File size: 13,834 Bytes
8c5a642
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
"""TR-level HRF regressor and z-score alignment utilities."""

from __future__ import annotations

from dataclasses import asdict, dataclass
from pathlib import Path
from typing import Any

import nibabel as nib
import numpy as np
import pandas as pd


def _zscore_columns(values: np.ndarray, eps: float = 1e-8) -> np.ndarray:
    mean = np.mean(values, axis=0, keepdims=True)
    std = np.std(values, axis=0, keepdims=True)
    std[std < eps] = 1.0
    return ((values - mean) / std).astype(np.float32)


def _trim_time_axis(values: np.ndarray, trim_start_tr: int, trim_end_tr: int) -> np.ndarray:
    if trim_start_tr < 0 or trim_end_tr < 0:
        raise ValueError("trim_start_tr and trim_end_tr must be non-negative")

    start = int(trim_start_tr)
    stop = values.shape[0] - int(trim_end_tr)

    if start >= stop:
        raise ValueError(
            "Trimming removed all time points: "
            f"n_tr={values.shape[0]}, trim_start={trim_start_tr}, trim_end={trim_end_tr}"
        )

    return values[start:stop]


def _format_tr_for_filename(tr_seconds: float) -> str:
    return f"{tr_seconds:.4f}".replace(".", "p")


def _assert_same_grid(img: nib.Nifti1Image, reference_img: nib.Nifti1Image, atol: float = 1e-5) -> None:
    if img.shape[:3] != reference_img.shape:
        raise ValueError(
            "Image shape mismatch against analysis mask grid: "
            f"image={img.shape[:3]}, reference={reference_img.shape}"
        )
    if not np.allclose(img.affine, reference_img.affine, atol=atol):
        raise ValueError("Image affine mismatch against analysis mask grid")


def _extract_masked_bold_2d(
    bold_path: Path,
    analysis_mask_bool: np.ndarray,
    analysis_mask_img: nib.Nifti1Image,
) -> np.ndarray:
    img = nib.load(str(bold_path))
    if len(img.shape) != 4:
        raise ValueError(f"Expected 4D BOLD image, got shape={img.shape} for {bold_path}")

    _assert_same_grid(img=img, reference_img=analysis_mask_img)

    data = np.asanyarray(img.dataobj)
    # Convert from (x,y,z,t) to (t,voxels)
    bold_2d = data[analysis_mask_bool, :].T.astype(np.float32)
    return bold_2d


def compute_hrf_regressor_matrix(
    word_features: np.ndarray,
    onsets_s: np.ndarray,
    offsets_s: np.ndarray,
    tr_seconds: float,
    n_volumes: int,
    hrf_model: str,
) -> np.ndarray:
    """Build TR-level HRF-convolved regressors from word-level features."""
    from nilearn.glm.first_level import compute_regressor

    if word_features.ndim != 2:
        raise ValueError("word_features must be 2D: (n_words, hidden_dim)")

    if onsets_s.shape[0] != word_features.shape[0] or offsets_s.shape[0] != word_features.shape[0]:
        raise ValueError("onset/offset lengths must match n_words in word_features")

    durations = offsets_s - onsets_s
    frame_times = np.arange(n_volumes, dtype=np.float64) * float(tr_seconds) + 0.5 * float(tr_seconds)

    regressors = np.zeros((int(n_volumes), int(word_features.shape[1])), dtype=np.float32)

    for feature_index in range(word_features.shape[1]):
        amplitudes = word_features[:, feature_index].astype(np.float64)
        exp_condition = np.array([onsets_s, durations, amplitudes], dtype=np.float64)
        signal, _ = compute_regressor(exp_condition, hrf_model, frame_times)
        regressors[:, feature_index] = signal[:, 0].astype(np.float32)

    return regressors


@dataclass(frozen=True)
class BoldAlignmentRecord:
    """Summary for one subject-run BOLD alignment artifact."""

    subject: str
    run: int
    tr_seconds: float
    n_volumes_raw: int
    n_tr_aligned: int
    n_voxels: int
    trim_start_tr: int
    trim_end_tr: int
    bold_z_path: str


@dataclass(frozen=True)
class RegressorAlignmentRecord:
    """Summary for one model-run-layer regressor artifact."""

