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Download code/train.py from WildfireIA/Anonymous-WildfireIA: direct link, hf CLI and curl.
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https://huggingface.co/datasets/WildfireIA/Anonymous-WildfireIA/resolve/refs%2Fpr%2F1/code/train.py
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hf download hf://datasets/WildfireIA/Anonymous-WildfireIA@refs/pr/1/code/train.py
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curl -L -o train.py https://huggingface.co/datasets/WildfireIA/Anonymous-WildfireIA/resolve/refs%2Fpr%2F1/code/train.py
117 kB
| from __future__ import annotations | |
| import argparse | |
| import json | |
| import math | |
| import os | |
| import pickle | |
| import random | |
| import shutil | |
| import time | |
| from datetime import datetime, timezone | |
| from pathlib import Path | |
| from typing import Any | |
| import numpy as np | |
| import pandas as pd | |
| import matplotlib | |
| matplotlib.use("Agg") | |
| import matplotlib.pyplot as plt | |
| from scipy.stats import pearsonr, spearmanr | |
| from sklearn.linear_model import LogisticRegression, Ridge | |
| from sklearn.metrics import ( | |
| average_precision_score, | |
| balanced_accuracy_score, | |
| brier_score_loss, | |
| f1_score, | |
| log_loss, | |
| mean_absolute_error, | |
| mean_squared_error, | |
| median_absolute_error, | |
| precision_score, | |
| r2_score, | |
| recall_score, | |
| roc_auc_score, | |
| ) | |
| PROJECT_ROOT = Path(".") | |
| MODEL_READY_ROOT = Path("data/cache/model_ready") | |
| EXPERIMENT_ROOT = Path("experiments") | |
| MODEL_REGISTRY = { | |
| "logistic_regression": {"families": ["tabular"], "implemented": True}, | |
| "xgboost": {"families": ["tabular"], "implemented": True}, | |
| "mlp": {"families": ["tabular"], "implemented": True}, | |
| "gru": {"families": ["temporal", "sequence"], "implemented": True}, | |
| "tcn": {"families": ["temporal", "sequence"], "implemented": True}, | |
| "transformer": {"families": ["temporal", "sequence"], "implemented": True}, | |
| "resnet18_unet": {"families": ["spatial"], "implemented": True}, | |
| "resnet50_unet": {"families": ["spatial"], "implemented": True}, | |
| "swin_unet": {"families": ["spatial"], "implemented": True}, | |
| "segformer": {"families": ["spatial"], "implemented": True}, | |
| "convlstm": {"families": ["spatiotemporal"], "implemented": True}, | |
| "convgru": {"families": ["spatiotemporal"], "implemented": True}, | |
| "predrnn_v2": {"families": ["spatiotemporal"], "implemented": True}, | |
| "utae": {"families": ["spatiotemporal"], "implemented": True}, | |
| "swinlstm": {"families": ["spatiotemporal"], "implemented": True}, | |
| "resnet3d": {"families": ["spatiotemporal"], "implemented": True}, | |
| } | |
| def created_at() -> str: | |
| return datetime.now(timezone.utc).isoformat() | |
| def ensure_project_path(path: Path) -> Path: | |
| resolved = path.resolve() | |
| if not str(resolved).startswith(str(PROJECT_ROOT)): | |
| raise ValueError(f"Path must stay inside {PROJECT_ROOT}: {resolved}") | |
| return resolved | |
| def json_ready(value): | |
| if isinstance(value, Path): | |
| return str(value) | |
| if isinstance(value, np.generic): | |
| return value.item() | |
| if isinstance(value, np.ndarray): | |
| return value.tolist() | |
| if isinstance(value, dict): | |
| return {str(k): json_ready(v) for k, v in value.items()} | |
| if isinstance(value, (list, tuple)): | |
| return [json_ready(v) for v in value] | |
| return value | |
| def write_json(path: Path, payload: dict) -> None: | |
| path.parent.mkdir(parents=True, exist_ok=True) | |
| with path.open("w", encoding="utf-8") as file: | |
| json.dump(json_ready(payload), file, indent=2, sort_keys=True) | |
| file.write("\n") | |
| def set_seed(seed: int) -> None: | |
| random.seed(seed) | |
| np.random.seed(seed) | |
| try: | |
| import torch | |
| torch.manual_seed(seed) | |
| torch.cuda.manual_seed_all(seed) | |
| torch.backends.cudnn.deterministic = False | |
| torch.backends.cudnn.benchmark = True | |
| except Exception: | |
| pass | |
| def sigmoid(x: np.ndarray) -> np.ndarray: | |
| x = np.asarray(x, dtype=np.float64) | |
| return 1.0 / (1.0 + np.exp(-np.clip(x, -80, 80))) | |
| def safe_logit(p: np.ndarray) -> np.ndarray: | |
| p = np.asarray(p, dtype=np.float64) | |
| p = np.clip(p, 1e-7, 1.0 - 1e-7) | |
| return np.log(p / (1.0 - p)) | |
| def output_model_name(task: str, model_name: str) -> str: | |
| if task == "containment_time" and model_name == "logistic_regression": | |
| return "ridge_regression" | |
| return model_name | |
| def cache_representation_name(representation: str) -> str: | |
| return "temporal" if representation == "sequence" else representation | |
| def canonical_representation_name(representation: str) -> str: | |
| return "temporal" if representation == "sequence" else representation | |
| def cache_dir(base_dir: Path, task: str, representation: str, weather_days: int, input_protocol: str) -> Path: | |
| rep = cache_representation_name(representation) | |
| primary = base_dir / MODEL_READY_ROOT / task / rep / f"weather{weather_days}_{input_protocol}" | |
| if primary.exists(): | |
| return primary | |
| if representation == "sequence": | |
| fallback = base_dir / MODEL_READY_ROOT / task / "sequence" / f"weather{weather_days}_{input_protocol}" | |
| if fallback.exists(): | |
| return fallback | |
| return primary | |
| def run_dir( | |
| base_dir: Path, | |
| task: str, | |
| experiment_type: str, | |
| ablation_name: str | None, | |
| run_tag: str | None, | |
| representation: str, | |
| weather_days: int, | |
| input_protocol: str, | |
| model_name: str, | |
| seed: int, | |
| ) -> Path: | |
| if experiment_type == "ablation" and ablation_name == "protocol_sweep" and run_tag: | |
| return ( | |
| base_dir | |
| / EXPERIMENT_ROOT | |
| / task | |
| / "ablation" | |
| / "protocol_sweep" | |
| / run_tag | |
| / representation | |
| / f"weather{weather_days}_{input_protocol}" | |
| / f"{model_name}_seed{seed}" | |
| ) | |
| if experiment_type == "ablation" and ablation_name: | |
| return ( | |
| base_dir | |
| / EXPERIMENT_ROOT | |
| / task | |
| / "ablation" | |
| / ablation_name | |
| / representation | |
| / f"weather{weather_days}_{input_protocol}" | |
| / f"{model_name}_seed{seed}" | |
| ) | |
| return ( | |
| base_dir | |
| / EXPERIMENT_ROOT | |
| / task | |
| / experiment_type | |
| / representation | |
| / f"weather{weather_days}_{input_protocol}" | |
| / f"{model_name}_seed{seed}" | |
| ) | |
| def prepare_run_dir(path: Path, overwrite: bool) -> None: | |
| if path.exists(): | |
| if not overwrite: | |
| raise FileExistsError(f"Run directory already exists. Pass --overwrite to replace it: {path}") | |
| shutil.rmtree(path) | |
| path.mkdir(parents=True, exist_ok=True) | |
| def load_json_if_exists(path: Path) -> dict: | |
| if not path.exists(): | |
| return {} | |
| with path.open("r", encoding="utf-8") as file: | |
| return json.load(file) | |
| def is_temporal_representation(representation: str) -> bool: | |
| return representation in {"temporal", "sequence"} | |
| def load_split_array(cache: Path, split: str, representation: str) -> np.ndarray: | |
| if is_temporal_representation(representation): | |
| candidates = [cache / f"X_seq_{split}.npy", cache / f"X_{split}.npy"] | |
| else: | |
| candidates = [cache / f"X_{split}.npy"] | |
| for path in candidates: | |
| if path.exists(): | |
| mmap_mode = "r" if canonical_representation_name(representation) in {"spatial", "spatiotemporal"} else None | |
| return np.load(path, mmap_mode=mmap_mode) | |
| raise FileNotFoundError(f"Missing X array for {split}. Tried: {candidates}") | |
| def finite_check_array(x: np.ndarray, max_exact_values: int = 50_000_000) -> bool: | |
| """Avoid a full multi-GB scan for patch caches during smoke runs.""" | |
| if x.size <= max_exact_values: | |
| return bool(np.isfinite(x).all()) | |
| rng = np.random.default_rng(0) | |
| sample_size = min(512, x.shape[0]) | |
| rows = rng.choice(x.shape[0], size=sample_size, replace=False) | |
| return bool(np.isfinite(x[rows]).all()) | |
| def load_cache(cache: Path, task: str, representation: str) -> dict[str, Any]: | |
| required_common = ["y", "fire_id", "sample_index"] | |
| data: dict[str, Any] = {"cache_dir": str(cache)} | |
| for split in ["train", "val", "test"]: | |
| for kind in required_common: | |
| suffix = "npy" if kind in {"y", "fire_id"} else "parquet" | |
| file = cache / f"{kind}_{split}.{suffix}" | |
| if not file.exists(): | |
| raise FileNotFoundError(f"Missing required cache file: {file}") | |
| if is_temporal_representation(representation): | |
| x_seq_path = cache / f"X_seq_{split}.npy" | |
| x_static_path = cache / f"X_static_{split}.npy" | |
| if not x_seq_path.exists() or not x_static_path.exists(): | |
| raise FileNotFoundError(f"Missing temporal cache arrays: {x_seq_path}, {x_static_path}") | |
| X = { | |
| "seq": np.load(x_seq_path), | |
| "static": np.load(x_static_path), | |
| } | |
| else: | |
| X = load_split_array(cache, split, representation) | |
