 102 |
+
loglam = np.log(np.clip(lam.astype(np.float64), 1.0, None)).astype(np.float32)
|
| 103 |
+
if valid.sum() < 16:
|
| 104 |
+
valid = valid_pixel_mask(sample)
|
| 105 |
+
|
| 106 |
+
grid = np.linspace(float(np.nanmin(loglam)), float(np.nanmax(loglam)), self.cfg.target_length, dtype=np.float32)
|
| 107 |
+
flux_grid = self._interp_valid(loglam, flux, valid, grid, fill=0.0)
|
| 108 |
+
ivar_grid = self._interp_valid(loglam, ivar, valid, grid, fill=0.0)
|
| 109 |
+
lsf_grid = self._interp_valid(loglam, lsf, valid, grid, fill=0.0)
|
| 110 |
+
valid_grid = np.interp(grid, loglam, valid.astype(np.float32), left=0.0, right=0.0) > 0.5
|
| 111 |
+
|
| 112 |
+
center = float(np.nanmedian(flux_grid[valid_grid])) if valid_grid.any() else 0.0
|
| 113 |
+
dev = np.abs(flux_grid[valid_grid] - center) if valid_grid.any() else np.asarray([1.0], dtype=np.float32)
|
| 114 |
+
scale = float(np.nanmedian(dev) * 1.4826)
|
| 115 |
+
if not math.isfinite(scale) or scale < self.cfg.min_scale:
|
| 116 |
+
scale = max(float(np.nanmedian(np.abs(flux_grid[valid_grid]))) if valid_grid.any() else 1.0, self.cfg.min_scale)
|
| 117 |
+
|
| 118 |
+
norm_flux = np.arcsinh((flux_grid - center) / scale).astype(np.float32)
|
| 119 |
+
norm_ivar = np.log1p(np.maximum(ivar_grid * scale * scale, 0.0)).astype(np.float32)
|
| 120 |
+
norm_ivar = np.clip(norm_ivar / 8.0, 0.0, 4.0)
|
| 121 |
+
lsf_norm = np.nan_to_num(lsf_grid / 3.0, nan=0.0, posinf=0.0, neginf=0.0).astype(np.float32)
|
| 122 |
+
loglam_norm = ((grid - math.log(6000.0)) / 0.45).astype(np.float32)
|
| 123 |
+
|
| 124 |
+
grad = np.gradient(norm_flux, grid).astype(np.float32)
|
| 125 |
+
good_grad = np.abs(grad[valid_grid])
|
| 126 |
+
grad_scale = float(np.percentile(good_grad, 95)) if len(good_grad) else 1.0
|
| 127 |
+
if not math.isfinite(grad_scale) or grad_scale <= 0:
|
| 128 |
+
grad_scale = 1.0
|
| 129 |
+
grad = np.clip(grad / grad_scale, -5.0, 5.0).astype(np.float32)
|
| 130 |
+
abs_grad = np.abs(grad).astype(np.float32)
|
| 131 |
+
|
| 132 |
+
target_flux = norm_flux.copy()
|
| 133 |
+
line_weight = self._line_weights(abs_grad, valid_grid)
|
| 134 |
+
line_region = self._line_region(abs_grad, valid_grid)
|
| 135 |
+
corrupt = self._sample_input_dropout(abs_grad, valid_grid, rng)
|
| 136 |
+
if corrupt.any():
|
| 137 |
+
norm_flux = norm_flux.copy()
|
| 138 |
+
grad = grad.copy()
|
| 139 |
+
abs_grad = abs_grad.copy()
|
| 140 |
+
norm_flux[corrupt] = 0.0
|
| 141 |
+
grad[corrupt] = 0.0
|
| 142 |
+
abs_grad[corrupt] = 0.0
|
| 143 |
+
|
| 144 |
+
y = math.log1p(float(sample["z"]))
|
| 145 |
+
if self.train and self.cfg.redshift_shift > 0:
|
| 146 |
+
delta = float(self.rng.uniform(-self.cfg.redshift_shift, self.cfg.redshift_shift))
|
| 147 |
+
y = max(0.0, y + delta)
|
| 148 |
+
grid = (grid + delta).astype(np.float32)
|
| 149 |
+
loglam_norm = ((grid - math.log(6000.0)) / 0.45).astype(np.float32)
|
| 150 |
+
|
| 151 |
+
x = np.stack(
|
| 152 |
+
[
|
| 153 |
+
norm_flux,
|
| 154 |
+
norm_ivar,
|
| 155 |
+
valid_grid.astype(np.float32),
|
| 156 |
+
lsf_norm,
|
| 157 |
+
loglam_norm,
|
| 158 |
+
grad,
|
| 159 |
+
abs_grad,
|
| 160 |
+
corrupt.astype(np.float32),
|
| 161 |
+
],
|
| 162 |
+
axis=0,
|
| 163 |
+
)
|
| 164 |
+
return {
|
| 165 |
+
"x": x,
|
| 166 |
+
"valid": valid_grid,
|
| 167 |
+
"loglam": grid,
|
| 168 |
+
"target_flux": target_flux,
|
| 169 |
+
"loss_mask": corrupt & valid_grid,
|
| 170 |
+
"line_weight": line_weight,
|
| 171 |
+
"line_region": line_region,
|
| 172 |
+
"z": sample["z"],
|
| 173 |
+
"y": np.float32(y),
|
| 174 |
+
"zwarn": sample["zwarn"],
|
| 175 |
+
}
|
| 176 |
+
|
| 177 |
+
def _eval_rng(self, sample: dict[str, Any]) -> np.random.Generator:
|
| 178 |
+
object_id = str(sample.get("object_id", ""))
|
| 179 |
+
lam = np.asarray(sample["lambda"], dtype=np.float32)
|
| 180 |
+
key = f"{self.seed}|{object_id}|{float(sample['z']):.8g}|{len(lam)}|{float(lam[0]):.4f}|{float(lam[-1]):.4f}"
|
| 181 |
+
digest = hashlib.blake2b(key.encode("utf-8"), digest_size=8).digest()
|
| 182 |
+
return np.random.default_rng(int.from_bytes(digest, "little", signed=False))
|
| 183 |
+
|
| 184 |
+
def _interp_valid(self, x: np.ndarray, y: np.ndarray, valid: np.ndarray, x_new: np.ndarray, fill: float) -> np.ndarray:
|
| 185 |
+
good = valid & np.isfinite(x) & np.isfinite(y)
|
| 186 |
+
if good.sum() < 2:
|
| 187 |
+
return np.full_like(x_new, fill, dtype=np.float32)
|
| 188 |
+
return np.interp(x_new, x[good], y[good], left=fill, right=fill).astype(np.float32)
|
| 189 |
+
|
| 190 |
+
def _augment_bad_windows(self, bad: np.ndarray, rng: np.random.Generator) -> np.ndarray:
|
| 191 |
+
out = bad.copy()
|
| 192 |
+
n = len(out)
|
| 193 |
+
if rng.random() < self.cfg.crop_prob:
|
| 194 |
+
frac = float(rng.uniform(0.62, 0.96))
|
| 195 |
+
width = max(32, int(n * frac))
|
| 196 |
+
start = int(rng.integers(0, max(1, n - width)))
|
| 197 |
+
keep = np.zeros(n, dtype=np.bool_)
|
| 198 |
+
keep[start : start + width] = True
|
| 199 |
+
out |= ~keep
|
| 200 |
+
if rng.random() < self.cfg.bad_window_prob:
|
| 201 |
+
for _ in range(int(rng.integers(1, 5))):
|
| 202 |
+
width = int(rng.integers(max(8, n // 240), max(12, n // 45)))
|
| 203 |
+
start = int(rng.integers(0, max(1, n - width)))
|
| 204 |
+
out[start : start + width] = True
|
| 205 |
+
return out
|
| 206 |
+
|
| 207 |
+
def _augment_flux_calibration(self, flux: np.ndarray, lam: np.ndarray, rng: np.random.Generator) -> np.ndarray:
|
| 208 |
+
if rng.random() >= self.cfg.throughput_prob:
|
| 209 |
+
return flux
|
| 210 |
+
x = np.linspace(-1.0, 1.0, len(flux), dtype=np.float32)
|
| 211 |
+
coeff = rng.normal(0.0, [0.05, 0.025, 0.015]).astype(np.float32)
|
| 212 |
+
curve = 1.0 + coeff[0] * x + coeff[1] * (x * x - 0.33) + coeff[2] * np.sin(np.pi * x)
|
| 213 |
+
return (flux * np.clip(curve, 0.65, 1.35)).astype(np.float32)
|
| 214 |
+
|
| 215 |
+
def _augment_noise(self, flux: np.ndarray, ivar: np.ndarray, rng: np.random.Generator) -> np.ndarray:
|
| 216 |
+
if rng.random() >= self.cfg.noise_prob:
|
| 217 |
+
return flux
|
| 218 |
+
sigma = np.zeros_like(flux, dtype=np.float32)
|
| 219 |
+
good = np.isfinite(ivar) & (ivar > 0)
|
| 220 |
+
sigma[good] = 1.0 / np.sqrt(np.maximum(ivar[good], 1e-8))
|
| 221 |
+
scale = float(rng.uniform(0.15, 0.75))
|
| 222 |
+
return (flux + rng.normal(0.0, sigma * scale).astype(np.float32)).astype(np.float32)
|
| 223 |
+
|
| 224 |
+
def _augment_resolution(self, flux: np.ndarray, rng: np.random.Generator) -> np.ndarray:
|
| 225 |
+
if rng.random() >= self.cfg.resolution_prob:
|
| 226 |
+
return flux
|
| 227 |
+
finite = np.isfinite(flux)
|
| 228 |
+
fill = float(np.nanmedian(flux[finite])) if finite.any() else 0.0
|
| 229 |
+
base = np.nan_to_num(flux, nan=fill, posinf=fill, neginf=fill).astype(np.float32)
|
| 230 |
+
sigma = float(rng.uniform(0.6, 3.0))
|
| 231 |
+
radius = max(2, int(math.ceil(4.0 * sigma)))
|
| 232 |
+
x = np.arange(-radius, radius + 1, dtype=np.float32)
|
| 233 |
+
kernel = np.exp(-0.5 * (x / sigma) ** 2)
|
| 234 |
+
kernel = (kernel / kernel.sum()).astype(np.float32)
|
| 235 |
+
padded = np.pad(base, (radius, radius), mode="edge")
|
| 236 |
+
return np.convolve(padded, kernel, mode="valid").astype(np.float32)
|
| 237 |
+
|
| 238 |
+
def _augment_downsample_resample(
|
| 239 |
+
self,
|
| 240 |
+
flux: np.ndarray,
|
| 241 |
+
ivar: np.ndarray,
|
| 242 |
+
lam: np.ndarray,
|
| 243 |
+
rng: np.random.Generator,
|
| 244 |
+
) -> tuple[np.ndarray, np.ndarray]:
|
| 245 |
+
if rng.random() >= self.cfg.downsample_prob:
|
| 246 |
+