    model_id: str
    model_slug: str
    run: int
    tr_seconds: float
    n_volumes_raw: int
    n_tr_aligned: int
    layer_idx: int
    n_features: int
    trim_start_tr: int
    trim_end_tr: int
    hrf_model: str
    regressor_z_path: str


def build_and_cache_alignment_inputs(
    manifest_df: pd.DataFrame,
    run_events_df: pd.DataFrame,
    feature_summary_df: pd.DataFrame,
    analysis_mask_path: Path,
    output_dir: Path,
    trim_start_tr: int,
    trim_end_tr: int,
    hrf_model: str,
    overwrite: bool,
    alignment_subjects: list[str] | None = None,
) -> tuple[pd.DataFrame, pd.DataFrame, dict[str, Any]]:
    """Cache z-scored BOLD targets and HRF-convolved z-scored regressors."""
    if manifest_df.empty:
        raise ValueError("Manifest is empty; cannot build alignment inputs")
    if run_events_df.empty:
        raise ValueError("run_events_df is empty; cannot build regressors")
    if feature_summary_df.empty:
        raise ValueError("feature_summary_df is empty; feature extraction must run first")

    required_manifest_columns = {"subject", "run", "tr_seconds", "n_volumes", "derivatives_bold_path"}
    missing_manifest = required_manifest_columns.difference(manifest_df.columns)
    if missing_manifest:
        raise ValueError(f"manifest_df missing required columns: {sorted(missing_manifest)}")

    required_feature_columns = {"model_id", "model_slug", "run", "features_npz_path"}
    missing_feature = required_feature_columns.difference(feature_summary_df.columns)
    if missing_feature:
        raise ValueError(f"feature_summary_df missing required columns: {sorted(missing_feature)}")

    analysis_mask_img = nib.load(str(analysis_mask_path))
    analysis_mask_bool = analysis_mask_img.get_fdata() > 0.5

    manifest_alignment_df = manifest_df
    requested_subjects = [value for value in (alignment_subjects or []) if str(value).strip()]
    if requested_subjects:
        subject_set = {str(value) for value in requested_subjects}
        manifest_alignment_df = manifest_df[manifest_df["subject"].isin(subject_set)].copy()
        if manifest_alignment_df.empty:
            raise ValueError(
                "Alignment subject filter produced no rows. "
                f"Requested subjects={sorted(subject_set)}"
            )

    output_dir = output_dir.resolve()
    bold_output_dir = output_dir / "bold_z"
    regressor_output_dir = output_dir / "regressors"
    bold_output_dir.mkdir(parents=True, exist_ok=True)
    regressor_output_dir.mkdir(parents=True, exist_ok=True)

    bold_rows: list[BoldAlignmentRecord] = []

    for row in manifest_alignment_df.itertuples(index=False):
        subject = str(getattr(row, "subject"))
        run = int(getattr(row, "run"))
        tr_seconds = float(getattr(row, "tr_seconds"))
        n_volumes = int(getattr(row, "n_volumes"))
        bold_path = Path(str(getattr(row, "derivatives_bold_path")))

        bold_z_path = bold_output_dir / f"{subject}_run-{run:02d}_bold_z.npy"
        if bold_z_path.exists() and not overwrite:
            aligned_bold = np.load(bold_z_path)
        else:
            bold_2d = _extract_masked_bold_2d(
                bold_path=bold_path,
                analysis_mask_bool=analysis_mask_bool,
                analysis_mask_img=analysis_mask_img,
            )

            if bold_2d.shape[0] != n_volumes:
                raise ValueError(
                    f"BOLD volume mismatch for {subject} run {run}: "
                    f"manifest={n_volumes}, loaded={bold_2d.shape[0]}"
                )

            aligned_bold = _trim_time_axis(
                values=bold_2d,
                trim_start_tr=trim_start_tr,
                trim_end_tr=trim_end_tr,
            )
            aligned_bold = _zscore_columns(aligned_bold)
            np.save(bold_z_path, aligned_bold)

        bold_rows.append(
            BoldAlignmentRecord(
                subject=subject,
                run=run,
                tr_seconds=tr_seconds,
                n_volumes_raw=n_volumes,
                n_tr_aligned=int(aligned_bold.shape[0]),
                n_voxels=int(aligned_bold.shape[1]),
                trim_start_tr=int(trim_start_tr),
                trim_end_tr=int(trim_end_tr),
                bold_z_path=str(bold_z_path),
            )
        )

    regressor_rows: list[RegressorAlignmentRecord] = []

    # Compute run configuration keys from manifest; regressors depend on run + TR + n_volumes.
    run_config_map: dict[int, list[tuple[float, int]]] = {}
    for run, group_df in manifest_alignment_df.groupby("run"):
        unique_pairs = sorted(
            {(float(tr), int(n_vol)) for tr, n_vol in zip(group_df["tr_seconds"], group_df["n_volumes"])},
            key=lambda pair: (pair[0], pair[1]),
        )
        run_config_map[int(run)] = unique_pairs

    for feature_row in feature_summary_df.itertuples(index=False):
        model_id = str(getattr(feature_row, "model_id"))
        model_slug = str(getattr(feature_row, "model_slug"))
        run = int(getattr(feature_row, "run"))
        features_npz_path = Path(str(getattr(feature_row, "features_npz_path")))