| y = np.load(cache / f"y_{split}.npy") | |
| fire_id = np.load(cache / f"fire_id_{split}.npy", allow_pickle=True).astype(str) | |
| index = pd.read_parquet(cache / f"sample_index_{split}.parquet") | |
| data[split] = {"X": X, "y": y, "fire_id": fire_id, "index": index} | |
| data["metadata"] = load_json_if_exists(cache / "metadata.json") | |
| data["feature_names"] = load_json_if_exists(cache / "feature_names.json").get("feature_names", []) | |
| data["channel_names"] = load_json_if_exists(cache / "channel_names.json").get("channel_names", []) | |
| data["relative_days"] = load_json_if_exists(cache / "relative_days.json").get("relative_days", []) | |
| data["temporal_feature_names"] = load_json_if_exists(cache / "temporal_feature_names.json").get("feature_names", []) | |
| data["static_feature_names"] = load_json_if_exists(cache / "static_feature_names.json").get("feature_names", []) | |
| validate_cache(data, task) | |
| return data | |
| def validate_cache(data: dict[str, Any], task: str) -> None: | |
| target_col = "ia_failure_label" if task == "ia_failure" else "log_containment_hours" | |
| print("Pre-training cache validation") | |
| for split in ["train", "val", "test"]: | |
| X = data[split]["X"] | |
| y = data[split]["y"] | |
| fire_id = data[split]["fire_id"] | |
| index = data[split]["index"].copy() | |
| if isinstance(X, dict): | |
| x_len = len(X["seq"]) | |
| if len(X["static"]) != x_len: | |
| raise ValueError(f"{split}: X_seq and X_static lengths do not match.") | |
| x_shape = f"X_seq={X['seq'].shape}, X_static={X['static'].shape}" | |
| finite_ok = np.isfinite(X["seq"]).all() and np.isfinite(X["static"]).all() | |
| else: | |
| x_len = len(X) | |
| x_shape = f"X={X.shape}" | |
| finite_ok = finite_check_array(X) | |
| if x_len != len(y) or x_len != len(fire_id) or x_len != len(index): | |
| raise ValueError(f"{split}: X/y/fire_id/sample_index lengths do not match.") | |
| for col in ["fire_id", "year", "split"]: | |
| if col not in index.columns: | |
| raise ValueError(f"{split}: sample_index missing required column {col}") | |
| if target_col not in index.columns: | |
| raise ValueError(f"{split}: sample_index missing target column {target_col}") | |
| if not np.array_equal(index["fire_id"].astype(str).to_numpy(), fire_id): | |
| raise ValueError(f"{split}: fire_id array order does not match sample_index.") | |
| if task == "ia_failure": | |
| values = set(np.unique(y).astype(int).tolist()) | |
| if not values <= {0, 1}: | |
| raise ValueError(f"{split}: ia_failure y has invalid values: {values}") | |
| else: | |
| if not np.isfinite(y).all(): | |
| raise ValueError(f"{split}: containment_time y has non-finite values.") | |
| if not finite_ok: | |
| raise ValueError(f"{split}: X contains NaN or infinite values.") | |
| if task == "ia_failure": | |
| print(f" {split}: {x_shape}, N={len(y)}, positive_rate={float(np.mean(y)):.4f}") | |
| else: | |
| print( | |
| f" {split}: {x_shape}, N={len(y)}, y_log_mean={float(np.mean(y)):.4f}, " | |
| f"y_log_std={float(np.std(y)):.4f}" | |
| ) | |
| def device_info(device_arg: str, gpu_id: int | None) -> dict[str, Any]: | |
| info = {"device": "cpu", "gpu_name": None, "gpu_memory_total": None, "torch_cuda_available": False} | |
| try: | |
| import torch | |
| cuda_available = torch.cuda.is_available() | |
| info["torch_cuda_available"] = bool(cuda_available) | |
| if device_arg == "cuda" and not cuda_available: | |
| raise RuntimeError("CUDA requested but torch.cuda.is_available() is false.") | |
| if device_arg == "auto": | |
| device = "cuda" if cuda_available else "cpu" | |
| else: | |
| device = device_arg | |
| if device == "cuda": | |
| index = gpu_id if gpu_id is not None else 0 | |
| info["device"] = f"cuda:{index}" | |
| info["gpu_name"] = torch.cuda.get_device_name(index) | |
| info["gpu_memory_total"] = int(torch.cuda.get_device_properties(index).total_memory) | |
| else: | |
| info["device"] = "cpu" | |
| except ImportError: | |
| if device_arg == "cuda": | |
| raise | |
| return info | |
| def expected_calibration_error(y_true: np.ndarray, y_score: np.ndarray, n_bins: int = 15) -> float: | |
| y_true = np.asarray(y_true).astype(float) | |
| y_score = np.asarray(y_score).astype(float) | |
| edges = np.linspace(0.0, 1.0, n_bins + 1) | |
| ece = 0.0 | |
| for i in range(n_bins): | |
| lo, hi = edges[i], edges[i + 1] | |
| mask = (y_score >= lo) & (y_score <= hi if i == n_bins - 1 else y_score < hi) | |
| if not np.any(mask): | |
| continue | |
| confidence = float(np.mean(y_score[mask])) | |
| accuracy = float(np.mean(y_true[mask])) | |
| ece += float(np.mean(mask)) * abs(accuracy - confidence) | |
| return ece | |
| def precision_recall_at_k(y_true: np.ndarray, y_score: np.ndarray, percent: int) -> tuple[float, float]: | |
| n = len(y_true) | |
| k = max(1, int(math.ceil((percent / 100.0) * n))) | |
| order = np.argsort(-y_score)[:k] | |
| positives = float(np.sum(y_true == 1)) | |
| top_pos = float(np.sum(y_true[order] == 1)) | |
| precision = top_pos / k | |
| recall = top_pos / positives if positives > 0 else float("nan") | |
| return precision, recall | |
| def safe_metric(fn, default: float = float("nan")) -> float: | |
| try: | |
| return float(fn()) | |
| except Exception: | |
| return default | |
| def classification_metrics(y_true: np.ndarray, y_score: np.ndarray, threshold: float) -> dict[str, float]: | |
| y_true = np.asarray(y_true).astype(int) | |
| y_score = np.clip(np.asarray(y_score).astype(float), 1e-7, 1.0 - 1e-7) | |
| y_pred = (y_score >= threshold).astype(int) | |
| metrics = { | |
| "auprc": safe_metric(lambda: average_precision_score(y_true, y_score)), | |
| "auroc": safe_metric(lambda: roc_auc_score(y_true, y_score)), | |
| "f1": safe_metric(lambda: f1_score(y_true, y_pred, zero_division=0)), | |
| "precision": safe_metric(lambda: precision_score(y_true, y_pred, zero_division=0)), | |
| "recall": safe_metric(lambda: recall_score(y_true, y_pred, zero_division=0)), | |
| "balanced_accuracy": safe_metric(lambda: balanced_accuracy_score(y_true, y_pred)), | |
| "brier": safe_metric(lambda: brier_score_loss(y_true, y_score)), | |
| "bce": safe_metric(lambda: log_loss(y_true, y_score, labels=[0, 1])), | |
| "ece": expected_calibration_error(y_true, y_score), | |
| } | |
| for percent in [1, 5, 10]: | |
| precision, recall = precision_recall_at_k(y_true, y_score, percent) | |
| metrics[f"precision_at_{percent}"] = precision | |
| metrics[f"recall_at_{percent}"] = recall | |
| return metrics | |
| def score_logit_diagnostics(y_score: np.ndarray, prefix: str) -> dict[str, float]: | |
| score = np.clip(np.asarray(y_score).astype(float), 1e-7, 1.0 - 1e-7) | |
| logit = safe_logit(score) | |
| return { | |
| f"{prefix}_y_score_mean": float(np.mean(score)), | |
| f"{prefix}_y_score_std": float(np.std(score)), | |
| f"{prefix}_y_score_min": float(np.min(score)), | |
| f"{prefix}_y_score_max": float(np.max(score)), | |
| f"{prefix}_y_logit_mean": float(np.mean(logit)), | |
| f"{prefix}_y_logit_std": float(np.std(logit)), | |
| f"{prefix}_y_logit_min": float(np.min(logit)), | |
| f"{prefix}_y_logit_max": float(np.max(logit)), | |
| } | |
| def train_epoch_metrics(y_true: np.ndarray, y_score: np.ndarray) -> dict[str, float]: | |
| threshold, _ = best_f1_threshold(y_true, y_score) | |
| metrics = classification_metrics(y_true, y_score, threshold) | |
| return { | |
| "train_auprc": metrics["auprc"], | |
| "train_auroc": metrics["auroc"], | |
| "train_f1": metrics["f1"], | |
| } | |
| def subset_indices(y: np.ndarray, limit: int | None, seed: int) -> np.ndarray: | |
| n = len(y) | |
| if limit is None or limit >= n: | |
| return np.arange(n) | |
| if limit <= 0: | |
| raise ValueError("Sample limits must be positive when provided.") | |
| rng = np.random.default_rng(seed) | |
| y = np.asarray(y) | |
| if set(np.unique(y).astype(int).tolist()) <= {0, 1} and len(np.unique(y)) == 2: | |
| pos = np.where(y == 1)[0] | |
| neg = np.where(y == 0)[0] | |
| n_pos = max(1, int(round(limit * len(pos) / n))) | |
| n_pos = min(n_pos, len(pos), limit) | |
| n_neg = min(limit - n_pos, len(neg)) | |
| chosen = np.concatenate([rng.choice(pos, size=n_pos, replace=False), rng.choice(neg, size=n_neg, replace=False)]) | |
| if len(chosen) < limit: | |
| remaining = np.setdiff1d(np.arange(n), chosen, assume_unique=False) | |
| chosen = np.concatenate([chosen, rng.choice(remaining, size=limit - len(chosen), replace=False)]) | |
| return np.sort(chosen) | |
| return np.arange(limit) | |
| def subset_split(split_data: dict[str, Any], indices: np.ndarray) -> dict[str, Any]: | |
| X = split_data["X"] | |
| if isinstance(X, dict): | |
| X = {name: value[indices] for name, value in X.items()} | |
| else: | |
| X = X[indices] | |
| return { | |
| "X": X, | |
| "y": split_data["y"][indices], | |
| "fire_id": split_data["fire_id"][indices], | |
| "index": split_data["index"].iloc[indices].reset_index(drop=True), | |
| } | |
| def apply_debug_sample_limits(data: dict[str, Any], args) -> dict[str, Any]: | |
| limits = {"train": args.limit_train_samples, "val": args.limit_val_samples} | |
| if limits["train"] is None and limits["val"] is None: | |