return flux, ivar
|
| 247 |
+
n = len(flux)
|
| 248 |
+
if n < 32:
|
| 249 |
+
return flux, ivar
|
| 250 |
+
factor = int(rng.choice(np.asarray([2, 3, 4, 6, 8], dtype=np.int64)))
|
| 251 |
+
offset = int(rng.integers(0, factor))
|
| 252 |
+
idx = np.arange(offset, n, factor, dtype=np.int64)
|
| 253 |
+
if len(idx) < 4:
|
| 254 |
+
return flux, ivar
|
| 255 |
+
lam_good = np.asarray(lam[idx], dtype=np.float32)
|
| 256 |
+
flux_good = np.asarray(flux[idx], dtype=np.float32)
|
| 257 |
+
ivar_good = np.asarray(ivar[idx], dtype=np.float32)
|
| 258 |
+
good = np.isfinite(lam_good) & np.isfinite(flux_good) & np.isfinite(ivar_good)
|
| 259 |
+
if np.count_nonzero(good) < 4:
|
| 260 |
+
return flux, ivar
|
| 261 |
+
lam_good = lam_good[good]
|
| 262 |
+
order = np.argsort(lam_good)
|
| 263 |
+
lam_good = lam_good[order]
|
| 264 |
+
flux_good = flux_good[good][order]
|
| 265 |
+
ivar_good = ivar_good[good][order]
|
| 266 |
+
flux_out = np.interp(lam, lam_good, flux_good, left=flux_good[0], right=flux_good[-1]).astype(np.float32)
|
| 267 |
+
ivar_out = np.interp(lam, lam_good, ivar_good, left=0.0, right=0.0).astype(np.float32)
|
| 268 |
+
ivar_out *= float(rng.uniform(0.25, 0.85))
|
| 269 |
+
return flux_out, ivar_out
|
| 270 |
+
|
| 271 |
+
def _sample_input_dropout(self, abs_grad: np.ndarray, valid: np.ndarray, rng: np.random.Generator) -> np.ndarray:
|
| 272 |
+
corrupt = np.zeros_like(valid, dtype=np.bool_)
|
| 273 |
+
if valid.sum() < 16:
|
| 274 |
+
return corrupt
|
| 275 |
+
n = len(valid)
|
| 276 |
+
valid_idx = np.where(valid)[0]
|
| 277 |
+
ratio = self.cfg.random_mask_ratio if self.train else self.cfg.eval_mask_ratio
|
| 278 |
+
if ratio > 0:
|
| 279 |
+
n_rand = max(1, int(round(len(valid_idx) * min(float(ratio), 1.0))))
|
| 280 |
+
if self.cfg.mask_mode == "pixel":
|
| 281 |
+
corrupt[rng.choice(valid_idx, size=min(n_rand, len(valid_idx)), replace=False)] = True
|
| 282 |
+
else:
|
| 283 |
+
line_bias = self.cfg.mask_mode in {"line_span", "mixed_span"}
|
| 284 |
+
self._add_spans_to_mask(corrupt, valid, abs_grad, n_rand, rng, line_bias=line_bias)
|
| 285 |
+
if self.train and rng.random() < self.cfg.span_dropout_prob:
|
| 286 |
+
for _ in range(int(rng.integers(1, 4))):
|
| 287 |
+
width = int(rng.integers(max(4, n // 220), max(8, n // 55)))
|
| 288 |
+
start = int(rng.integers(0, max(1, n - width)))
|
| 289 |
+
corrupt[start : start + width] |= valid[start : start + width]
|
| 290 |
+
if self.train and rng.random() < self.cfg.line_dropout_prob:
|
| 291 |
+
score = abs_grad.copy()
|
| 292 |
+
score[~valid] = 0.0
|
| 293 |
+
if np.count_nonzero(score) > 0:
|
| 294 |
+
k = max(4, n // 96)
|
| 295 |
+
peaks = np.argsort(score)[-k:]
|
| 296 |
+
for j in peaks:
|
| 297 |
+
width = int(rng.integers(max(2, n // 900), max(4, n // 280)))
|
| 298 |
+
lo = max(0, int(j) - width)
|
| 299 |
+
hi = min(n, int(j) + width + 1)
|
| 300 |
+
corrupt[lo:hi] |= valid[lo:hi]
|
| 301 |
+
return corrupt & valid
|
| 302 |
+
|
| 303 |
+
def _add_spans_to_mask(
|
| 304 |
+
self,
|
| 305 |
+
corrupt: np.ndarray,
|
| 306 |
+
valid: np.ndarray,
|
| 307 |
+
abs_grad: np.ndarray,
|
| 308 |
+
target_count: int,
|
| 309 |
+
rng: np.random.Generator,
|
| 310 |
+
*,
|
| 311 |
+
line_bias: bool,
|
| 312 |
+
) -> None:
|
| 313 |
+
valid_idx = np.where(valid)[0]
|
| 314 |
+
if len(valid_idx) == 0:
|
| 315 |
+
return
|
| 316 |
+
lo_w = max(1, int(self.cfg.mask_span_min))
|
| 317 |
+
hi_w = max(lo_w + 1, int(self.cfg.mask_span_max) + 1)
|
| 318 |
+
probs = None
|
| 319 |
+
if line_bias:
|
| 320 |
+
score = abs_grad[valid_idx].astype(np.float64)
|
| 321 |
+
positive = score[np.isfinite(score) & (score > 0)]
|
| 322 |
+
scale = float(np.percentile(positive, 90)) if len(positive) else 1.0
|
| 323 |
+
if not math.isfinite(scale) or scale <= 0:
|
| 324 |
+
scale = 1.0
|
| 325 |
+
score = np.clip(score / scale, 0.0, 5.0) + 0.05
|
| 326 |
+
probs = score / score.sum()
|
| 327 |
+
max_tries = max(32, target_count * 4)
|
| 328 |
+
tries = 0
|
| 329 |
+
while int(np.count_nonzero(corrupt & valid)) < target_count and tries < max_tries:
|
| 330 |
+
tries += 1
|
| 331 |
+
center = int(rng.choice(valid_idx, p=probs))
|
| 332 |
+
width = int(rng.integers(lo_w, hi_w))
|
| 333 |
+
lo = max(0, center - width // 2)
|
| 334 |
+
hi = min(len(valid), lo + width)
|
| 335 |
+
corrupt[lo:hi] |= valid[lo:hi]
|
| 336 |
+
|
| 337 |
+
def _line_weights(self, abs_grad: np.ndarray, valid: np.ndarray) -> np.ndarray:
|
| 338 |
+
weight = np.ones_like(abs_grad, dtype=np.float32)
|
| 339 |
+
if valid.sum() < 16:
|
| 340 |
+
return weight
|
| 341 |
+
scale = float(np.percentile(abs_grad[valid], 90))
|
| 342 |
+
if math.isfinite(scale) and scale > 0:
|
| 343 |
+
weight += 2.0 * np.clip(abs_grad / scale, 0.0, 2.0)
|
| 344 |
+
weight[~valid] = 1.0
|
| 345 |
+
return np.clip(weight, 1.0, 5.0).astype(np.float32)
|
| 346 |
+
|
| 347 |
+
def _line_region(self, abs_grad: np.ndarray, valid: np.ndarray) -> np.ndarray:
|
| 348 |
+
region = np.zeros_like(valid, dtype=np.bool_)
|
| 349 |
+
if valid.sum() < 16:
|
| 350 |
+
return region
|
| 351 |
+
pct = min(max(float(self.cfg.line_region_percentile), 0.0), 100.0)
|
| 352 |
+
thresh = float(np.percentile(abs_grad[valid], pct))
|
| 353 |
+
if math.isfinite(thresh) and thresh > 0:
|
| 354 |
+
region = (abs_grad >= thresh) & valid
|
| 355 |
+
return region.astype(np.bool_)
|
| 356 |
+
|
| 357 |
+
|
| 358 |
+
class ConvBlock(nn.Module):
|
| 359 |
+
def __init__(self, in_channels: int, out_channels: int, kernel_size: int = 7, stride: int = 1, dropout: float = 0.0):
|
| 360 |
+
super().__init__()
|
| 361 |
+
padding = kernel_size // 2
|
| 362 |
+
self.net = nn.Sequential(
|
| 363 |
+
nn.Conv1d(in_channels, out_channels, kernel_size=kernel_size, stride=stride, padding=padding, bias=False),
|
| 364 |
+
nn.BatchNorm1d(out_channels),
|
| 365 |
+
nn.GELU(),
|
| 366 |
+
nn.Dropout(dropout),
|
| 367 |
+
nn.Conv1d(out_channels, out_channels, kernel_size=kernel_size, stride=1, padding=padding, bias=False),
|
| 368 |
+
nn.BatchNorm1d(out_channels),
|
| 369 |
+
)
|
| 370 |
+
self.skip = (
|
| 371 |
+
nn.Conv1d(in_channels, out_channels, kernel_size=1, stride=stride, bias=False)
|
| 372 |
+
if stride != 1 or in_channels != out_channels
|
| 373 |
+
else nn.Identity()
|
| 374 |
+
)
|
| 375 |
+
self.act = nn.GELU()
|
| 376 |
+
|
| 377 |
+
def forward(self, x: torch.Tensor) -> torch.Tensor:
|
| 378 |
+
return self.act(self.net(x) + self.skip(x))
|
| 379 |
+
|
| 380 |
+
|
| 381 |
+
class LayerScaleEncoderLayer(nn.Module):
|
| 382 |
+
def __init__(self, d_model: int, heads: int, dropout: float, layerscale_init: float):
|
| 383 |
+
super().__init__()
|
| 384 |
+
self.norm1 = nn.LayerNorm(d_model)
|
| 385 |
+
self.self_attn = nn.MultiheadAttention(d_model, heads, dropout=dropout, batch_first=True)
|
| 386 |
+
self.dropout1 = nn.Dropout(dropout)
|
| 387 |
+
self.norm2 = nn.LayerNorm(d_model)
|
| 388 |
+
self.linear1 = nn.Linear(d_model, d_model * 4)
|
| 389 |
+
self.linear2 = nn.Linear(d_model * 4, d_model)
|
| 390 |
+
self.dropout = nn.Dropout(dropout)
|
| 391 |
+
self.dropout2 = nn.Dropout(dropout)
|
| 392 |
+
self.act = nn.GELU()
|
| 393 |
+
init = float(layerscale_init)
|
| 394 |
+
self.ls1 = nn.Parameter(torch.full((d_model,), init))
|
| 395 |
+
self.ls2 = nn.Parameter(torch.full((d_model,), init))
|
| 396 |
+
|
| 397 |
+
def forward(
|
| 398 |
+
self,
|
| 399 |
+
src: torch.Tensor,
|
| 400 |
+
src_mask: torch.Tensor | None = None,
|
| 401 |
+
src_key_padding_mask: torch.Tensor | None = None,
|
| 402 |
+
is_causal: bool = False,