        if run not in run_config_map:
            continue

        run_events = run_events_df[run_events_df["run"] == run].sort_values("word_index")
        onsets_s = run_events["onset_s"].to_numpy(dtype=np.float64)
        offsets_s = run_events["offset_s"].to_numpy(dtype=np.float64)

        feature_bundle = np.load(features_npz_path)
        layer_keys = sorted(
            [key for key in feature_bundle.files if key.startswith("layer_")],
            key=lambda value: int(value.split("_")[1]),
        )

        for tr_seconds, n_volumes in run_config_map[run]:
            tr_tag = _format_tr_for_filename(tr_seconds)

            model_regressor_dir = regressor_output_dir / model_slug
            model_regressor_dir.mkdir(parents=True, exist_ok=True)

            for layer_key in layer_keys:
                layer_idx = int(layer_key.split("_")[1])
                layer_features = np.asarray(feature_bundle[layer_key], dtype=np.float32)

                if layer_features.shape[0] != onsets_s.shape[0]:
                    raise ValueError(
                        f"Word count mismatch for model={model_id}, run={run}, layer={layer_idx}: "
                        f"features={layer_features.shape[0]}, events={onsets_s.shape[0]}"
                    )

                regressor_z_path = (
                    model_regressor_dir
                    / f"run-{run:02d}_tr-{tr_tag}_nvol-{n_volumes}_layer-{layer_idx:03d}_regressor_z.npy"
                )

                if regressor_z_path.exists() and not overwrite:
                    regressors_aligned = np.load(regressor_z_path)
                else:
                    regressors = compute_hrf_regressor_matrix(
                        word_features=layer_features,
                        onsets_s=onsets_s,
                        offsets_s=offsets_s,
                        tr_seconds=tr_seconds,
                        n_volumes=n_volumes,
                        hrf_model=hrf_model,
                    )
                    regressors_aligned = _trim_time_axis(
                        values=regressors,
                        trim_start_tr=trim_start_tr,
                        trim_end_tr=trim_end_tr,
                    )
                    regressors_aligned = _zscore_columns(regressors_aligned)
                    np.save(regressor_z_path, regressors_aligned)

                regressor_rows.append(
                    RegressorAlignmentRecord(
                        model_id=model_id,
                        model_slug=model_slug,
                        run=run,
                        tr_seconds=tr_seconds,
                        n_volumes_raw=n_volumes,
                        n_tr_aligned=int(regressors_aligned.shape[0]),
                        layer_idx=layer_idx,
                        n_features=int(regressors_aligned.shape[1]),
                        trim_start_tr=int(trim_start_tr),
                        trim_end_tr=int(trim_end_tr),
                        hrf_model=hrf_model,
                        regressor_z_path=str(regressor_z_path),
                    )
                )

    bold_summary_df = pd.DataFrame([asdict(row) for row in bold_rows])
    if not bold_summary_df.empty:
        bold_summary_df = bold_summary_df.sort_values(["subject", "run"]).reset_index(drop=True)

    regressor_summary_df = pd.DataFrame([asdict(row) for row in regressor_rows])
    if not regressor_summary_df.empty:
        regressor_summary_df = regressor_summary_df.sort_values(
            ["model_slug", "run", "layer_idx", "tr_seconds", "n_volumes_raw"]
        ).reset_index(drop=True)

    alignment_qc: dict[str, Any] = {
        "analysis_mask_path": str(analysis_mask_path),
        "hrf_model": hrf_model,
        "trim_start_tr": int(trim_start_tr),
        "trim_end_tr": int(trim_end_tr),
        "alignment_subjects": sorted({str(value) for value in manifest_alignment_df["subject"].tolist()}),
        "n_bold_rows": int(len(bold_summary_df)),
        "n_regressor_rows": int(len(regressor_summary_df)),
    }

    if not bold_summary_df.empty:
        alignment_qc["bold_n_tr_min"] = int(bold_summary_df["n_tr_aligned"].min())
        alignment_qc["bold_n_tr_max"] = int(bold_summary_df["n_tr_aligned"].max())
        alignment_qc["bold_n_voxels_min"] = int(bold_summary_df["n_voxels"].min())
        alignment_qc["bold_n_voxels_max"] = int(bold_summary_df["n_voxels"].max())

    if not regressor_summary_df.empty:
        alignment_qc["regressor_n_tr_min"] = int(regressor_summary_df["n_tr_aligned"].min())
        alignment_qc["regressor_n_tr_max"] = int(regressor_summary_df["n_tr_aligned"].max())
        alignment_qc["regressor_n_features_min"] = int(regressor_summary_df["n_features"].min())
        alignment_qc["regressor_n_features_max"] = int(regressor_summary_df["n_features"].max())

    return bold_summary_df, regressor_summary_df, alignment_qc