| return data | |
| new_data = data.copy() | |
| for split, limit in limits.items(): | |
| if limit is not None: | |
| idx = subset_indices(data[split]["y"], int(limit), args.seed) | |
| new_data[split] = subset_split(data[split], idx) | |
| print(f"Debug subset: {split} limited to {len(idx)} samples.") | |
| return new_data | |
| def compute_channel_standardization_stats(X: np.ndarray, out_dir: Path, chunk_size: int = 256) -> tuple[np.ndarray, np.ndarray]: | |
| shape = X.shape | |
| if len(shape) == 4: | |
| channels = shape[1] | |
| reduce_axes = (0, 2, 3) | |
| count_per_sample = shape[2] * shape[3] | |
| elif len(shape) == 5: | |
| channels = shape[2] | |
| reduce_axes = (0, 1, 3, 4) | |
| count_per_sample = shape[1] * shape[3] * shape[4] | |
| else: | |
| raise ValueError(f"Channel standardization expects spatial or spatiotemporal X, got shape {shape}") | |
| total = np.zeros(channels, dtype=np.float64) | |
| total_sq = np.zeros(channels, dtype=np.float64) | |
| count = 0 | |
| for start_idx in range(0, len(X), chunk_size): | |
| arr = np.asarray(X[start_idx : start_idx + chunk_size], dtype=np.float32) | |
| total += arr.sum(axis=reduce_axes, dtype=np.float64) | |
| total_sq += np.square(arr, dtype=np.float32).sum(axis=reduce_axes, dtype=np.float64) | |
| count += arr.shape[0] * count_per_sample | |
| mean = total / max(1, count) | |
| var = np.maximum(total_sq / max(1, count) - mean**2, 0.0) | |
| std = np.sqrt(var) | |
| std[std < 1e-6] = 1.0 | |
| np.savez(out_dir / "channel_standardization_stats.npz", mean=mean.astype(np.float32), std=std.astype(np.float32)) | |
| return mean.astype(np.float32), std.astype(np.float32) | |
| def standardize_patch_batch(batch: np.ndarray, mean: np.ndarray | None, std: np.ndarray | None) -> np.ndarray: | |
| arr = np.asarray(batch, dtype=np.float32) | |
| if mean is None or std is None: | |
| return arr | |
| if arr.ndim == 4: | |
| return (arr - mean[None, :, None, None]) / std[None, :, None, None] | |
| if arr.ndim == 5: | |
| return (arr - mean[None, None, :, None, None]) / std[None, None, :, None, None] | |
| raise ValueError(f"Unexpected patch batch shape: {arr.shape}") | |
| def best_f1_threshold(y_true: np.ndarray, y_score: np.ndarray) -> tuple[float, float]: | |
| best_threshold = 0.5 | |
| best_f1 = -1.0 | |
| for threshold in np.arange(0.01, 1.0, 0.01): | |
| pred = (y_score >= threshold).astype(int) | |
| score = f1_score(y_true, pred, zero_division=0) | |
| if score > best_f1: | |
| best_f1 = float(score) | |
| best_threshold = float(threshold) | |
| return best_threshold, best_f1 | |
| def regression_metrics(y_true_log: np.ndarray, y_pred_log: np.ndarray, containment_hours_true: np.ndarray | None = None) -> dict[str, float]: | |
| y_true_log = np.asarray(y_true_log).astype(float) | |
| y_pred_log = np.asarray(y_pred_log).astype(float) | |
| if containment_hours_true is None: | |
| containment_hours_true = np.expm1(y_true_log) | |
| containment_hours_pred = np.maximum(0.0, np.expm1(y_pred_log)) | |
| return { | |
| "mae_hours": safe_metric(lambda: mean_absolute_error(containment_hours_true, containment_hours_pred)), | |
| "rmse_hours": safe_metric(lambda: mean_squared_error(containment_hours_true, containment_hours_pred, squared=False)), | |
| "median_ae_hours": safe_metric(lambda: median_absolute_error(containment_hours_true, containment_hours_pred)), | |
| "log_mae": safe_metric(lambda: mean_absolute_error(y_true_log, y_pred_log)), | |
| "log_rmse": safe_metric(lambda: mean_squared_error(y_true_log, y_pred_log, squared=False)), | |
| "r2": safe_metric(lambda: r2_score(y_true_log, y_pred_log)), | |
| "spearman": safe_metric(lambda: spearmanr(y_true_log, y_pred_log).correlation), | |
| "pearson": safe_metric(lambda: pearsonr(y_true_log, y_pred_log)[0]), | |
| } | |
| def classification_predictions(index: pd.DataFrame, y_true: np.ndarray, y_score: np.ndarray, threshold: float, model_name: str, seed: int) -> pd.DataFrame: | |
| score = np.clip(np.asarray(y_score).astype(float), 1e-7, 1.0 - 1e-7) | |
| pred = (score >= threshold).astype(int) | |
| return pd.DataFrame( | |
| { | |
| "fire_id": index["fire_id"].astype(str).to_numpy(), | |
| "year": index["year"].to_numpy(), | |
| "split": index["split"].to_numpy(), | |
| "y_true": y_true.astype(int), | |
| "y_score": score, | |
| "y_logit": safe_logit(score), | |
| "y_pred": pred, | |
| "threshold": threshold, | |
| "model_name": model_name, | |
| "seed": seed, | |
| } | |
| ) | |
| def regression_predictions(index: pd.DataFrame, y_true_log: np.ndarray, y_pred_log: np.ndarray, model_name: str, seed: int) -> pd.DataFrame: | |
| true_hours = index["containment_hours"].to_numpy(dtype=float) if "containment_hours" in index.columns else np.expm1(y_true_log) | |
| pred_hours = np.maximum(0.0, np.expm1(y_pred_log)) | |
| return pd.DataFrame( | |
| { | |
| "fire_id": index["fire_id"].astype(str).to_numpy(), | |
| "year": index["year"].to_numpy(), | |
| "split": index["split"].to_numpy(), | |
| "y_true_log": y_true_log, | |
| "y_pred_log": y_pred_log, | |
| "containment_hours_true": true_hours, | |
| "containment_hours_pred": pred_hours, | |
| "model_name": model_name, | |
| "seed": seed, | |
| } | |
| ) | |
| def base_metrics_payload(args, model_name: str, cache: Path, out_dir: Path, data: dict[str, Any], runtime_seconds: float, device: dict[str, Any]) -> dict[str, Any]: | |
| payload = { | |
| "task": args.task, | |
| "representation": args.representation, | |
| "model_name": model_name, | |
| "weather_days": args.weather_days, | |
| "input_protocol": args.input_protocol, | |
| "seed": args.seed, | |
| "train_size": int(len(data["train"]["y"])), | |
| "val_size": int(len(data["val"]["y"])), | |
| "test_size": int(len(data["test"]["y"])), | |
| "created_at": created_at(), | |
| "runtime_seconds": float(runtime_seconds), | |
| "device": device.get("device"), | |
| "gpu_name": device.get("gpu_name"), | |
| "gpu_memory_total": device.get("gpu_memory_total"), | |
| "input_cache_dir": str(cache), | |
| "output_dir": str(out_dir), | |
| "sampling_strategy": args.sampling_strategy, | |
| "grad_accum_steps": int(args.grad_accum_steps), | |
| "effective_batch_size": int((args.batch_size or default_batch_size(args.representation)) * args.grad_accum_steps), | |
| "standardize_channels": bool(args.standardize_channels), | |
| "limit_train_samples": args.limit_train_samples, | |
| "limit_val_samples": args.limit_val_samples, | |
| "disable_pos_weight": bool(args.disable_pos_weight), | |
| "pos_weight_scale": float(args.pos_weight_scale), | |
| "loss_type": args.loss_type, | |
| "label_smoothing": float(args.label_smoothing), | |
| "focal_gamma": float(args.focal_gamma), | |
| "lr_scheduler_type": args.lr_scheduler_type, | |
| "warmup_epochs": int(args.warmup_epochs), | |
| "min_lr_ratio": float(args.min_lr_ratio), | |
| } | |
| if args.task == "ia_failure": | |
| for split in ["train", "val", "test"]: | |
| y = data[split]["y"].astype(int) | |
| payload[f"{split}_positive"] = int(np.sum(y == 1)) | |
| payload[f"{split}_positive_rate"] = float(np.mean(y)) | |
| return payload | |
| def ia_pos_weight_settings(args, y_train: np.ndarray) -> tuple[float, float | None, str]: | |
| """Return raw/effective IA class weight settings without changing defaults.""" | |
| y = np.asarray(y_train).astype(int) | |
| num_pos = int(np.sum(y == 1)) | |
| num_neg = int(np.sum(y == 0)) | |
| raw_pos_weight = float(num_neg / max(1, num_pos)) | |
| if args.disable_pos_weight: | |
| return raw_pos_weight, None, "BCEWithLogitsLoss unweighted" | |
| effective_pos_weight = float(raw_pos_weight * args.pos_weight_scale) | |
| return raw_pos_weight, effective_pos_weight, "BCEWithLogitsLoss pos_weight" | |
| def bce_with_optional_pos_weight(nn_module, args, y_train: np.ndarray, torch_device): | |
| import torch | |
| class SmoothedBCEWithLogitsLoss(nn_module.Module): | |
| def __init__(self, pos_weight=None, smoothing: float = 0.0): | |
| super().__init__() | |
| self.register_buffer("pos_weight", pos_weight if pos_weight is not None else None) | |
| self.smoothing = float(smoothing) | |
| def forward(self, logits, targets): | |
| targets = targets.float() | |
| if self.smoothing > 0: | |
| targets = targets * (1.0 - self.smoothing) + 0.5 * self.smoothing | |
| return nn_module.functional.binary_cross_entropy_with_logits( | |
| logits, | |
| targets, | |
| pos_weight=self.pos_weight, | |
| ) | |
| class FocalWithLogitsLoss(nn_module.Module): | |
| def __init__(self, pos_weight=None, smoothing: float = 0.0, gamma: float = 2.0): | |
| super().__init__() | |
| self.register_buffer("pos_weight", pos_weight if pos_weight is not None else None) | |
| self.smoothing = float(smoothing) | |
| self.gamma = float(gamma) | |
| def forward(self, logits, targets): | |
| targets = targets.float() | |
| if self.smoothing > 0: | |
| targets = targets * (1.0 - self.smoothing) + 0.5 * self.smoothing | |
| bce = nn_module.functional.binary_cross_entropy_with_logits( | |
| logits, | |
| targets, | |
| pos_weight=self.pos_weight, | |
| reduction="none", | |
| ) | |
| prob = torch.sigmoid(logits) | |