|
| 403 |
+
) -> torch.Tensor:
|
| 404 |
+
q = self.norm1(src)
|
| 405 |
+
attn, _ = self.self_attn(
|
| 406 |
+
q,
|
| 407 |
+
q,
|
| 408 |
+
q,
|
| 409 |
+
attn_mask=src_mask,
|
| 410 |
+
key_padding_mask=src_key_padding_mask,
|
| 411 |
+
need_weights=False,
|
| 412 |
+
is_causal=is_causal,
|
| 413 |
+
)
|
| 414 |
+
src = src + self.ls1 * self.dropout1(attn)
|
| 415 |
+
ff = self.linear2(self.dropout(self.act(self.linear1(self.norm2(src)))))
|
| 416 |
+
return src + self.ls2 * self.dropout2(ff)
|
| 417 |
+
|
| 418 |
+
|
| 419 |
+
class HybridSpecZ(nn.Module):
|
| 420 |
+
def __init__(
|
| 421 |
+
self,
|
| 422 |
+
in_channels: int = 8,
|
| 423 |
+
d_model: int = 256,
|
| 424 |
+
conv_width: int = 128,
|
| 425 |
+
layers: int = 5,
|
| 426 |
+
heads: int = 8,
|
| 427 |
+
dropout: float = 0.1,
|
| 428 |
+
fourier_freqs: int = 32,
|
| 429 |
+
z_bins: int = 64,
|
| 430 |
+
y_min: float = 0.0,
|
| 431 |
+
y_max: float = math.log1p(6.0),
|
| 432 |
+
prediction_mode: str = "regression",
|
| 433 |
+
bin_temperature: float = 1.0,
|
| 434 |
+
residual_scale: float = 0.06,
|
| 435 |
+
candidate_topk: int = 5,
|
| 436 |
+
stem_stride: int = 8,
|
| 437 |
+
rec_hidden_mult: int = 0,
|
| 438 |
+
rec_refine_width: int = 16,
|
| 439 |
+
rec_refine_kernel: int = 5,
|
| 440 |
+
layerscale_init: float = 0.0,
|
| 441 |
+
):
|
| 442 |
+
super().__init__()
|
| 443 |
+
allowed_modes = {"regression", "softbin", "hybrid", "bin_residual", "ranked_bin_residual"}
|
| 444 |
+
if prediction_mode not in allowed_modes:
|
| 445 |
+
raise ValueError(f"prediction_mode must be one of {sorted(allowed_modes)}, got {prediction_mode!r}")
|
| 446 |
+
self.fourier_freqs = fourier_freqs
|
| 447 |
+
self.z_bins = z_bins
|
| 448 |
+
self.y_min = y_min
|
| 449 |
+
self.y_max = y_max
|
| 450 |
+
self.prediction_mode = prediction_mode
|
| 451 |
+
self.bin_temperature = bin_temperature
|
| 452 |
+
self.residual_scale = residual_scale
|
| 453 |
+
self.candidate_topk = max(1, min(int(candidate_topk), z_bins))
|
| 454 |
+
if stem_stride not in {4, 8}:
|
| 455 |
+
raise ValueError(f"stem_stride must be 4 or 8, got {stem_stride}")
|
| 456 |
+
self.stem_stride = int(stem_stride)
|
| 457 |
+
self.rec_pixels_per_token = int(stem_stride)
|
| 458 |
+
self.stride_stages = int(round(math.log2(self.stem_stride)))
|
| 459 |
+
bin_width = (y_max - y_min) / z_bins
|
| 460 |
+
centers = torch.linspace(y_min + 0.5 * bin_width, y_max - 0.5 * bin_width, z_bins)
|
| 461 |
+
self.register_buffer("z_bin_centers", centers, persistent=False)
|
| 462 |
+
|
| 463 |
+
if self.stem_stride == 8:
|
| 464 |
+
self.stem = nn.Sequential(
|
| 465 |
+
ConvBlock(in_channels, conv_width, kernel_size=9, stride=2, dropout=dropout * 0.5),
|
| 466 |
+
ConvBlock(conv_width, conv_width, kernel_size=7, stride=2, dropout=dropout * 0.5),
|
| 467 |
+
ConvBlock(conv_width, d_model, kernel_size=7, stride=2, dropout=dropout * 0.5),
|
| 468 |
+
ConvBlock(d_model, d_model, kernel_size=5, stride=1, dropout=dropout * 0.5),
|
| 469 |
+
)
|
| 470 |
+
else:
|
| 471 |
+
self.stem = nn.Sequential(
|
| 472 |
+
ConvBlock(in_channels, conv_width, kernel_size=9, stride=2, dropout=dropout * 0.5),
|
| 473 |
+
ConvBlock(conv_width, d_model, kernel_size=7, stride=2, dropout=dropout * 0.5),
|
| 474 |
+
ConvBlock(d_model, d_model, kernel_size=5, stride=1, dropout=dropout * 0.5),
|
| 475 |
+
)
|
| 476 |
+
self.pos_proj = nn.Sequential(nn.Linear(fourier_freqs * 2, d_model), nn.LayerNorm(d_model))
|
| 477 |
+
self.cls = nn.Parameter(torch.randn(1, 1, d_model) * 0.02)
|
| 478 |
+
# The model never receives true z; this learned query is the always-masked z token.
|
| 479 |
+
self.z_query = nn.Parameter(torch.randn(1, 1, d_model) * 0.02)
|
| 480 |
+
|
| 481 |
+
if layerscale_init > 0:
|
| 482 |
+
enc_layer = LayerScaleEncoderLayer(d_model, heads, dropout, layerscale_init)
|
| 483 |
+
else:
|
| 484 |
+
enc_layer = nn.TransformerEncoderLayer(
|
| 485 |
+
d_model=d_model,
|
| 486 |
+
nhead=heads,
|
| 487 |
+
dim_feedforward=d_model * 4,
|
| 488 |
+
dropout=dropout,
|
| 489 |
+
batch_first=True,
|
| 490 |
+
norm_first=True,
|
| 491 |
+
activation="gelu",
|
| 492 |
+
)
|
| 493 |
+
self.encoder = nn.TransformerEncoder(enc_layer, num_layers=layers)
|
| 494 |
+
self.pool_gate = nn.Sequential(nn.LayerNorm(d_model), nn.Linear(d_model, 1))
|
| 495 |
+
head_dim = d_model * 5
|
| 496 |
+
self.z_head = nn.Sequential(nn.LayerNorm(head_dim), nn.Linear(head_dim, d_model), nn.GELU(), nn.Dropout(dropout), nn.Linear(d_model, 2))
|
| 497 |
+
self.z_bin_head = nn.Sequential(nn.LayerNorm(head_dim), nn.Linear(head_dim, d_model), nn.GELU(), nn.Dropout(dropout), nn.Linear(d_model, z_bins))
|
| 498 |
+
self.z_candidate_head = nn.Sequential(
|
| 499 |
+
nn.LayerNorm(head_dim),
|
| 500 |
+
nn.Linear(head_dim, d_model),
|
| 501 |
+
nn.GELU(),
|
| 502 |
+
nn.Dropout(dropout),
|
| 503 |
+
nn.Linear(d_model, z_bins),
|
| 504 |
+
)
|
| 505 |
+
if rec_hidden_mult > 0:
|
| 506 |
+
rec_hidden = int(d_model * rec_hidden_mult)
|
| 507 |
+
self.rec_head = nn.Sequential(
|
| 508 |
+
nn.LayerNorm(d_model),
|
| 509 |
+
nn.Linear(d_model, rec_hidden),
|
| 510 |
+
nn.GELU(),
|
| 511 |
+
nn.Dropout(dropout),
|
| 512 |
+
nn.Linear(rec_hidden, self.rec_pixels_per_token),
|
| 513 |
+
)
|
| 514 |
+
else:
|
| 515 |
+
self.rec_head = nn.Sequential(nn.LayerNorm(d_model), nn.Linear(d_model, self.rec_pixels_per_token))
|
| 516 |
+
rec_pad = int(rec_refine_kernel) // 2
|
| 517 |
+
self.rec_refine = nn.Sequential(
|
| 518 |
+
nn.Conv1d(1, rec_refine_width, kernel_size=rec_refine_kernel, padding=rec_pad),
|
| 519 |
+
nn.GELU(),
|
| 520 |
+
nn.Conv1d(rec_refine_width, 1, kernel_size=rec_refine_kernel, padding=rec_pad),
|
| 521 |
+
)
|
| 522 |
+
|
| 523 |
+
def forward(self, x: torch.Tensor, valid: torch.Tensor, loglam: torch.Tensor) -> dict[str, torch.Tensor]:
|
| 524 |
+
bsz = x.shape[0]
|
| 525 |
+
h = self.stem(x).transpose(1, 2)
|
| 526 |
+
tok_valid = valid.float().unsqueeze(1)
|
| 527 |
+
tok_loglam = loglam.unsqueeze(1)
|
| 528 |
+
for _ in range(self.stride_stages):
|
| 529 |
+
tok_valid = F.avg_pool1d(tok_valid, kernel_size=2, stride=2, ceil_mode=True)
|
| 530 |
+
tok_loglam = F.avg_pool1d(tok_loglam, kernel_size=2, stride=2, ceil_mode=True)
|
| 531 |
+
tok_valid = tok_valid.squeeze(1) > 0.20
|
| 532 |
+
tok_loglam = tok_loglam.squeeze(1)
|
| 533 |
+
if tok_valid.shape[1] != h.shape[1]:
|
| 534 |
+
tok_valid = tok_valid[:, : h.shape[1]]
|
| 535 |
+
tok_loglam = tok_loglam[:, : h.shape[1]]
|
| 536 |
+
h = h[:, : tok_valid.shape[1]]
|
| 537 |
+
|
| 538 |
+
h = h + self.pos_proj(fourier_loglam(tok_loglam, self.fourier_freqs))
|
| 539 |
+
cls = self.cls.expand(bsz, -1, -1)
|
| 540 |
+
z_query = self.z_query.expand(bsz, -1, -1)
|
| 541 |
+
src = torch.cat([cls, z_query, h], dim=1)
|
| 542 |
+
special_valid = torch.ones((bsz, 2), dtype=torch.bool, device=x.device)
|
| 543 |
+
src_valid = torch.cat([special_valid, tok_valid], dim=1)
|
| 544 |
+
padding = ~src_valid
|
| 545 |
+
memory = self.encoder(src, src_key_padding_mask=padding)
|
| 546 |
+
|
| 547 |
+
spec = memory[:, 2:]
|
| 548 |
+
spec_valid = src_valid[:, 2:]
|
| 549 |
+
spec_mask = spec_valid.unsqueeze(-1)
|
| 550 |
+
rec = self.rec_head(spec).reshape(bsz, -1)
|
| 551 |
+
rec = rec + self.rec_refine(rec.unsqueeze(1)).squeeze(1)
|
| 552 |
+
if rec.shape[1] > x.shape[-1]:
|
| 553 |
+
rec = rec[:, : x.shape[-1]]
|
| 554 |
+
elif rec.shape[1] < x.shape[-1]:
|
| 555 |
+
rec = F.pad(rec, (0, x.shape[-1] - rec.shape[1]))
|
| 556 |
+
denom = spec_valid.float().sum(dim=1).clamp_min(1.0).unsqueeze(-1)