| pt = prob * targets + (1.0 - prob) * (1.0 - targets) | |
| focal = (1.0 - pt).clamp(min=1e-6).pow(self.gamma) * bce | |
| return focal.mean() | |
| raw_pos_weight, effective_pos_weight, strategy = ia_pos_weight_settings(args, y_train) | |
| pos_weight_tensor = None | |
| if effective_pos_weight is None: | |
| strategy = f"{args.loss_type} unweighted" | |
| else: | |
| pos_weight_tensor = torch.tensor(effective_pos_weight, dtype=torch.float32, device=torch_device) | |
| strategy = f"{args.loss_type} pos_weight" | |
| if args.loss_type == "bce": | |
| criterion = SmoothedBCEWithLogitsLoss(pos_weight=pos_weight_tensor, smoothing=args.label_smoothing) | |
| elif args.loss_type == "focal": | |
| criterion = FocalWithLogitsLoss(pos_weight=pos_weight_tensor, smoothing=args.label_smoothing, gamma=args.focal_gamma) | |
| else: | |
| raise ValueError(f"Unsupported loss_type={args.loss_type}") | |
| criterion_unweighted = nn_module.BCEWithLogitsLoss() | |
| return criterion, criterion_unweighted, raw_pos_weight, effective_pos_weight, strategy | |
| def build_neural_scheduler(optimizer, args, task: str): | |
| scheduler_type = args.lr_scheduler_type | |
| if args.use_lr_scheduler and scheduler_type == "none": | |
| scheduler_type = "plateau" | |
| if scheduler_type == "none": | |
| return None, "none" | |
| if scheduler_type == "plateau": | |
| mode = "max" if task == "ia_failure" else "min" | |
| return torch_scheduler_reduce_on_plateau(optimizer, mode=mode), "plateau" | |
| if scheduler_type == "cosine": | |
| import math | |
| import torch | |
| total_epochs = max(1, int(args.max_epochs)) | |
| warmup_epochs = max(0, int(args.warmup_epochs)) | |
| min_lr_ratio = max(0.0, min(1.0, float(args.min_lr_ratio))) | |
| def lr_lambda(epoch_idx: int): | |
| epoch_num = epoch_idx + 1 | |
| if warmup_epochs > 0 and epoch_num <= warmup_epochs: | |
| return max(min_lr_ratio, epoch_num / warmup_epochs) | |
| decay_steps = max(1, total_epochs - warmup_epochs) | |
| progress = min(1.0, max(0.0, (epoch_num - warmup_epochs) / decay_steps)) | |
| cosine = 0.5 * (1.0 + math.cos(math.pi * progress)) | |
| return min_lr_ratio + (1.0 - min_lr_ratio) * cosine | |
| return torch.optim.lr_scheduler.LambdaLR(optimizer, lr_lambda=lr_lambda), "cosine" | |
| raise ValueError(f"Unsupported lr_scheduler_type={args.lr_scheduler_type}") | |
| def torch_scheduler_reduce_on_plateau(optimizer, mode: str): | |
| import torch | |
| return torch.optim.lr_scheduler.ReduceLROnPlateau(optimizer, mode=mode, factor=0.5, patience=5) | |
| def step_neural_scheduler(scheduler, scheduler_type: str, monitor: float | None = None) -> None: | |
| if scheduler is None: | |
| return | |
| if scheduler_type == "plateau": | |
| scheduler.step(monitor) | |
| else: | |
| scheduler.step() | |
| def save_common_artifacts(out_dir: Path, cache: Path) -> None: | |
| for name in ["feature_names.json", "channel_names.json", "relative_days.json", "temporal_feature_names.json", "static_feature_names.json"]: | |
| src = cache / name | |
| if src.exists(): | |
| shutil.copy2(src, out_dir / name) | |
| def _plot_lines( | |
| history_df: pd.DataFrame, | |
| output_path: Path, | |
| title: str, | |
| y_label: str, | |
| columns: list[tuple[str, str]], | |
| best_epoch: int | None = None, | |
| ) -> None: | |
| present = [(col, label) for col, label in columns if col in history_df.columns] | |
| if not present or history_df.empty: | |
| return | |
| epoch = history_df["epoch"] if "epoch" in history_df.columns else np.arange(1, len(history_df) + 1) | |
| plt.figure(figsize=(8, 5)) | |
| for col, label in present: | |
| plt.plot(epoch, history_df[col], marker="o", linewidth=1.8, markersize=3, label=label) | |
| if best_epoch is not None and best_epoch > 0: | |
| plt.axvline(best_epoch, color="black", linestyle="--", linewidth=1.2, alpha=0.7, label=f"best epoch {best_epoch}") | |
| plt.title(title) | |
| plt.xlabel("epoch") | |
| plt.ylabel(y_label) | |
| plt.grid(True, alpha=0.25) | |
| plt.legend() | |
| plt.tight_layout() | |
| plt.savefig(output_path, dpi=160) | |
| plt.close() | |
| def plot_training_curves(history_df: pd.DataFrame, output_dir: Path, task: str, best_epoch: int | None = None) -> None: | |
| """Save training-curve PNGs when metric columns are available.""" | |
| if history_df is None or history_df.empty: | |
| return | |
| output_dir = Path(output_dir) | |
| weighted_loss = False | |
| if task == "ia_failure": | |
| if "pos_weight_effective" in history_df.columns: | |
| weights = pd.to_numeric(history_df["pos_weight_effective"], errors="coerce").dropna() | |
| weighted_loss = bool(len(weights) and np.any(np.abs(weights.to_numpy(dtype=float) - 1.0) > 1e-9)) | |
| else: | |
| weighted_loss = "val_bce_unweighted" in history_df.columns or "train_bce_unweighted" in history_df.columns | |
| loss_columns = [ | |
| ("train_loss", "train_loss (weighted objective)" if weighted_loss else "train_loss"), | |
| ("val_loss", "val_loss (weighted objective)" if weighted_loss else "val_loss"), | |
| ] | |
| _plot_lines( | |
| history_df, | |
| output_dir / "loss_curve.png", | |
| "Training and Validation Loss", | |
| "loss", | |
| loss_columns, | |
| best_epoch=best_epoch, | |
| ) | |
| _plot_lines( | |
| history_df, | |
| output_dir / "bce_unweighted_curve.png", | |
| "Unweighted BCE / NLL", | |
| "BCE", | |
| [("train_bce_unweighted", "train_BCE_unweighted"), ("val_bce_unweighted", "val_BCE_unweighted")], | |
| best_epoch=best_epoch, | |
| ) | |
| if task == "ia_failure": | |
| _plot_lines( | |
| history_df, | |
| output_dir / "val_auprc_curve.png", | |
| "Validation AUPRC", | |
| "AUPRC", | |
| [("val_auprc", "val_AUPRC")], | |
| best_epoch=best_epoch, | |
| ) | |
| _plot_lines( | |
| history_df, | |
| output_dir / "val_auroc_curve.png", | |
| "Validation AUROC", | |
| "AUROC", | |
| [("val_auroc", "val_AUROC")], | |
| best_epoch=best_epoch, | |
| ) | |
| _plot_lines( | |
| history_df, | |
| output_dir / "metric_curve.png", | |
| "Validation Metrics", | |
| "metric value", | |
| [("val_auprc", "val_AUPRC"), ("val_auroc", "val_AUROC"), ("val_f1", "val_F1")], | |
| best_epoch=best_epoch, | |
| ) | |
| elif task == "containment_time": | |
| _plot_lines( | |
| history_df, | |
| output_dir / "val_mae_curve.png", | |
| "Validation MAE", | |
| "MAE hours", | |
| [("val_mae_hours", "val_MAE_hours")], | |
| best_epoch=best_epoch, | |
| ) | |
| _plot_lines( | |
| history_df, | |
| output_dir / "val_rmse_curve.png", | |
| "Validation RMSE", | |
| "RMSE hours", | |
| [("val_rmse_hours", "val_RMSE_hours")], | |
| best_epoch=best_epoch, | |
| ) | |
| _plot_lines( | |
| history_df, | |
| output_dir / "metric_curve.png", | |
| "Validation Metrics", | |
| "metric value", | |
| [ | |
| ("val_mae_hours", "val_MAE_hours"), | |
| ("val_rmse_hours", "val_RMSE_hours"), | |
| ("val_log_mae", "val_log_MAE"), | |
| ("val_log_rmse", "val_log_RMSE"), | |
| ], | |
| best_epoch=best_epoch, | |
| ) | |
| def train_logistic_or_ridge(args, data: dict[str, Any], out_dir: Path, cache: Path, device: dict[str, Any]) -> None: | |
| start = time.time() | |
| effective_name = output_model_name(args.task, "logistic_regression") | |
| X_train, y_train = data["train"]["X"], data["train"]["y"] | |
| X_val, y_val = data["val"]["X"], data["val"]["y"] | |
| X_test, y_test = data["test"]["X"], data["test"]["y"] | |
| if args.task == "ia_failure": | |
| try: | |
| model = LogisticRegression( | |
| class_weight="balanced", | |
| max_iter=5000, | |
| solver="lbfgs", | |
| C=1.0, | |
| random_state=args.seed, | |
| n_jobs=-1, | |
| verbose=0, | |
| ) | |
| model.fit(X_train, y_train) | |
| except Exception as exc: | |
| print(f"Warning: LogisticRegression solver='lbfgs' failed ({exc}); retrying solver='saga'.") | |
| model = LogisticRegression( | |
| class_weight="balanced", | |
| max_iter=5000, | |
| solver="saga", | |
| C=1.0, | |
| random_state=args.seed, | |
| n_jobs=-1, | |
| ) | |
| model.fit(X_train, y_train) | |
| val_score = model.predict_proba(X_val)[:, 1] | |
| test_score = model.predict_proba(X_test)[:, 1] | |
| threshold, _ = best_f1_threshold(y_val, val_score) | |
| val_metrics = classification_metrics(y_val, val_score, threshold) | |
| test_metrics = classification_metrics(y_test, test_score, threshold) | |
| history = pd.DataFrame([{f"val_{k}": v for k, v in val_metrics.items()} | {"threshold": threshold}]) | |
| pred_val = classification_predictions(data["val"]["index"], y_val, val_score, threshold, effective_name, args.seed) | |
| pred_test = classification_predictions(data["test"]["index"], y_test, test_score, threshold, effective_name, args.seed) | |
| imbalance = { | |
| "class_imbalance_strategy": 'LogisticRegression class_weight="balanced"', | |
| "pos_weight_or_scale_pos_weight": float(np.sum(y_train == 0) / max(1, np.sum(y_train == 1))), | |
| "best_threshold_from_val": threshold, | |
| } | |
| imbalance.update(score_logit_diagnostics(val_score, "val")) | |
| imbalance.update(score_logit_diagnostics(test_score, "test")) | |
| else: | |
| model = Ridge(alpha=1.0, random_state=args.seed) | |
| model.fit(X_train, y_train) | |
| val_pred = model.predict(X_val) | |
| test_pred = model.predict(X_test) | |
| val_metrics = regression_metrics(y_val, val_pred, data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val))).to_numpy(dtype=float)) | |
| test_metrics = regression_metrics(y_test, test_pred, data["test"]["index"].get("containment_hours", pd.Series(np.expm1(y_test))).to_numpy(dtype=float)) | |
| history = pd.DataFrame([{f"val_{k}": v for k, v in val_metrics.items()}]) | |
| pred_val = regression_predictions(data["val"]["index"], y_val, val_pred, effective_name, args.seed) | |
| pred_test = regression_predictions(data["test"]["index"], y_test, test_pred, effective_name, args.seed) | |
| imbalance = {"class_imbalance_strategy": None, "pos_weight_or_scale_pos_weight": None} | |
| with (out_dir / "model.pkl").open("wb") as file: | |
| pickle.dump(model, file) | |
| history.to_csv(out_dir / "history.csv", index=False) | |
| pred_val.to_parquet(out_dir / "predictions_val.parquet", index=False) | |
| pred_test.to_parquet(out_dir / "predictions_test.parquet", index=False) | |
| runtime = time.time() - start | |
| metrics = base_metrics_payload(args, effective_name, cache, out_dir, data, runtime, device) | |
| metrics.update(imbalance) | |
| metrics.update({f"val_{k}": v for k, v in val_metrics.items()}) | |
| metrics.update({f"test_{k}": v for k, v in test_metrics.items()}) | |
| write_json(out_dir / "metrics.json", metrics) | |
| def xgb_predict_scores(model: Any, X: np.ndarray, task: str) -> np.ndarray: | |
| if task == "ia_failure": | |
| return model.predict_proba(X)[:, 1] | |
| return model.predict(X) | |
| def build_xgboost_model(args, device: dict[str, Any], use_cuda: bool, scale_pos_weight: float | None): | |
| from xgboost import XGBClassifier, XGBRegressor | |
| common = { | |
| "n_estimators": 1000, | |
| "learning_rate": 0.03, | |
| "max_depth": 4, | |
| "subsample": 0.8, | |
| "colsample_bytree": 0.8, | |
| "tree_method": "hist", | |
| "device": "cuda" if use_cuda else "cpu", | |
| "random_state": args.seed, | |
| "n_jobs": -1, | |
| } | |
| if args.task == "ia_failure": | |
| kwargs = {**common, "eval_metric": "aucpr"} | |
| if scale_pos_weight is not None: | |
| kwargs["scale_pos_weight"] = scale_pos_weight | |
| return XGBClassifier(**kwargs) | |
| return XGBRegressor( | |
| **common, | |
| objective="reg:squarederror", | |
| eval_metric="rmse", | |
| ) | |
| def fit_xgboost_with_fallback(model, X_train, y_train, X_val, y_val): | |
| try: | |
| model.fit(X_train, y_train, eval_set=[(X_val, y_val)], verbose=False, early_stopping_rounds=50) | |
| return model, "early_stopping_rounds=50" | |
| except TypeError as exc: | |
| print(f"Warning: XGBoost early stopping API not supported ({exc}); retrying without early stopping.") | |
| model.fit(X_train, y_train, eval_set=[(X_val, y_val)], verbose=False) | |
| return model, "no_early_stopping_api" | |
| def train_xgboost(args, data: dict[str, Any], out_dir: Path, cache: Path, device: dict[str, Any]) -> None: | |
| start = time.time() | |
| try: | |
| import xgboost # noqa: F401 | |
| except ImportError as exc: | |
| raise ImportError("xgboost is required for --model xgboost.") from exc | |
| X_train, y_train = data["train"]["X"], data["train"]["y"] | |
| X_val, y_val = data["val"]["X"], data["val"]["y"] | |
| X_test, y_test = data["test"]["X"], data["test"]["y"] | |
| scale_pos_weight = None | |
| raw_scale_pos_weight = None | |
| imbalance_strategy = None | |
| if args.task == "ia_failure": | |
| raw_scale_pos_weight, scale_pos_weight, imbalance_strategy = ia_pos_weight_settings(args, y_train) | |
| use_cuda = str(device.get("device", "cpu")).startswith("cuda") | |
| model = build_xgboost_model(args, device, use_cuda=use_cuda, scale_pos_weight=scale_pos_weight) | |
| fit_note = "" | |
| try: | |
| model, fit_note = fit_xgboost_with_fallback(model, X_train, y_train, X_val, y_val) | |
| except Exception as exc: | |
| if use_cuda: | |
| print(f"Warning: XGBoost CUDA fit failed ({exc}); retrying on CPU.") | |
| model = build_xgboost_model(args, device, use_cuda=False, scale_pos_weight=scale_pos_weight) | |
| model, fit_note = fit_xgboost_with_fallback(model, X_train, y_train, X_val, y_val) | |
| else: | |
| raise | |
| if args.task == "ia_failure": | |
| val_score = xgb_predict_scores(model, X_val, args.task) | |
| test_score = xgb_predict_scores(model, X_test, args.task) | |
| threshold, _ = best_f1_threshold(y_val, val_score) | |
| val_metrics = classification_metrics(y_val, val_score, threshold) | |
| test_metrics = classification_metrics(y_test, test_score, threshold) | |
| pred_val = classification_predictions(data["val"]["index"], y_val, val_score, threshold, "xgboost", args.seed) | |
| pred_test = classification_predictions(data["test"]["index"], y_test, test_score, threshold, "xgboost", args.seed) | |
| extra = { | |
| "class_imbalance_strategy": "XGBClassifier scale_pos_weight" if scale_pos_weight is not None else "XGBClassifier unweighted", | |
| "raw_pos_weight_or_scale_pos_weight": raw_scale_pos_weight, | |
| "pos_weight_or_scale_pos_weight": scale_pos_weight, | |
| "disable_pos_weight": bool(args.disable_pos_weight), | |
| "pos_weight_scale": float(args.pos_weight_scale), | |
| "best_threshold_from_val": threshold, | |
| } | |
| extra.update(score_logit_diagnostics(val_score, "val")) | |
| extra.update(score_logit_diagnostics(test_score, "test")) | |
| else: | |
| val_pred = xgb_predict_scores(model, X_val, args.task) | |
| test_pred = xgb_predict_scores(model, X_test, args.task) | |
| val_metrics = regression_metrics(y_val, val_pred, data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val))).to_numpy(dtype=float)) | |
| test_metrics = regression_metrics(y_test, test_pred, data["test"]["index"].get("containment_hours", pd.Series(np.expm1(y_test))).to_numpy(dtype=float)) | |
| pred_val = regression_predictions(data["val"]["index"], y_val, val_pred, "xgboost", args.seed) | |
| pred_test = regression_predictions(data["test"]["index"], y_test, test_pred, "xgboost", args.seed) | |
| extra = {"class_imbalance_strategy": None, "pos_weight_or_scale_pos_weight": None} | |
| history = pd.DataFrame([{f"val_{k}": v for k, v in val_metrics.items()} | {"fit_note": fit_note}]) | |
| with (out_dir / "model.pkl").open("wb") as file: | |
| pickle.dump(model, file) | |
| history.to_csv(out_dir / "history.csv", index=False) | |
| pred_val.to_parquet(out_dir / "predictions_val.parquet", index=False) | |
| pred_test.to_parquet(out_dir / "predictions_test.parquet", index=False) | |
| runtime = time.time() - start | |
| metrics = base_metrics_payload(args, "xgboost", cache, out_dir, data, runtime, device) | |
| metrics.update(extra) | |
| metrics.update({f"val_{k}": v for k, v in val_metrics.items()}) | |
| metrics.update({f"test_{k}": v for k, v in test_metrics.items()}) | |
| metrics["xgboost_fit_note"] = fit_note | |
| write_json(out_dir / "metrics.json", metrics) | |
| def train_mlp(args, data: dict[str, Any], out_dir: Path, cache: Path, device: dict[str, Any]) -> None: | |
| try: | |
| import torch | |
| import torch.nn as nn | |
| from torch.utils.data import DataLoader, TensorDataset, WeightedRandomSampler | |
| except ImportError as exc: | |
| raise ImportError("PyTorch is required for --model mlp.") from exc | |
| start = time.time() | |
| torch_device = torch.device(device["device"] if str(device.get("device", "cpu")).startswith("cuda") else "cpu") | |
| X_train = torch.tensor(data["train"]["X"], dtype=torch.float32) | |
| y_train = torch.tensor(data["train"]["y"], dtype=torch.float32) | |
| X_val = torch.tensor(data["val"]["X"], dtype=torch.float32) | |
| y_val_np = data["val"]["y"].astype(np.float32) | |
| X_test = torch.tensor(data["test"]["X"], dtype=torch.float32) | |
| y_test_np = data["test"]["y"].astype(np.float32) | |
| class TabularMLP(nn.Module): | |
| def __init__(self, input_dim: int): | |
| super().__init__() | |
| self.net = nn.Sequential( | |
| nn.Linear(input_dim, 512), | |
| nn.BatchNorm1d(512), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(512, 256), | |
| nn.BatchNorm1d(256), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(256, 64), | |
| nn.ReLU(), | |
| nn.Linear(64, 1), | |
| ) | |
| def forward(self, x): | |
| return self.net(x).squeeze(-1) | |
| model = TabularMLP(X_train.shape[1]).to(torch_device) | |
| optimizer = torch.optim.AdamW(model.parameters(), lr=args.lr, weight_decay=args.weight_decay) | |
| if args.task == "ia_failure": | |
| criterion, criterion_unweighted, raw_pos_weight, pos_weight, imbalance_strategy = bce_with_optional_pos_weight( | |
| nn, args, data["train"]["y"], torch_device | |
| ) | |
| maximize = True | |
| best_metric_name = "val_auprc" | |
| else: | |
| raw_pos_weight = None | |
| pos_weight = None | |
| imbalance_strategy = None | |
| criterion = nn.HuberLoss() | |
| criterion_unweighted = None | |
| maximize = False | |
| best_metric_name = "val_mae_hours" | |
| scheduler, scheduler_type = build_neural_scheduler(optimizer, args, args.task) | |
| batch_size = args.batch_size or 512 | |
| sampler = None | |
| shuffle = True | |
| if args.task == "ia_failure" and args.sampling_strategy == "weighted": | |