|
| 557 |
+
mean_pool = (spec * spec_mask.float()).sum(dim=1) / denom
|
| 558 |
+
max_pool = spec.masked_fill(~spec_mask, -1e4).max(dim=1).values
|
| 559 |
+
gate_logits = self.pool_gate(spec).squeeze(-1).masked_fill(~spec_valid, -1e4)
|
| 560 |
+
gate = torch.softmax(gate_logits, dim=1)
|
| 561 |
+
attn_pool = torch.einsum("bn,bnd->bd", gate, spec)
|
| 562 |
+
feat = torch.cat([memory[:, 0], memory[:, 1], mean_pool, max_pool, attn_pool], dim=-1)
|
| 563 |
+
z_params = self.z_head(feat)
|
| 564 |
+
z_bin_logits = self.z_bin_head(feat)
|
| 565 |
+
candidate_residual = self.residual_scale * torch.tanh(self.z_candidate_head(feat))
|
| 566 |
+
centers = self.z_bin_centers.to(dtype=z_bin_logits.dtype, device=z_bin_logits.device)
|
| 567 |
+
candidate_y = (centers.unsqueeze(0) + candidate_residual).clamp(self.y_min, self.y_max)
|
| 568 |
+
topk_logits, topk_bins = torch.topk(z_bin_logits, k=self.candidate_topk, dim=-1)
|
| 569 |
+
candidate_topk_y = candidate_y.gather(1, topk_bins)
|
| 570 |
+
y_reg = z_params[:, 0]
|
| 571 |
+
bin_prob = torch.softmax(z_bin_logits / max(self.bin_temperature, 1e-4), dim=-1)
|
| 572 |
+
y_bin = (bin_prob * self.z_bin_centers.to(dtype=bin_prob.dtype, device=bin_prob.device)).sum(dim=-1)
|
| 573 |
+
y_ranked = (bin_prob * candidate_y.to(dtype=bin_prob.dtype)).sum(dim=-1)
|
| 574 |
+
y_legacy_bin_residual = y_bin + self.residual_scale * torch.tanh(y_reg)
|
| 575 |
+
if self.prediction_mode == "regression":
|
| 576 |
+
y_pred = y_reg
|
| 577 |
+
elif self.prediction_mode == "softbin":
|
| 578 |
+
y_pred = y_bin
|
| 579 |
+
elif self.prediction_mode == "hybrid":
|
| 580 |
+
y_pred = 0.35 * y_reg + 0.65 * y_bin
|
| 581 |
+
elif self.prediction_mode == "ranked_bin_residual":
|
| 582 |
+
y_pred = 0.5 * y_legacy_bin_residual + 0.5 * y_ranked
|
| 583 |
+
else:
|
| 584 |
+
y_pred = y_legacy_bin_residual
|
| 585 |
+
y_pred = y_pred.clamp(self.y_min, self.y_max)
|
| 586 |
+
return {
|
| 587 |
+
"rec": rec,
|
| 588 |
+
"y_mu": y_pred,
|
| 589 |
+
"y_pred": y_pred,
|
| 590 |
+
"y_reg": y_reg,
|
| 591 |
+
"y_bin": y_bin,
|
| 592 |
+
"y_ranked": y_ranked,
|
| 593 |
+
"y_top1_candidate": candidate_topk_y[:, 0],
|
| 594 |
+
"y_logvar": torch.clamp(z_params[:, 1], -8.0, 4.0),
|
| 595 |
+
"z_bin_logits": z_bin_logits,
|
| 596 |
+
"z_feat": feat,
|
| 597 |
+
"candidate_y": candidate_y,
|
| 598 |
+
"candidate_topk_y": candidate_topk_y,
|
| 599 |
+
"candidate_topk_bins": topk_bins,
|
| 600 |
+
"candidate_topk_logits": topk_logits,
|
| 601 |
+
}
|
| 602 |
+
|
| 603 |
+
def y_to_bin(self, y: torch.Tensor) -> torch.Tensor:
|
| 604 |
+
scaled = (y - self.y_min) / max(self.y_max - self.y_min, 1e-6)
|
| 605 |
+
return torch.clamp((scaled * self.z_bins).long(), 0, self.z_bins - 1)
|
| 606 |
+
|
| 607 |
+
|
| 608 |
+
def move_to_device(batch: dict[str, torch.Tensor], device: torch.device) -> dict[str, torch.Tensor]:
|
| 609 |
+
return {k: v.to(device, non_blocking=True) if torch.is_tensor(v) else v for k, v in batch.items()}
|
| 610 |
+
|
| 611 |
+
|
| 612 |
+
def limit_batch_examples(batch: dict[str, torch.Tensor], max_examples: int | None, seen_examples: int) -> dict[str, torch.Tensor] | None:
|
| 613 |
+
if max_examples is None or max_examples <= 0:
|
| 614 |
+
return batch
|
| 615 |
+
remaining = int(max_examples) - int(seen_examples)
|
| 616 |
+
if remaining <= 0:
|
| 617 |
+
return None
|
| 618 |
+
bsz = int(batch["y"].shape[0])
|
| 619 |
+
if remaining >= bsz:
|
| 620 |
+
return batch
|
| 621 |
+
return {k: v[:remaining] if torch.is_tensor(v) and v.shape[:1] == (bsz,) else v for k, v in batch.items()}
|
| 622 |
+
|
| 623 |
+
|
| 624 |
+
def load_checkpoint_into_model(model: nn.Module, state: dict[str, torch.Tensor], allow_mismatched: bool = False) -> None:
|
| 625 |
+
if not allow_mismatched:
|
| 626 |
+
try:
|
| 627 |
+
model.load_state_dict(state, strict=True)
|
| 628 |
+
except RuntimeError:
|
| 629 |
+
missing, unexpected = model.load_state_dict(state, strict=False)
|
| 630 |
+
print(f"RESUME_NONSTRICT missing={list(missing)} unexpected={list(unexpected)}")
|
| 631 |
+
return
|
| 632 |
+
|
| 633 |
+
target_state = model.state_dict()
|
| 634 |
+
compatible = {}
|
| 635 |
+
skipped = []
|
| 636 |
+
for key, value in state.items():
|
| 637 |
+
target = target_state.get(key)
|
| 638 |
+
if target is not None and tuple(target.shape) == tuple(value.shape):
|
| 639 |
+
compatible[key] = value
|
| 640 |
+
else:
|
| 641 |
+
skipped.append(key)
|
| 642 |
+
missing, unexpected = model.load_state_dict(compatible, strict=False)
|
| 643 |
+
print(
|
| 644 |
+
"RESUME_FILTERED "
|
| 645 |
+
f"loaded={len(compatible)} skipped={len(skipped)} "
|
| 646 |
+
f"missing={list(missing)} unexpected={list(unexpected)} skipped_keys={skipped[:20]}"
|
| 647 |
+
)
|
| 648 |
+
|
| 649 |
+
|
| 650 |
+
def redshift_total_loss(model: HybridSpecZ, out: dict[str, torch.Tensor], batch: dict[str, torch.Tensor], cfg: LossConfig) -> tuple[torch.Tensor, dict[str, torch.Tensor]]:
|
| 651 |
+
parts = redshift_losses(model, out, batch["y"], batch["zwarn"], cfg)
|
| 652 |
+
if "rec" in out and "target_flux" in batch and "loss_mask" in batch:
|
| 653 |
+
line_weight = batch.get("line_weight")
|
| 654 |
+
if line_weight is not None:
|
| 655 |
+
line_weight = line_weight.pow(cfg.line_weight_power)
|
| 656 |
+
rec = masked_huber(out["rec"], batch["target_flux"], batch["loss_mask"], weight=line_weight)
|
| 657 |
+
else:
|
| 658 |
+
rec = parts["z_huber"].sum() * 0.0
|
| 659 |
+
total = (
|
| 660 |
+
cfg.rec_weight * rec
|
| 661 |
+
+ cfg.z_weight * parts["z_huber"]
|
| 662 |
+
+ cfg.z_bin_weight * parts["z_bin"]
|
| 663 |
+
+ cfg.z_candidate_weight * parts["z_candidate"]
|
| 664 |
+
+ cfg.z_nll_weight * parts["z_nll"]
|
| 665 |
+
)
|
| 666 |
+
metrics = {"loss": total.detach(), "rec": rec.detach(), **{k: v.detach() for k, v in parts.items()}}
|
| 667 |
+
return total, metrics
|
| 668 |
+
|
| 669 |
+
|
| 670 |
+
def plot_spectra_batch(path: str | Path, batch: dict[str, torch.Tensor], y_pred: np.ndarray, max_items: int = 4) -> None:
|
| 671 |
+
path = Path(path)
|
| 672 |
+
path.parent.mkdir(parents=True, exist_ok=True)
|
| 673 |
+
x = batch["x"].detach().cpu().numpy()
|
| 674 |
+
loglam = batch["loglam"].detach().cpu().numpy()
|
| 675 |
+
valid = batch["valid"].detach().cpu().numpy()
|
| 676 |
+
z = batch["z"].detach().cpu().numpy()
|
| 677 |
+
bsz = min(max_items, x.shape[0])
|
| 678 |
+
fig, axes = plt.subplots(bsz, 1, figsize=(13, 3.0 * bsz), squeeze=False)
|
| 679 |
+
for i in range(bsz):
|
| 680 |
+
ax = axes[i, 0]
|
| 681 |
+
wave = np.exp(loglam[i])
|
| 682 |
+
good = valid[i].astype(bool)
|
| 683 |
+
ax.plot(wave[good], x[i, 0, good], color="black", linewidth=0.8, label="input flux")
|
| 684 |
+
ax.plot(wave[good], x[i, 6, good], color="#1f77b4", linewidth=0.6, alpha=0.55, label="line score")
|
| 685 |
+
masked = x[i, 7] > 0
|
| 686 |
+
if masked.any():
|
| 687 |
+
ax.scatter(wave[masked], np.zeros(masked.sum()), s=5, color="#d62728", alpha=0.55, label="redshift dropout")
|
| 688 |
+
ax.set_title(f"z true={z[i]:.5f} z pred={np.expm1(y_pred[i]):.5f}")
|
| 689 |
+
ax.set_ylabel("normalized")
|
| 690 |
+
ax.grid(alpha=0.2)
|
| 691 |
+
if i == 0:
|
| 692 |
+
ax.legend(loc="best", fontsize=8)
|
| 693 |
+
axes[-1, 0].set_xlabel("wavelength Angstrom")
|
| 694 |
+
fig.tight_layout()
|
| 695 |
+
fig.savefig(path, dpi=150)
|
| 696 |
+
plt.close(fig)
|
| 697 |
+
|
| 698 |
+
|
| 699 |
+
def add_redshift_slice_metrics(metrics: dict[str, float], prefix: str, y_true: np.ndarray, y_pred: np.ndarray) -> None:
|
| 700 |
+
z_true = np.expm1(y_true)
|
| 701 |
+
z_pred = np.expm1(y_pred)
|
| 702 |
+
slices = {
|
| 703 |
+
"z_lt_0p4": z_true < 0.4,
|
| 704 |
+
"z_0p4_1p0": (z_true >= 0.4) & (z_true < 1.0),
|
| 705 |
+
"z_1p0_2p0": (z_true >= 1.0) & (z_true < 2.0),
|
| 706 |
+
"z_gte_2p0": z_true >= 2.0,
|
| 707 |
+
}
|
| 708 |
+
for name, mask in slices.items():
|
| 709 |
+
count = int(np.count_nonzero(mask))
|
| 710 |
+
metrics[f"{prefix}/{name}_count"] = float(count)
|
| 711 |
+
if count >= 5:
|
| 712 |
+
err = z_pred[mask] - z_true[mask]
|
| 713 |
+
denom = 1.0 + z_true[mask]
|
| 714 |
+
metrics[f"{prefix}/{name}_mae_z"] = float(np.mean(np.abs(err)))
|
| 715 |
+
metrics[f"{prefix}/{name}_bias_z"] = float(np.mean(err))
|
| 716 |
+
metrics[f"{prefix}/{name}_cat_0p05"] = float(np.mean(np.abs(err / denom) > 0.05))
|
| 717 |
+
|
| 718 |
+
|
| 719 |
+
def add_candidate_metrics(
|
| 720 |
+
metrics: dict[str, float],
|
| 721 |
+
prefix: str,
|
| 722 |
+
y_true: np.ndarray,
|
| 723 |
+
candidate_y: np.ndarray,
|
| 724 |
+
candidate_bins: np.ndarray | None,
|
| 725 |
+
*,
|
| 726 |
+
z_bins: int,
|
| 727 |
+
y_min: float,
|
| 728 |
+
y_max: float,
|
| 729 |
+
) -> None:
|
| 730 |
+
if candidate_y.size == 0:
|
| 731 |
+
return
|
| 732 |
+
z_true = np.expm1(y_true)
|
| 733 |
+
z_candidate = np.expm1(candidate_y)
|
| 734 |
+
abs_dz = np.abs(z_candidate - z_true[:, None])
|
| 735 |
+
norm_dz = abs_dz / (1.0 + z_true[:, None])
|
| 736 |
+
top_limits = [1, 3, 5]
|
| 737 |
+
for k in top_limits:
|
| 738 |
+
kk = min(k, candidate_y.shape[1])
|
| 739 |
+
best_abs = np.min(abs_dz[:, :kk], axis=1)
|
| 740 |
+
best_norm = np.min(norm_dz[:, :kk], axis=1)
|
| 741 |
+
metrics[f"{prefix}/candidate_top{kk}_best_mae_z"] = float(np.mean(best_abs))
|
| 742 |
+
metrics[f"{prefix}/candidate_top{kk}_hit_0p003"] = float(np.mean(best_norm <= 0.003))
|
| 743 |
+
metrics[f"{prefix}/candidate_top{kk}_hit_0p01"] = float(np.mean(best_norm <= 0.01))
|
| 744 |
+
metrics[f"{prefix}/candidate_top{kk}_hit_0p05"] = float(np.mean(best_norm <= 0.05))
|
| 745 |
+
if candidate_bins is not None and candidate_bins.size:
|
| 746 |
+
scaled = (y_true - y_min) / max(y_max - y_min, 1e-6)
|
| 747 |
+
true_bins = np.clip((scaled * z_bins).astype(np.int64), 0, z_bins - 1)
|
| 748 |
+
for k in top_limits:
|
| 749 |
+
kk = min(k, candidate_bins.shape[1])
|
| 750 |
+
metrics[f"{prefix}/candidate_top{kk}_bin_hit"] = float(np.mean(np.any(candidate_bins[:, :kk] == true_bins[:, None], axis=1)))
|
| 751 |
+
|
| 752 |
+
|
| 753 |
+
@torch.no_grad()
|
| 754 |
+
def evaluate(
|
| 755 |
+
model: HybridSpecZ,
|
| 756 |
+
loader: DataLoader,
|
| 757 |
+
loss_cfg: LossConfig,
|
| 758 |
+
device: torch.device,
|
| 759 |
+
run_dir: Path,
|
| 760 |
+
step: int,
|
| 761 |
+
prefix: str = "val",
|
| 762 |
+
max_batches: int | None = 50,
|
| 763 |
+
max_examples: int | None = None,
|
| 764 |
+
) -> dict[str, float]:
|
| 765 |
+
model.eval()
|
| 766 |
+
losses: dict[str, list[float]] = {}
|
| 767 |
+
y_true_all: list[np.ndarray] = []
|
| 768 |
+
y_pred_all: list[np.ndarray] = []
|
| 769 |
+
candidate_y_all: list[np.ndarray] = []
|
| 770 |
+
candidate_bins_all: list[np.ndarray] = []
|
| 771 |
+
y_true_clean: list[np.ndarray] = []
|
| 772 |
+
y_pred_clean: list[np.ndarray] = []
|
| 773 |
+
candidate_y_clean: list[np.ndarray] = []
|
| 774 |
+
candidate_bins_clean: list[np.ndarray] = []
|
| 775 |
+
zwarn_all: list[np.ndarray] = []
|
| 776 |
+
first_batch = None
|
| 777 |
+
first_pred = None
|
| 778 |
+
first_rec = None
|
| 779 |
+
seen_examples = 0
|
| 780 |
+
for bi, batch in enumerate(loader):
|
| 781 |
+
if max_batches is not None and max_batches > 0 and bi >= max_batches:
|
| 782 |
+
break
|
| 783 |
+
batch = limit_batch_examples(batch, max_examples, seen_examples)
|
| 784 |
+
if batch is None:
|
| 785 |
+
break
|
| 786 |
+
seen_examples += int(batch["y"].shape[0])
|
| 787 |
+
batch = move_to_device(batch, device)
|
| 788 |
+
with torch.autocast(device_type="cuda", dtype=torch.bfloat16, enabled=device.type == "cuda"):
|
| 789 |
+
out = model(batch["x"], batch["valid"], batch["loglam"])
|
| 790 |
+
_, parts = redshift_total_loss(model, out, batch, loss_cfg)
|
| 791 |
+
y_pred = out.get("y_pred", out["y_mu"])
|
| 792 |
+
for k, v in parts.items():
|
| 793 |
+
losses.setdefault(k, []).append(float(v.detach().cpu()))
|
| 794 |
+
if "rec" in out and "target_flux" in batch and "loss_mask" in batch:
|
| 795 |
+
rec_err = F.smooth_l1_loss(out["rec"].float(), batch["target_flux"].float(), reduction="none", beta=0.5)
|
| 796 |
+
loss_mask = batch["loss_mask"].bool()
|
| 797 |
+
line_region = batch.get("line_region")
|
| 798 |
+
if line_region is not None:
|
| 799 |
+
line_mask = loss_mask & line_region.bool()
|
| 800 |
+
cont_mask = loss_mask & (~line_region.bool())
|
| 801 |
+
for name, mask in (("rec_line", line_mask), ("rec_continuum", cont_mask)):
|
| 802 |
+
denom = mask.float().sum()
|
| 803 |
+
if float(denom.detach().cpu()) > 0:
|
| 804 |
+
losses.setdefault(name, []).append(float(((rec_err * mask.float()).sum() / denom.clamp_min(1.0)).detach().cpu()))
|
| 805 |
+
context_mask = batch["valid"].bool() & (~loss_mask)
|
| 806 |
+
denom = context_mask.float().sum(dim=1).clamp_min(1.0)
|
| 807 |
+
baseline = (batch["target_flux"].float() * context_mask.float()).sum(dim=1, keepdim=True) / denom.unsqueeze(1)
|
| 808 |
+
baseline_err = F.smooth_l1_loss(baseline.expand_as(batch["target_flux"]).float(), batch["target_flux"].float(), reduction="none", beta=0.5)
|
| 809 |
+
mask_denom = loss_mask.float().sum().clamp_min(1.0)
|
| 810 |
+
losses.setdefault("rec_mean_baseline", []).append(float(((baseline_err * loss_mask.float()).sum() / mask_denom).detach().cpu()))
|
| 811 |
+
finite = torch.isfinite(batch["y"]).detach().cpu().numpy()
|
| 812 |
+
clean = ((~batch["zwarn"].bool()) & torch.isfinite(batch["y"])).detach().cpu().numpy()
|
| 813 |
+
zw = batch["zwarn"].detach().cpu().numpy().astype(bool)
|
| 814 |
+
if finite.any():
|
| 815 |
+
y_true_all.append(batch["y"].detach().cpu().numpy()[finite])
|
| 816 |
+
y_pred_all.append(y_pred.float().detach().cpu().numpy()[finite])
|
| 817 |
+
zwarn_all.append(zw[finite])
|
| 818 |
+
if "candidate_topk_y" in out:
|
| 819 |
+
candidate_y_all.append(out["candidate_topk_y"].float().detach().cpu().numpy()[finite])
|
| 820 |
+
if "candidate_topk_bins" in out:
|
| 821 |
+
candidate_bins_all.append(out["candidate_topk_bins"].detach().cpu().numpy()[finite])
|
| 822 |
+
if clean.any():
|
| 823 |
+
y_true_clean.append(batch["y"].detach().cpu().numpy()[clean])
|
| 824 |
+
y_pred_clean.append(y_pred.float().detach().cpu().numpy()[clean])
|
| 825 |
+
if "candidate_topk_y" in out:
|
| 826 |
+
candidate_y_clean.append(out["candidate_topk_y"].float().detach().cpu().numpy()[clean])
|
| 827 |
+
if "candidate_topk_bins" in out:
|
| 828 |
+
candidate_bins_clean.append(out["candidate_topk_bins"].detach().cpu().numpy()[clean])
|
| 829 |
+
if first_batch is None:
|
| 830 |
+
first_batch = {k: v.detach().cpu() if torch.is_tensor(v) else v for k, v in batch.items()}
|
| 831 |
+
first_pred = y_pred.float().detach().cpu().numpy()
|
| 832 |
+
if "rec" in out:
|
| 833 |
+
first_rec = out["rec"].float().detach().cpu().numpy()
|
| 834 |
+
|
| 835 |
+
metrics = {f"{prefix}/{k}": float(np.mean(v)) for k, v in losses.items()}
|
| 836 |
+
if y_true_all:
|
| 837 |
+
y_true = np.concatenate(y_true_all)
|
| 838 |
+
y_pred = np.concatenate(y_pred_all)
|
| 839 |
+
for k, v in redshift_metrics(y_true, y_pred).items():
|
| 840 |
+
metrics[f"{prefix}/{k}"] = v
|