| y_np = data["train"]["y"].astype(int) | |
| class_counts = np.bincount(y_np, minlength=2).astype(float) | |
| weights = 1.0 / np.maximum(class_counts[y_np], 1.0) | |
| sampler = WeightedRandomSampler(torch.tensor(weights, dtype=torch.double), num_samples=len(weights), replacement=True) | |
| shuffle = False | |
| loader = DataLoader(TensorDataset(X_train, y_train), batch_size=batch_size, shuffle=shuffle, sampler=sampler, num_workers=0) | |
| history = [] | |
| best_value = -float("inf") if maximize else float("inf") | |
| best_epoch = -1 | |
| patience = 0 | |
| def predict_numpy(X_tensor: Any) -> np.ndarray: | |
| model.eval() | |
| outputs = [] | |
| with torch.no_grad(): | |
| for start_idx in range(0, len(X_tensor), batch_size * 4): | |
| batch = X_tensor[start_idx : start_idx + batch_size * 4].to(torch_device) | |
| outputs.append(model(batch).detach().cpu().numpy()) | |
| return np.concatenate(outputs) | |
| for epoch in range(1, args.max_epochs + 1): | |
| model.train() | |
| total_loss = 0.0 | |
| total_unweighted_bce = 0.0 | |
| total_n = 0 | |
| train_logits_epoch = [] | |
| train_y_epoch = [] | |
| optimizer.zero_grad(set_to_none=True) | |
| num_batches = len(loader) | |
| for batch_idx, (xb, yb) in enumerate(loader, start=1): | |
| xb = xb.to(torch_device) | |
| yb = yb.to(torch_device) | |
| pred = model(xb) | |
| loss = criterion(pred, yb) | |
| if criterion_unweighted is not None: | |
| unweighted_loss = criterion_unweighted(pred, yb) | |
| total_unweighted_bce += float(unweighted_loss.detach().cpu()) * len(xb) | |
| train_logits_epoch.append(pred.detach().cpu().numpy()) | |
| train_y_epoch.append(yb.detach().cpu().numpy()) | |
| (loss / max(1, args.grad_accum_steps)).backward() | |
| if batch_idx % args.grad_accum_steps == 0 or batch_idx == num_batches: | |
| if args.gradient_clip and args.gradient_clip > 0: | |
| torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_clip) | |
| optimizer.step() | |
| optimizer.zero_grad(set_to_none=True) | |
| total_loss += float(loss.detach().cpu()) * len(xb) | |
| total_n += len(xb) | |
| train_loss = total_loss / max(1, total_n) | |
| train_bce_unweighted = total_unweighted_bce / max(1, total_n) if criterion_unweighted is not None else None | |
| val_raw = predict_numpy(X_val) | |
| with torch.no_grad(): | |
| val_loss = float(criterion(torch.tensor(val_raw, dtype=torch.float32, device=torch_device), torch.tensor(y_val_np, dtype=torch.float32, device=torch_device)).detach().cpu()) | |
| val_bce_unweighted = None | |
| if criterion_unweighted is not None: | |
| val_bce_unweighted = float( | |
| criterion_unweighted( | |
| torch.tensor(val_raw, dtype=torch.float32, device=torch_device), | |
| torch.tensor(y_val_np, dtype=torch.float32, device=torch_device), | |
| ).detach().cpu() | |
| ) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| metrics = classification_metrics(y_val_np, val_score, threshold) | |
| train_score = sigmoid(np.concatenate(train_logits_epoch)) if train_logits_epoch else np.array([]) | |
| train_y_diag = np.concatenate(train_y_epoch) if train_y_epoch else np.array([]) | |
| train_metrics = train_epoch_metrics(train_y_diag, train_score) if len(train_score) else {} | |
| monitor = metrics["auprc"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_auprc": metrics["auprc"], | |
| "val_auroc": metrics["auroc"], | |
| "val_f1": metrics["f1"], | |
| "val_precision": metrics["precision"], | |
| "val_recall": metrics["recall"], | |
| "val_balanced_accuracy": metrics["balanced_accuracy"], | |
| "val_brier": metrics["brier"], | |
| "val_bce": metrics["bce"], | |
| "val_ece": metrics["ece"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| "train_bce_unweighted": train_bce_unweighted, | |
| "val_bce_unweighted": val_bce_unweighted, | |
| "pos_weight_raw": raw_pos_weight, | |
| "pos_weight_effective": pos_weight, | |
| } | |
| row.update(train_metrics) | |
| else: | |
| hours_true = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| metrics = regression_metrics(y_val_np, val_raw, hours_true) | |
| monitor = metrics["mae_hours"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_mae_hours": metrics["mae_hours"], | |
| "val_rmse_hours": metrics["rmse_hours"], | |
| "val_median_ae_hours": metrics["median_ae_hours"], | |
| "val_log_mae": metrics["log_mae"], | |
| "val_log_rmse": metrics["log_rmse"], | |
| "val_r2": metrics["r2"], | |
| "val_spearman": metrics["spearman"], | |
| "val_pearson": metrics["pearson"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| } | |
| if scheduler is not None: | |
| step_neural_scheduler(scheduler, scheduler_type, monitor) | |
| row["lr"] = optimizer.param_groups[0]["lr"] | |
| history.append(row) | |
| improved = monitor > best_value if maximize else monitor < best_value | |
| if improved: | |
| best_value = monitor | |
| best_epoch = epoch | |
| patience = 0 | |
| torch.save({"epoch": epoch, "model_state_dict": model.state_dict(), "metric": best_value}, out_dir / "best_checkpoint.pt") | |
| else: | |
| patience += 1 | |
| torch.save({"epoch": epoch, "model_state_dict": model.state_dict(), "metric": monitor}, out_dir / "last_checkpoint.pt") | |
| if patience >= args.early_stop_patience: | |
| print(f"Early stopping at epoch {epoch}; best_epoch={best_epoch}, {best_metric_name}={best_value:.6f}") | |
| break | |
| checkpoint = torch.load(out_dir / "best_checkpoint.pt", map_location=torch_device) | |
| model.load_state_dict(checkpoint["model_state_dict"]) | |
| val_raw = predict_numpy(X_val) | |
| test_raw = predict_numpy(X_test) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| test_score = sigmoid(test_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| val_metrics = classification_metrics(y_val_np, val_score, threshold) | |
| test_metrics = classification_metrics(y_test_np, test_score, threshold) | |
| pred_val = classification_predictions(data["val"]["index"], y_val_np, val_score, threshold, "mlp", args.seed) | |
| pred_test = classification_predictions(data["test"]["index"], y_test_np, test_score, threshold, "mlp", args.seed) | |
| if args.save_train_predictions: | |
| train_raw = predict_numpy(X_train) | |
| train_score = sigmoid(train_raw) | |
| classification_predictions(data["train"]["index"], data["train"]["y"].astype(np.float32), train_score, threshold, "mlp", args.seed).to_parquet( | |
| out_dir / "predictions_train.parquet", index=False | |
| ) | |
| extra = { | |
| "class_imbalance_strategy": imbalance_strategy, | |
| "raw_pos_weight_or_scale_pos_weight": raw_pos_weight, | |
| "pos_weight_or_scale_pos_weight": pos_weight, | |
| "disable_pos_weight": bool(args.disable_pos_weight), | |
| "pos_weight_scale": float(args.pos_weight_scale), | |
| "loss_type": args.loss_type, | |
| "label_smoothing": float(args.label_smoothing), | |
| "focal_gamma": float(args.focal_gamma), | |
| "lr_scheduler_type": scheduler_type, | |
| "best_threshold_from_val": threshold, | |
| } | |
| extra.update(score_logit_diagnostics(val_score, "val")) | |
| extra.update(score_logit_diagnostics(test_score, "test")) | |
| else: | |
| val_hours = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| test_hours = data["test"]["index"].get("containment_hours", pd.Series(np.expm1(y_test_np))).to_numpy(dtype=float) | |
| val_metrics = regression_metrics(y_val_np, val_raw, val_hours) | |
| test_metrics = regression_metrics(y_test_np, test_raw, test_hours) | |
| pred_val = regression_predictions(data["val"]["index"], y_val_np, val_raw, "mlp", args.seed) | |
| pred_test = regression_predictions(data["test"]["index"], y_test_np, test_raw, "mlp", args.seed) | |
| extra = {"class_imbalance_strategy": None, "pos_weight_or_scale_pos_weight": None} | |
| history_df = pd.DataFrame(history) | |
| history_df.to_csv(out_dir / "history.csv", index=False) | |
| plot_training_curves(history_df, out_dir, args.task, best_epoch=best_epoch) | |
| pred_val.to_parquet(out_dir / "predictions_val.parquet", index=False) | |
| pred_test.to_parquet(out_dir / "predictions_test.parquet", index=False) | |
| runtime = time.time() - start | |
| metrics_payload = base_metrics_payload(args, "mlp", cache, out_dir, data, runtime, device) | |
| metrics_payload.update(extra) | |
| metrics_payload.update({f"val_{k}": v for k, v in val_metrics.items()}) | |
| metrics_payload.update({f"test_{k}": v for k, v in test_metrics.items()}) | |
| metrics_payload["best_epoch"] = int(best_epoch) | |
| write_json(out_dir / "metrics.json", metrics_payload) | |
| def train_temporal_neural(args, data: dict[str, Any], out_dir: Path, cache: Path, device: dict[str, Any], model_name: str) -> None: | |
| try: | |
| import torch | |
| import torch.nn as nn | |
| from torch.utils.data import DataLoader, TensorDataset, WeightedRandomSampler | |
| except ImportError as exc: | |
| raise ImportError("PyTorch is required for temporal neural models.") from exc | |
| start = time.time() | |
| torch_device = torch.device(device["device"] if str(device.get("device", "cpu")).startswith("cuda") else "cpu") | |
| X_seq_train = torch.tensor(data["train"]["X"]["seq"], dtype=torch.float32) | |