| 841 |
+
add_redshift_slice_metrics(metrics, prefix, y_true, y_pred)
|
| 842 |
+
if candidate_y_all:
|
| 843 |
+
candidate_y_np = np.concatenate(candidate_y_all)
|
| 844 |
+
candidate_bins_np = np.concatenate(candidate_bins_all) if candidate_bins_all else None
|
| 845 |
+
add_candidate_metrics(
|
| 846 |
+
metrics,
|
| 847 |
+
prefix,
|
| 848 |
+
y_true,
|
| 849 |
+
candidate_y_np,
|
| 850 |
+
candidate_bins_np,
|
| 851 |
+
z_bins=model.z_bins,
|
| 852 |
+
y_min=model.y_min,
|
| 853 |
+
y_max=model.y_max,
|
| 854 |
+
)
|
| 855 |
+
metrics[f"{prefix}/z_count"] = float(len(y_true))
|
| 856 |
+
metrics[f"{prefix}/zwarn_fraction"] = float(np.mean(np.concatenate(zwarn_all))) if zwarn_all else 0.0
|
| 857 |
+
plot_redshift_scatter(run_dir / "plots" / f"{prefix}_redshift_step_{step:06d}.png", y_true, y_pred)
|
| 858 |
+
if y_true_clean:
|
| 859 |
+
clean_true = np.concatenate(y_true_clean)
|
| 860 |
+
clean_pred = np.concatenate(y_pred_clean)
|
| 861 |
+
if len(clean_true) >= 5:
|
| 862 |
+
for k, v in redshift_metrics(clean_true, clean_pred).items():
|
| 863 |
+
metrics[f"{prefix}_clean/{k}"] = v
|
| 864 |
+
if candidate_y_clean:
|
| 865 |
+
candidate_y_clean_np = np.concatenate(candidate_y_clean)
|
| 866 |
+
candidate_bins_clean_np = np.concatenate(candidate_bins_clean) if candidate_bins_clean else None
|
| 867 |
+
add_candidate_metrics(
|
| 868 |
+
metrics,
|
| 869 |
+
f"{prefix}_clean",
|
| 870 |
+
clean_true,
|
| 871 |
+
candidate_y_clean_np,
|
| 872 |
+
candidate_bins_clean_np,
|
| 873 |
+
z_bins=model.z_bins,
|
| 874 |
+
y_min=model.y_min,
|
| 875 |
+
y_max=model.y_max,
|
| 876 |
+
)
|
| 877 |
+
metrics[f"{prefix}_clean/z_count"] = float(len(clean_true))
|
| 878 |
+
if first_batch is not None and first_pred is not None:
|
| 879 |
+
if first_rec is not None and "target_flux" in first_batch and "loss_mask" in first_batch:
|
| 880 |
+
plot_reconstruction_batch(
|
| 881 |
+
run_dir / "plots" / f"{prefix}_reconstruction_step_{step:06d}.png",
|
| 882 |
+
first_batch["loglam"].numpy(),
|
| 883 |
+
first_batch["target_flux"].numpy(),
|
| 884 |
+
first_rec,
|
| 885 |
+
first_batch["loss_mask"].numpy(),
|
| 886 |
+
first_batch["valid"].numpy(),
|
| 887 |
+
first_batch["z"].numpy(),
|
| 888 |
+
np.expm1(first_pred),
|
| 889 |
+
)
|
| 890 |
+
plot_spectra_batch(run_dir / "plots" / f"{prefix}_spectra_step_{step:06d}.png", first_batch, first_pred)
|
| 891 |
+
model.train()
|
| 892 |
+
return metrics
|
| 893 |
+
|
| 894 |
+
|
| 895 |
+
def make_loader(
|
| 896 |
+
samples: list[dict[str, Any]],
|
| 897 |
+
indices: np.ndarray,
|
| 898 |
+
cfg: RawCollatorConfig,
|
| 899 |
+
args: argparse.Namespace,
|
| 900 |
+
train: bool,
|
| 901 |
+
sampler: WeightedRandomSampler | None = None,
|
| 902 |
+
) -> DataLoader:
|
| 903 |
+
return DataLoader(
|
| 904 |
+
SpectraListDataset(samples, indices),
|
| 905 |
+
batch_size=args.batch_size,
|
| 906 |
+
shuffle=train and sampler is None,
|
| 907 |
+
sampler=sampler,
|
| 908 |
+
num_workers=args.num_workers,
|
| 909 |
+
pin_memory=True,
|
| 910 |
+
collate_fn=RawSpectraCollator(cfg, train=train, seed=args.seed + (0 if train else 1000)),
|
| 911 |
+
)
|
| 912 |
+
|
| 913 |
+
|
| 914 |
+
def checkpoint_score(mode: str, val_metrics: dict[str, float], ood_metrics: dict[str, float] | None, z_alpha: float = 0.6) -> float:
|
| 915 |
+
def score_prefix(metrics: dict[str, float], prefix: str) -> float:
|
| 916 |
+
z_score = (
|
| 917 |
+
metrics.get(f"{prefix}/nmad", math.inf)
|
| 918 |
+
+ metrics.get(f"{prefix}/cat_0p01", 1.0)
|
| 919 |
+
+ metrics.get(f"{prefix}/mae_log1p", 1.0)
|
| 920 |
+
)
|
| 921 |
+
rec_score = metrics.get(f"{prefix}/rec")
|
| 922 |
+
if rec_score is None or not math.isfinite(float(rec_score)):
|
| 923 |
+
return z_score
|
| 924 |
+
alpha = min(max(float(z_alpha), 0.0), 1.0)
|
| 925 |
+
return alpha * z_score + (1.0 - alpha) * float(rec_score)
|
| 926 |
+
|
| 927 |
+
val_score = score_prefix(val_metrics, "val")
|
| 928 |
+
if mode == "rec":
|
| 929 |
+
return float(val_metrics.get("val/rec", math.inf))
|
| 930 |
+
if mode == "val" or ood_metrics is None:
|
| 931 |
+
return val_score
|
| 932 |
+
ood_score = score_prefix(ood_metrics, "ood")
|
| 933 |
+
if mode == "ood":
|
| 934 |
+
return ood_score
|
| 935 |
+
return 0.5 * val_score + 0.5 * ood_score
|
| 936 |
+
|
| 937 |
+
|
| 938 |
+
def scheduled_lr(base_lr: float, min_lr: float, step: int, total_steps: int, warmup_steps: int) -> float:
|
| 939 |
+
if warmup_steps > 0 and step <= warmup_steps:
|
| 940 |
+
return base_lr * float(step) / float(max(1, warmup_steps))
|
| 941 |
+
if min_lr < 0 or total_steps <= warmup_steps:
|
| 942 |
+
return base_lr
|
| 943 |
+
progress = (step - warmup_steps) / float(max(1, total_steps - warmup_steps))
|
| 944 |
+
progress = min(max(progress, 0.0), 1.0)
|
| 945 |
+
return min_lr + 0.5 * (base_lr - min_lr) * (1.0 + math.cos(math.pi * progress))
|
| 946 |
+
|
| 947 |
+
|
| 948 |
+
def main() -> None:
|
| 949 |
+
parser = argparse.ArgumentParser()
|
| 950 |
+
parser.add_argument("--dataset-name", default="MultimodalUniverse/desi")
|
| 951 |
+
parser.add_argument("--max-samples", type=int, default=4096)
|
| 952 |
+
parser.add_argument("--cache-dir", default="/workspace/native_specz_mae/cache")
|
| 953 |
+
parser.add_argument("--hf-cache-dir", default=os.environ.get("HF_DATASETS_CACHE", "/workspace/hf_cache/datasets"))
|
| 954 |
+
parser.add_argument("--run-dir", default="/workspace/runs/hybrid_specz")
|
| 955 |
+
parser.add_argument("--resume-checkpoint", default="")
|
| 956 |
+
parser.add_argument("--allow-mismatched-checkpoint", action="store_true")
|
| 957 |
+
parser.add_argument("--refresh-data", action="store_true")
|
| 958 |
+
parser.add_argument("--epochs", type=int, default=8)
|
| 959 |
+
parser.add_argument("--batch-size", type=int, default=64)
|
| 960 |
+
parser.add_argument("--num-workers", type=int, default=2)
|
| 961 |
+
parser.add_argument("--target-length", type=int, default=4096)
|
| 962 |
+
parser.add_argument("--d-model", type=int, default=256)
|
| 963 |
+
parser.add_argument("--conv-width", type=int, default=128)
|
| 964 |
+
parser.add_argument("--layers", type=int, default=5)
|
| 965 |
+
parser.add_argument("--heads", type=int, default=8)
|
| 966 |
+
parser.add_argument("--dropout", type=float, default=0.1)
|
| 967 |
+
parser.add_argument("--z-bins", type=int, default=64)
|
| 968 |
+
parser.add_argument("--stem-stride", type=int, choices=[4, 8], default=8)
|
| 969 |
+
parser.add_argument("--rec-hidden-mult", type=int, default=0)
|
| 970 |
+
parser.add_argument("--rec-refine-width", type=int, default=16)
|
| 971 |
+
parser.add_argument("--rec-refine-kernel", type=int, default=5)
|
| 972 |
+
parser.add_argument("--layerscale-init", type=float, default=0.0)
|
| 973 |
+
parser.add_argument(
|
| 974 |
+
"--prediction-mode",
|
| 975 |
+
choices=["regression", "softbin", "hybrid", "bin_residual", "ranked_bin_residual"],
|
| 976 |
+
default="regression",
|
| 977 |
+
)
|
| 978 |
+
parser.add_argument("--bin-temperature", type=float, default=1.0)
|
| 979 |
+
parser.add_argument("--residual-scale", type=float, default=0.06)
|
| 980 |
+
parser.add_argument("--candidate-topk", type=int, default=5)
|
| 981 |
+
parser.add_argument("--lr", type=float, default=2e-4)
|
| 982 |
+
parser.add_argument("--min-lr", type=float, default=-1.0)
|
| 983 |
+
parser.add_argument("--warmup-steps", type=int, default=0)
|
| 984 |
+
parser.add_argument("--weight-decay", type=float, default=0.03)
|
| 985 |
+
parser.add_argument("--grad-clip", type=float, default=1.0)
|
| 986 |
+
parser.add_argument("--grad-accum-steps", type=int, default=1)
|
| 987 |
+
parser.add_argument("--eval-every", type=int, default=100)
|
| 988 |
+
parser.add_argument("--eval-max-val", type=int, default=800)
|
| 989 |
+
parser.add_argument("--eval-max-ood", type=int, default=480)
|
| 990 |
+
parser.add_argument("--max-steps", type=int, default=0)
|
| 991 |
+
parser.add_argument("--checkpoint-score", choices=["val", "ood", "combined", "rec"], default="combined")
|
| 992 |
+
parser.add_argument("--score-z-alpha", type=float, default=0.6)
|
| 993 |
+
parser.add_argument("--objective", choices=["joint", "rec_only", "z_only"], default="joint")
|
| 994 |
+
parser.add_argument("--balance-redshift", action="store_true")
|
| 995 |
+
parser.add_argument("--train-clean-only", action="store_true")
|
| 996 |
+
parser.add_argument("--clean-sample-boost", type=float, default=1.0)
|
| 997 |
+
parser.add_argument("--augment-ood", action="store_true")
|
| 998 |
+
parser.add_argument("--eval-ood", action="store_true")
|
| 999 |
+
parser.add_argument("--random-mask-ratio", type=float, default=0.0)
|
| 1000 |
+
parser.add_argument("--eval-mask-ratio", type=float, default=0.25)
|
| 1001 |
+
parser.add_argument("--mask-mode", choices=["pixel", "span", "line_span", "mixed_span"], default="pixel")
|
| 1002 |
+
parser.add_argument("--mask-span-min", type=int, default=16)
|
| 1003 |
+
parser.add_argument("--mask-span-max", type=int, default=64)
|
| 1004 |
+
parser.add_argument("--line-region-percentile", type=float, default=90.0)
|
| 1005 |
+
parser.add_argument("--crop-prob", type=float, default=0.0)
|
| 1006 |
+
parser.add_argument("--bad-window-prob", type=float, default=0.0)
|
| 1007 |
+
parser.add_argument("--throughput-prob", type=float, default=0.0)
|
| 1008 |
+
parser.add_argument("--noise-prob", type=float, default=0.0)
|
| 1009 |
+
parser.add_argument("--resolution-prob", type=float, default=0.0)
|
| 1010 |
+
parser.add_argument("--downsample-prob", type=float, default=0.0)
|
| 1011 |
+
parser.add_argument("--line-dropout-prob", type=float, default=0.0)
|
| 1012 |
+
parser.add_argument("--span-dropout-prob", type=float, default=0.0)
|
| 1013 |
+
parser.add_argument("--redshift-shift", type=float, default=0.0)
|
| 1014 |
+
parser.add_argument("--rec-weight", type=float, default=0.0)
|
| 1015 |
+
parser.add_argument("--z-weight", type=float, default=1.0)
|
| 1016 |
+
parser.add_argument("--z-bin-weight", type=float, default=0.25)
|
| 1017 |
+
parser.add_argument("--z-candidate-weight", type=float, default=0.0)
|
| 1018 |
+
parser.add_argument("--z-nll-weight", type=float, default=0.05)
|
| 1019 |
+
parser.add_argument("--zwarn-weight", type=float, default=0.3)
|
| 1020 |
+
parser.add_argument("--high-z-boost", type=float, default=1.0)
|
| 1021 |
+
parser.add_argument("--high-z-threshold", type=float, default=1.0)
|
| 1022 |
+
parser.add_argument("--clean-z-only", action="store_true")
|
| 1023 |
+
parser.add_argument("--seed", type=int, default=17)
|
| 1024 |
+
args = parser.parse_args()
|
| 1025 |
+
|
| 1026 |
+
torch.manual_seed(args.seed)
|
| 1027 |
+
np.random.seed(args.seed)
|
| 1028 |
+
run_dir = Path(args.run_dir) / time.strftime("%Y%m%d_%H%M%S")
|
| 1029 |
+
run_dir.mkdir(parents=True, exist_ok=True)
|
| 1030 |
+
(run_dir / "args.json").write_text(json.dumps(vars(args), indent=2), encoding="utf-8")
|
| 1031 |
+
|
| 1032 |
+
samples = collect_mmu_desi(
|
| 1033 |
+
cache_file=Path(args.cache_dir) / f"desi_{args.max_samples}.pt",
|
| 1034 |
+
max_samples=args.max_samples,
|
| 1035 |
+
dataset_name=args.dataset_name,
|
| 1036 |
+
hf_cache_dir=args.hf_cache_dir,
|
| 1037 |
+
refresh=args.refresh_data,
|
| 1038 |
+
)
|
| 1039 |
+
stats = compute_sample_stats(samples)
|
| 1040 |
+
(run_dir / "data_stats.json").write_text(json.dumps(stats.__dict__, indent=2), encoding="utf-8")
|
| 1041 |
+
print("DATA_STATS", json.dumps(stats.__dict__, sort_keys=True))
|
| 1042 |
+
|
| 1043 |
+
train_idx, val_idx = split_indices(len(samples), val_fraction=0.15, seed=args.seed)
|
| 1044 |
+
if args.train_clean_only:
|
| 1045 |
+
clean_train = np.asarray([not bool(samples[int(i)]["zwarn"]) for i in train_idx], dtype=np.bool_)
|
| 1046 |
+
train_idx = train_idx[clean_train]
|
| 1047 |
+
if len(train_idx) == 0:
|
| 1048 |
+
raise RuntimeError("No clean ZWARN==0 samples are available for --train-clean-only.")
|
| 1049 |
+
print(f"TRAIN_CLEAN_ONLY n_train={len(train_idx)}")
|
| 1050 |
+
|
| 1051 |
+
sampler = None
|
| 1052 |
+
if args.balance_redshift or args.clean_sample_boost != 1.0:
|
| 1053 |
+
weights = np.ones(len(train_idx), dtype=np.float32)
|
| 1054 |
+
y_train = np.asarray([np.log1p(float(samples[int(i)]["z"])) for i in train_idx], dtype=np.float32)
|
| 1055 |
+
if args.balance_redshift:
|
| 1056 |
+
bins = np.linspace(float(y_train.min()), float(y_train.max()) + 1e-6, 28)
|
| 1057 |
+
bin_id = np.clip(np.digitize(y_train, bins) - 1, 0, len(bins) - 2)
|
| 1058 |
+
counts = np.bincount(bin_id, minlength=len(bins) - 1).astype(np.float32)
|
| 1059 |
+
weights *= 1.0 / np.maximum(counts[bin_id], 1.0)
|
| 1060 |
+
if args.clean_sample_boost != 1.0:
|
| 1061 |
+
clean = np.asarray([not bool(samples[int(i)]["zwarn"]) for i in train_idx], dtype=np.bool_)
|
| 1062 |
+
weights *= np.where(clean, float(args.clean_sample_boost), 1.0).astype(np.float32)
|
| 1063 |
+
weights = weights / weights.mean()
|
| 1064 |
+
sampler = WeightedRandomSampler(torch.as_tensor(weights, dtype=torch.double), num_samples=len(weights), replacement=True)
|
| 1065 |
+
|
| 1066 |
+
train_cfg = RawCollatorConfig(
|
| 1067 |
+
target_length=args.target_length,
|
| 1068 |
+
random_mask_ratio=args.random_mask_ratio,
|
| 1069 |
+
eval_mask_ratio=args.eval_mask_ratio,
|
| 1070 |
+
mask_mode=args.mask_mode,
|
| 1071 |
+
mask_span_min=args.mask_span_min,
|
| 1072 |
+
mask_span_max=args.mask_span_max,
|
| 1073 |
+
line_region_percentile=args.line_region_percentile,
|
| 1074 |
+
augment_ood=args.augment_ood,
|
| 1075 |
+
crop_prob=args.crop_prob,
|
| 1076 |
+
bad_window_prob=args.bad_window_prob,
|
| 1077 |
+
throughput_prob=args.throughput_prob,
|
| 1078 |
+
noise_prob=args.noise_prob,
|
| 1079 |
+
resolution_prob=args.resolution_prob,
|
| 1080 |
+
downsample_prob=args.downsample_prob,
|
| 1081 |
+
line_dropout_prob=args.line_dropout_prob,
|
| 1082 |
+
span_dropout_prob=args.span_dropout_prob,
|
| 1083 |
+
redshift_shift=args.redshift_shift,
|
| 1084 |
+
)
|
| 1085 |
+
val_cfg = RawCollatorConfig(
|
| 1086 |
+
target_length=args.target_length,
|
| 1087 |
+
eval_mask_ratio=args.eval_mask_ratio,
|
| 1088 |
+
mask_mode=args.mask_mode,
|
| 1089 |
+
mask_span_min=args.mask_span_min,
|
| 1090 |
+
mask_span_max=args.mask_span_max,
|
| 1091 |
+
line_region_percentile=args.line_region_percentile,
|
| 1092 |
+
)
|
| 1093 |
+
ood_cfg = RawCollatorConfig(
|
| 1094 |
+
target_length=args.target_length,
|
| 1095 |
+
eval_mask_ratio=args.eval_mask_ratio,
|
| 1096 |
+
mask_mode=args.mask_mode,
|
| 1097 |
+
mask_span_min=args.mask_span_min,
|
| 1098 |
+
mask_span_max=args.mask_span_max,
|
| 1099 |
+
line_region_percentile=args.line_region_percentile,
|
| 1100 |
+
augment_ood=True,
|
| 1101 |
+
crop_prob=0.65,
|
| 1102 |
+
bad_window_prob=0.45,
|
| 1103 |
+
throughput_prob=0.65,
|
| 1104 |
+
noise_prob=0.35,
|
| 1105 |
+
resolution_prob=0.45,
|
| 1106 |
+
downsample_prob=0.35,
|
| 1107 |
+
)
|
| 1108 |
+
train_loader = make_loader(samples, train_idx, train_cfg, args, train=True, sampler=sampler)
|
| 1109 |
+
val_loader = make_loader(samples, val_idx, val_cfg, args, train=False)