| X_static_train = torch.tensor(data["train"]["X"]["static"], dtype=torch.float32) | |
| y_train = torch.tensor(data["train"]["y"], dtype=torch.float32) | |
| X_seq_val = torch.tensor(data["val"]["X"]["seq"], dtype=torch.float32) | |
| X_static_val = torch.tensor(data["val"]["X"]["static"], dtype=torch.float32) | |
| y_val_np = data["val"]["y"].astype(np.float32) | |
| X_seq_test = torch.tensor(data["test"]["X"]["seq"], dtype=torch.float32) | |
| X_static_test = torch.tensor(data["test"]["X"]["static"], dtype=torch.float32) | |
| y_test_np = data["test"]["y"].astype(np.float32) | |
| seq_dim = X_seq_train.shape[-1] | |
| static_dim = X_static_train.shape[-1] | |
| class StaticEncoder(nn.Module): | |
| def __init__(self, input_dim: int, hidden_dim: int, output_dim: int): | |
| super().__init__() | |
| self.output_dim = output_dim | |
| self.net = nn.Sequential( | |
| nn.Linear(input_dim, hidden_dim), | |
| nn.BatchNorm1d(hidden_dim), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(hidden_dim, output_dim), | |
| nn.ReLU(), | |
| ) | |
| def forward(self, x): | |
| if x.shape[1] == 0: | |
| return torch.zeros((x.shape[0], self.output_dim), dtype=x.dtype, device=x.device) | |
| return self.net(x) | |
| class GRUClassifier(nn.Module): | |
| def __init__(self, seq_dim: int, static_dim: int): | |
| super().__init__() | |
| hidden = 128 | |
| self.gru = nn.GRU(seq_dim, hidden, num_layers=2, batch_first=True, dropout=0.1) | |
| self.static_encoder = StaticEncoder(static_dim, args.static_hidden, args.static_out) | |
| self.head = nn.Sequential( | |
| nn.Linear(hidden + args.static_out, args.fusion_hidden), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x_seq, x_static): | |
| _, h = self.gru(x_seq) | |
| seq_emb = h[-1] | |
| static_emb = self.static_encoder(x_static) | |
| return self.head(torch.cat([seq_emb, static_emb], dim=1)).squeeze(-1) | |
| class TemporalBlock(nn.Module): | |
| def __init__(self, in_channels: int, out_channels: int, dilation: int, dropout: float): | |
| super().__init__() | |
| padding = dilation | |
| self.net = nn.Sequential( | |
| nn.Conv1d(in_channels, out_channels, kernel_size=3, padding=padding, dilation=dilation), | |
| nn.BatchNorm1d(out_channels), | |
| nn.ReLU(), | |
| nn.Dropout(dropout), | |
| nn.Conv1d(out_channels, out_channels, kernel_size=3, padding=padding, dilation=dilation), | |
| nn.BatchNorm1d(out_channels), | |
| nn.ReLU(), | |
| nn.Dropout(dropout), | |
| ) | |
| self.proj = nn.Conv1d(in_channels, out_channels, kernel_size=1) if in_channels != out_channels else nn.Identity() | |
| def forward(self, x): | |
| out = self.net(x) | |
| if out.shape[-1] != x.shape[-1]: | |
| out = out[..., : x.shape[-1]] | |
| return out + self.proj(x) | |
| class TCNClassifier(nn.Module): | |
| def __init__(self, seq_dim: int, static_dim: int): | |
| super().__init__() | |
| hidden = 128 | |
| self.tcn = nn.Sequential( | |
| TemporalBlock(seq_dim, hidden, dilation=1, dropout=args.dropout), | |
| TemporalBlock(hidden, hidden, dilation=2, dropout=args.dropout), | |
| TemporalBlock(hidden, hidden, dilation=4, dropout=args.dropout), | |
| ) | |
| self.static_encoder = StaticEncoder(static_dim, args.static_hidden, args.static_out) | |
| self.head = nn.Sequential( | |
| nn.Linear(hidden + args.static_out, args.fusion_hidden), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x_seq, x_static): | |
| seq_emb = self.tcn(x_seq.transpose(1, 2)).mean(dim=-1) | |
| static_emb = self.static_encoder(x_static) | |
| return self.head(torch.cat([seq_emb, static_emb], dim=1)).squeeze(-1) | |
| class PositionalEncoding(nn.Module): | |
| def __init__(self, d_model: int, max_len: int = 64): | |
| super().__init__() | |
| position = torch.arange(max_len).unsqueeze(1) | |
| div_term = torch.exp(torch.arange(0, d_model, 2) * (-math.log(10000.0) / d_model)) | |
| pe = torch.zeros(max_len, d_model) | |
| pe[:, 0::2] = torch.sin(position * div_term) | |
| pe[:, 1::2] = torch.cos(position * div_term) | |
| self.register_buffer("pe", pe.unsqueeze(0)) | |
| def forward(self, x): | |
| return x + self.pe[:, : x.size(1)] | |
| class TransformerClassifier(nn.Module): | |
| def __init__(self, seq_dim: int, static_dim: int): | |
| super().__init__() | |
| d_model = 128 | |
| self.input_proj = nn.Linear(seq_dim, d_model) | |
| self.pos = PositionalEncoding(d_model) | |
| layer = nn.TransformerEncoderLayer( | |
| d_model=d_model, | |
| nhead=4, | |
| dim_feedforward=256, | |
| dropout=0.1, | |
| batch_first=True, | |
| activation="gelu", | |
| ) | |
| self.encoder = nn.TransformerEncoder(layer, num_layers=2) | |
| self.static_encoder = StaticEncoder(static_dim, args.static_hidden, args.static_out) | |
| self.head = nn.Sequential( | |
| nn.Linear(d_model + args.static_out, args.fusion_hidden), | |
| nn.ReLU(), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x_seq, x_static): | |
| seq_tokens = self.pos(self.input_proj(x_seq)) | |
| seq_emb = self.encoder(seq_tokens).mean(dim=1) | |
| static_emb = self.static_encoder(x_static) | |
| return self.head(torch.cat([seq_emb, static_emb], dim=1)).squeeze(-1) | |
| if model_name == "gru": | |
| model = GRUClassifier(seq_dim, static_dim) | |
| elif model_name == "tcn": | |
| model = TCNClassifier(seq_dim, static_dim) | |
| elif model_name == "transformer": | |
| model = TransformerClassifier(seq_dim, static_dim) | |
| else: | |
| raise ValueError(model_name) | |
| model = model.to(torch_device) | |
| if args.task == "ia_failure": | |
| criterion, criterion_unweighted, raw_pos_weight, pos_weight, imbalance_strategy = bce_with_optional_pos_weight( | |
| nn, args, data["train"]["y"], torch_device | |
| ) | |
| maximize = True | |
| best_metric_name = "val_auprc" | |
| else: | |
| criterion = nn.HuberLoss() | |
| criterion_unweighted = None | |
| raw_pos_weight = None | |
| pos_weight = None | |
| imbalance_strategy = None | |
| maximize = False | |
| best_metric_name = "val_mae_hours" | |
| optimizer = torch.optim.AdamW(model.parameters(), lr=args.lr, weight_decay=args.weight_decay) | |
| scheduler, scheduler_type = build_neural_scheduler(optimizer, args, args.task) | |
| batch_size = args.batch_size or 256 | |
| sampler = None | |
| shuffle = True | |
| if args.task == "ia_failure" and args.sampling_strategy == "weighted": | |
| y_np = data["train"]["y"].astype(int) | |
| class_counts = np.bincount(y_np, minlength=2).astype(float) | |
| weights = 1.0 / np.maximum(class_counts[y_np], 1.0) | |
| sampler = WeightedRandomSampler(torch.tensor(weights, dtype=torch.double), num_samples=len(weights), replacement=True) | |
| shuffle = False | |
| loader = DataLoader( | |
| TensorDataset(X_seq_train, X_static_train, y_train), | |
| batch_size=batch_size, | |
| shuffle=shuffle, | |
| sampler=sampler, | |
| num_workers=0, | |
| ) | |
| history = [] | |
| best_value = -float("inf") if maximize else float("inf") | |
| best_epoch = -1 | |
| patience = 0 | |
| def predict_numpy(seq_tensor, static_tensor) -> np.ndarray: | |
| model.eval() | |
| outputs = [] | |
| with torch.no_grad(): | |
| for start_idx in range(0, len(seq_tensor), batch_size * 4): | |
| seq_batch = seq_tensor[start_idx : start_idx + batch_size * 4].to(torch_device) | |
| static_batch = static_tensor[start_idx : start_idx + batch_size * 4].to(torch_device) | |
| outputs.append(model(seq_batch, static_batch).detach().cpu().numpy()) | |
| return np.concatenate(outputs) | |
| for epoch in range(1, args.max_epochs + 1): | |
| model.train() | |
| total_loss = 0.0 | |
| total_unweighted_bce = 0.0 | |
| total_n = 0 | |
| train_logits_epoch = [] | |
| train_y_epoch = [] | |
| optimizer.zero_grad(set_to_none=True) | |
| num_batches = len(loader) | |
| for batch_idx, (xb_seq, xb_static, yb) in enumerate(loader, start=1): | |
| xb_seq = xb_seq.to(torch_device) | |
| xb_static = xb_static.to(torch_device) | |
| yb = yb.to(torch_device) | |
| pred = model(xb_seq, xb_static) | |
| loss = criterion(pred, yb) | |
| (loss / max(1, args.grad_accum_steps)).backward() | |
| if batch_idx % args.grad_accum_steps == 0 or batch_idx == num_batches: | |
| if args.gradient_clip and args.gradient_clip > 0: | |
| torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_clip) | |
| optimizer.step() | |
| optimizer.zero_grad(set_to_none=True) | |
| total_loss += float(loss.detach().cpu()) * len(yb) | |
| if criterion_unweighted is not None: | |
| unweighted_loss = criterion_unweighted(pred, yb) | |
| total_unweighted_bce += float(unweighted_loss.detach().cpu()) * len(yb) | |
| train_logits_epoch.append(pred.detach().cpu().numpy()) | |
| train_y_epoch.append(yb.detach().cpu().numpy()) | |
| total_n += len(yb) | |
| train_loss = total_loss / max(1, total_n) | |
| train_bce_unweighted = total_unweighted_bce / max(1, total_n) if criterion_unweighted is not None else None | |
| val_raw = predict_numpy(X_seq_val, X_static_val) | |
| with torch.no_grad(): | |
| val_loss = float( | |
| criterion( | |
| torch.tensor(val_raw, dtype=torch.float32, device=torch_device), | |
| torch.tensor(y_val_np, dtype=torch.float32, device=torch_device), | |
| ).detach().cpu() | |
| ) | |
| val_bce_unweighted = None | |
| if criterion_unweighted is not None: | |