|
| 1110 |
+
ood_loader = make_loader(samples, val_idx, ood_cfg, args, train=False) if args.eval_ood else None
|
| 1111 |
+
|
| 1112 |
+
device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
|
| 1113 |
+
model = HybridSpecZ(
|
| 1114 |
+
d_model=args.d_model,
|
| 1115 |
+
conv_width=args.conv_width,
|
| 1116 |
+
layers=args.layers,
|
| 1117 |
+
heads=args.heads,
|
| 1118 |
+
dropout=args.dropout,
|
| 1119 |
+
z_bins=args.z_bins,
|
| 1120 |
+
stem_stride=args.stem_stride,
|
| 1121 |
+
rec_hidden_mult=args.rec_hidden_mult,
|
| 1122 |
+
rec_refine_width=args.rec_refine_width,
|
| 1123 |
+
rec_refine_kernel=args.rec_refine_kernel,
|
| 1124 |
+
layerscale_init=args.layerscale_init,
|
| 1125 |
+
prediction_mode=args.prediction_mode,
|
| 1126 |
+
bin_temperature=args.bin_temperature,
|
| 1127 |
+
residual_scale=args.residual_scale,
|
| 1128 |
+
candidate_topk=args.candidate_topk,
|
| 1129 |
+
).to(device)
|
| 1130 |
+
if args.resume_checkpoint:
|
| 1131 |
+
ckpt = torch.load(args.resume_checkpoint, map_location=device, weights_only=False)
|
| 1132 |
+
state = ckpt["model"] if isinstance(ckpt, dict) and "model" in ckpt else ckpt
|
| 1133 |
+
load_checkpoint_into_model(model, state, allow_mismatched=args.allow_mismatched_checkpoint)
|
| 1134 |
+
print(f"RESUME_CHECKPOINT {args.resume_checkpoint}")
|
| 1135 |
+
n_params = sum(p.numel() for p in model.parameters())
|
| 1136 |
+
print(f"MODEL_PARAMS {n_params}")
|
| 1137 |
+
|
| 1138 |
+
optimizer = AdamW(model.parameters(), lr=args.lr, weight_decay=args.weight_decay, betas=(0.9, 0.95))
|
| 1139 |
+
rec_weight = args.rec_weight
|
| 1140 |
+
z_weight = args.z_weight
|
| 1141 |
+
z_bin_weight = args.z_bin_weight
|
| 1142 |
+
z_candidate_weight = args.z_candidate_weight
|
| 1143 |
+
z_nll_weight = args.z_nll_weight
|
| 1144 |
+
if args.objective == "rec_only":
|
| 1145 |
+
rec_weight = rec_weight if rec_weight > 0 else 1.0
|
| 1146 |
+
z_weight = 0.0
|
| 1147 |
+
z_bin_weight = 0.0
|
| 1148 |
+
z_candidate_weight = 0.0
|
| 1149 |
+
z_nll_weight = 0.0
|
| 1150 |
+
elif args.objective == "z_only":
|
| 1151 |
+
rec_weight = 0.0
|
| 1152 |
+
|
| 1153 |
+
loss_cfg = LossConfig(
|
| 1154 |
+
rec_weight=rec_weight,
|
| 1155 |
+
z_weight=z_weight,
|
| 1156 |
+
z_bin_weight=z_bin_weight,
|
| 1157 |
+
z_candidate_weight=z_candidate_weight,
|
| 1158 |
+
z_nll_weight=z_nll_weight,
|
| 1159 |
+
zwarn_weight=args.zwarn_weight,
|
| 1160 |
+
clean_z_only=args.clean_z_only,
|
| 1161 |
+
high_z_boost=args.high_z_boost,
|
| 1162 |
+
high_z_threshold=math.log1p(args.high_z_threshold),
|
| 1163 |
+
)
|
| 1164 |
+
best_score = math.inf
|
| 1165 |
+
global_step = 0
|
| 1166 |
+
micro_step = 0
|
| 1167 |
+
grad_accum_steps = max(1, int(args.grad_accum_steps))
|
| 1168 |
+
total_train_steps = args.max_steps if args.max_steps else int(math.ceil(len(train_loader) / grad_accum_steps) * args.epochs)
|
| 1169 |
+
model.train()
|
| 1170 |
+
optimizer.zero_grad(set_to_none=True)
|
| 1171 |
+
for epoch in range(args.epochs):
|
| 1172 |
+
pbar = tqdm(train_loader, desc=f"hybrid epoch {epoch}")
|
| 1173 |
+
for batch in pbar:
|
| 1174 |
+
micro_step += 1
|
| 1175 |
+
batch = move_to_device(batch, device)
|
| 1176 |
+
with torch.autocast(device_type="cuda", dtype=torch.bfloat16, enabled=device.type == "cuda"):
|
| 1177 |
+
out = model(batch["x"], batch["valid"], batch["loglam"])
|
| 1178 |
+
loss, parts = redshift_total_loss(model, out, batch, loss_cfg)
|
| 1179 |
+
(loss / grad_accum_steps).backward()
|
| 1180 |
+
if micro_step % grad_accum_steps != 0:
|
| 1181 |
+
pbar.set_postfix(
|
| 1182 |
+
loss=float(parts["loss"].detach().cpu()),
|
| 1183 |
+
rec=float(parts["rec"].detach().cpu()),
|
| 1184 |
+
huber=float(parts["z_huber"].detach().cpu()),
|
| 1185 |
+
accum=f"{micro_step % grad_accum_steps}/{grad_accum_steps}",
|
| 1186 |
+
)
|
| 1187 |
+
continue
|
| 1188 |
+
next_step = global_step + 1
|
| 1189 |
+
lr_now = scheduled_lr(args.lr, args.min_lr, next_step, total_train_steps, int(args.warmup_steps))
|
| 1190 |
+
for group in optimizer.param_groups:
|
| 1191 |
+
group["lr"] = lr_now
|
| 1192 |
+
grad_norm = torch.nn.utils.clip_grad_norm_(model.parameters(), args.grad_clip)
|
| 1193 |
+
optimizer.step()
|
| 1194 |
+
optimizer.zero_grad(set_to_none=True)
|
| 1195 |
+
global_step = next_step
|
| 1196 |
+
pbar.set_postfix(
|
| 1197 |
+
loss=float(parts["loss"].detach().cpu()),
|
| 1198 |
+
rec=float(parts["rec"].detach().cpu()),
|
| 1199 |
+
huber=float(parts["z_huber"].detach().cpu()),
|
| 1200 |
+
lr=lr_now,
|
| 1201 |
+
grad=float(grad_norm.detach().cpu()) if torch.is_tensor(grad_norm) else float(grad_norm),
|
| 1202 |
+
)
|
| 1203 |
+
if global_step == 1 or global_step % args.eval_every == 0:
|
| 1204 |
+
val_metrics = evaluate(
|
| 1205 |
+
model,
|
| 1206 |
+
val_loader,
|
| 1207 |
+
loss_cfg,
|
| 1208 |
+
device,
|
| 1209 |
+
run_dir,
|
| 1210 |
+
global_step,
|
| 1211 |
+
prefix="val",
|
| 1212 |
+
max_batches=None,
|
| 1213 |
+
max_examples=args.eval_max_val,
|
| 1214 |
+
)
|
| 1215 |
+
print("VAL", global_step, json.dumps(val_metrics, sort_keys=True))
|
| 1216 |
+
ood_metrics = None
|
| 1217 |
+
if ood_loader is not None:
|
| 1218 |
+
ood_metrics = evaluate(
|
| 1219 |
+
model,
|
| 1220 |
+
ood_loader,
|
| 1221 |
+
loss_cfg,
|
| 1222 |
+
device,
|
| 1223 |
+
run_dir,
|
| 1224 |
+
global_step,
|
| 1225 |
+
prefix="ood",
|
| 1226 |
+
max_batches=None,
|
| 1227 |
+
max_examples=args.eval_max_ood,
|
| 1228 |
+
)
|
| 1229 |
+
print("OOD", global_step, json.dumps(ood_metrics, sort_keys=True))
|
| 1230 |
+
score = checkpoint_score(args.checkpoint_score, val_metrics, ood_metrics, z_alpha=args.score_z_alpha)
|
| 1231 |
+
if score < best_score:
|
| 1232 |
+
best_score = score
|
| 1233 |
+
best_metrics = {"step": global_step, "score": best_score, **val_metrics}
|
| 1234 |
+
if ood_metrics is not None:
|
| 1235 |
+
best_metrics.update(ood_metrics)
|
| 1236 |
+
torch.save(
|
| 1237 |
+
{"model": model.state_dict(), "args": vars(args), "step": global_step, "score": best_score, "metrics": best_metrics},
|
| 1238 |
+
run_dir / "best.pt",
|
| 1239 |
+
)
|
| 1240 |
+
(run_dir / "best_metrics.json").write_text(json.dumps(best_metrics, indent=2), encoding="utf-8")
|
| 1241 |
+
if args.max_steps and global_step >= args.max_steps:
|
| 1242 |
+
break
|
| 1243 |
+
if args.max_steps and global_step >= args.max_steps:
|
| 1244 |
+
break
|
| 1245 |
+
|
| 1246 |
+
final_metrics = evaluate(
|
| 1247 |
+
model,
|
| 1248 |
+
val_loader,
|
| 1249 |
+
loss_cfg,
|
| 1250 |
+
device,
|
| 1251 |
+
run_dir,
|
| 1252 |
+
global_step,
|
| 1253 |
+
prefix="val",
|
| 1254 |
+
max_batches=None,
|
| 1255 |
+
max_examples=args.eval_max_val,
|
| 1256 |
+
)
|
| 1257 |
+
if ood_loader is not None:
|
| 1258 |
+
final_metrics.update(
|
| 1259 |
+
evaluate(
|
| 1260 |
+
model,
|
| 1261 |
+
ood_loader,
|
| 1262 |
+
loss_cfg,
|
| 1263 |
+
device,
|
| 1264 |
+
run_dir,
|
| 1265 |
+
global_step,
|
| 1266 |
+
prefix="ood",
|
| 1267 |
+
max_batches=None,
|
| 1268 |
+
max_examples=args.eval_max_ood,
|
| 1269 |
+
)
|
| 1270 |
+
)
|
| 1271 |
+
torch.save({"model": model.state_dict(), "args": vars(args), "step": global_step, "metrics": final_metrics}, run_dir / "last.pt")
|
| 1272 |
+
(run_dir / "final_metrics.json").write_text(json.dumps(final_metrics, indent=2), encoding="utf-8")
|
| 1273 |
+
print("FINAL", json.dumps(final_metrics, sort_keys=True))
|
| 1274 |
+
print("RUN_DIR", run_dir)
|
| 1275 |
+
|
| 1276 |
+
|
| 1277 |
+
if __name__ == "__main__":
|
| 1278 |
+
main()
|