| val_bce_unweighted = float( | |
| criterion_unweighted( | |
| torch.tensor(val_raw, dtype=torch.float32, device=torch_device), | |
| torch.tensor(y_val_np, dtype=torch.float32, device=torch_device), | |
| ).detach().cpu() | |
| ) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| metrics = classification_metrics(y_val_np, val_score, threshold) | |
| train_score = sigmoid(np.concatenate(train_logits_epoch)) if train_logits_epoch else np.array([]) | |
| train_y_diag = np.concatenate(train_y_epoch) if train_y_epoch else np.array([]) | |
| train_metrics = train_epoch_metrics(train_y_diag, train_score) if len(train_score) else {} | |
| monitor = metrics["auprc"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_auprc": metrics["auprc"], | |
| "val_auroc": metrics["auroc"], | |
| "val_f1": metrics["f1"], | |
| "val_precision": metrics["precision"], | |
| "val_recall": metrics["recall"], | |
| "val_balanced_accuracy": metrics["balanced_accuracy"], | |
| "val_brier": metrics["brier"], | |
| "val_bce": metrics["bce"], | |
| "val_ece": metrics["ece"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| "train_bce_unweighted": train_bce_unweighted, | |
| "val_bce_unweighted": val_bce_unweighted, | |
| "pos_weight_raw": raw_pos_weight, | |
| "pos_weight_effective": pos_weight, | |
| } | |
| row.update(train_metrics) | |
| else: | |
| hours_true = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| metrics = regression_metrics(y_val_np, val_raw, hours_true) | |
| monitor = metrics["mae_hours"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_mae_hours": metrics["mae_hours"], | |
| "val_rmse_hours": metrics["rmse_hours"], | |
| "val_median_ae_hours": metrics["median_ae_hours"], | |
| "val_log_mae": metrics["log_mae"], | |
| "val_log_rmse": metrics["log_rmse"], | |
| "val_r2": metrics["r2"], | |
| "val_spearman": metrics["spearman"], | |
| "val_pearson": metrics["pearson"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| } | |
| if scheduler is not None: | |
| step_neural_scheduler(scheduler, scheduler_type, monitor) | |
| row["lr"] = optimizer.param_groups[0]["lr"] | |
| history.append(row) | |
| improved = monitor > best_value if maximize else monitor < best_value | |
| if improved: | |
| best_value = monitor | |
| best_epoch = epoch | |
| patience = 0 | |
| torch.save( | |
| { | |
| "epoch": epoch, | |
| "model_name": model_name, | |
| "model_state_dict": model.state_dict(), | |
| "metric": best_value, | |
| "seq_dim": int(seq_dim), | |
| "static_dim": int(static_dim), | |
| }, | |
| out_dir / "best_checkpoint.pt", | |
| ) | |
| else: | |
| patience += 1 | |
| torch.save( | |
| { | |
| "epoch": epoch, | |
| "model_name": model_name, | |
| "model_state_dict": model.state_dict(), | |
| "metric": monitor, | |
| "seq_dim": int(seq_dim), | |
| "static_dim": int(static_dim), | |
| }, | |
| out_dir / "last_checkpoint.pt", | |
| ) | |
| if args.task == "ia_failure": | |
| print(f"{model_name} epoch {epoch}: train_loss={train_loss:.4f} val_auprc={metrics['auprc']:.4f} val_auroc={metrics['auroc']:.4f}", flush=True) | |
| else: | |
| print(f"{model_name} epoch {epoch}: train_loss={train_loss:.4f} val_mae_hours={metrics['mae_hours']:.4f} val_rmse_hours={metrics['rmse_hours']:.4f}", flush=True) | |
| if patience >= args.early_stop_patience: | |
| print(f"Early stopping at epoch {epoch}; best_epoch={best_epoch}, {best_metric_name}={best_value:.6f}") | |
| break | |
| checkpoint = torch.load(out_dir / "best_checkpoint.pt", map_location=torch_device) | |
| model.load_state_dict(checkpoint["model_state_dict"]) | |
| val_raw = predict_numpy(X_seq_val, X_static_val) | |
| test_raw = predict_numpy(X_seq_test, X_static_test) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| test_score = sigmoid(test_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| val_metrics = classification_metrics(y_val_np, val_score, threshold) | |
| test_metrics = classification_metrics(y_test_np, test_score, threshold) | |
| pred_val = classification_predictions(data["val"]["index"], y_val_np, val_score, threshold, model_name, args.seed) | |
| pred_test = classification_predictions(data["test"]["index"], y_test_np, test_score, threshold, model_name, args.seed) | |
| if args.save_train_predictions: | |
| train_raw = predict_numpy(X_seq_train, X_static_train) | |
| train_score = sigmoid(train_raw) | |
| classification_predictions(data["train"]["index"], data["train"]["y"].astype(np.float32), train_score, threshold, model_name, args.seed).to_parquet( | |
| out_dir / "predictions_train.parquet", index=False | |
| ) | |
| extra = { | |
| "class_imbalance_strategy": imbalance_strategy, | |
| "raw_pos_weight_or_scale_pos_weight": raw_pos_weight, | |
| "pos_weight_or_scale_pos_weight": pos_weight, | |
| "disable_pos_weight": bool(args.disable_pos_weight), | |
| "pos_weight_scale": float(args.pos_weight_scale), | |
| "loss_type": args.loss_type, | |
| "label_smoothing": float(args.label_smoothing), | |
| "focal_gamma": float(args.focal_gamma), | |
| "lr_scheduler_type": scheduler_type, | |
| "best_threshold_from_val": threshold, | |
| "best_epoch": int(best_epoch), | |
| "seq_dim": int(seq_dim), | |
| "static_dim": int(static_dim), | |
| } | |
| extra.update(score_logit_diagnostics(val_score, "val")) | |
| extra.update(score_logit_diagnostics(test_score, "test")) | |
| else: | |
| val_hours = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| test_hours = data["test"]["index"].get("containment_hours", pd.Series(np.expm1(y_test_np))).to_numpy(dtype=float) | |
| val_metrics = regression_metrics(y_val_np, val_raw, val_hours) | |
| test_metrics = regression_metrics(y_test_np, test_raw, test_hours) | |
| pred_val = regression_predictions(data["val"]["index"], y_val_np, val_raw, model_name, args.seed) | |
| pred_test = regression_predictions(data["test"]["index"], y_test_np, test_raw, model_name, args.seed) | |
| extra = { | |
| "class_imbalance_strategy": None, | |
| "pos_weight_or_scale_pos_weight": None, | |
| "lr_scheduler_type": scheduler_type, | |
| "best_epoch": int(best_epoch), | |
| "seq_dim": int(seq_dim), | |
| "static_dim": int(static_dim), | |
| } | |
| history_df = pd.DataFrame(history) | |
| history_df.to_csv(out_dir / "history.csv", index=False) | |
| plot_training_curves(history_df, out_dir, args.task, best_epoch=best_epoch) | |
| pred_val.to_parquet(out_dir / "predictions_val.parquet", index=False) | |
| pred_test.to_parquet(out_dir / "predictions_test.parquet", index=False) | |
| runtime = time.time() - start | |
| metrics_payload = base_metrics_payload(args, model_name, cache, out_dir, data, runtime, device) | |
| metrics_payload.update(extra) | |
| metrics_payload.update({f"val_{k}": v for k, v in val_metrics.items()}) | |
| metrics_payload.update({f"test_{k}": v for k, v in test_metrics.items()}) | |
| write_json(out_dir / "metrics.json", metrics_payload) | |
| def build_patch_model(model_name: str, input_shape: tuple[int, ...], args, torch_device): | |
| import torch | |
| import torch.nn as nn | |
| import torch.nn.functional as F | |
| class ConvNormAct(nn.Module): | |
| def __init__(self, in_ch: int, out_ch: int, kernel_size: int = 3, stride: int = 1): | |
| super().__init__() | |
| padding = kernel_size // 2 | |
| self.net = nn.Sequential( | |
| nn.Conv2d(in_ch, out_ch, kernel_size=kernel_size, stride=stride, padding=padding, bias=False), | |
| nn.BatchNorm2d(out_ch), | |
| nn.ReLU(inplace=True), | |
| ) | |
| def forward(self, x): | |
| return self.net(x) | |
| class ResidualBlock(nn.Module): | |
| def __init__(self, in_ch: int, out_ch: int, stride: int = 1): | |
| super().__init__() | |
| self.conv1 = ConvNormAct(in_ch, out_ch, stride=stride) | |
| self.conv2 = nn.Sequential( | |
| nn.Conv2d(out_ch, out_ch, kernel_size=3, padding=1, bias=False), | |
| nn.BatchNorm2d(out_ch), | |
| ) | |
| self.skip = ( | |
| nn.Sequential(nn.Conv2d(in_ch, out_ch, kernel_size=1, stride=stride, bias=False), nn.BatchNorm2d(out_ch)) | |
| if in_ch != out_ch or stride != 1 | |
| else nn.Identity() | |
| ) | |
| def forward(self, x): | |
| return F.relu(self.conv2(self.conv1(x)) + self.skip(x), inplace=True) | |
| class BottleneckBlock(nn.Module): | |
| def __init__(self, in_ch: int, out_ch: int, stride: int = 1): | |
| super().__init__() | |
| mid = max(out_ch // 4, 16) | |
| self.net = nn.Sequential( | |
| nn.Conv2d(in_ch, mid, kernel_size=1, bias=False), | |
| nn.BatchNorm2d(mid), | |
| nn.ReLU(inplace=True), | |
| nn.Conv2d(mid, mid, kernel_size=3, stride=stride, padding=1, bias=False), | |
| nn.BatchNorm2d(mid), | |
| nn.ReLU(inplace=True), | |
| nn.Conv2d(mid, out_ch, kernel_size=1, bias=False), | |
| nn.BatchNorm2d(out_ch), | |
| ) | |
| self.skip = ( | |
| nn.Sequential(nn.Conv2d(in_ch, out_ch, kernel_size=1, stride=stride, bias=False), nn.BatchNorm2d(out_ch)) | |
| if in_ch != out_ch or stride != 1 | |
| else nn.Identity() | |
| ) | |
| def forward(self, x): | |
| return F.relu(self.net(x) + self.skip(x), inplace=True) | |
| def make_layer(block, in_ch: int, out_ch: int, blocks: int, stride: int): | |
| layers = [block(in_ch, out_ch, stride=stride)] | |
| for _ in range(1, blocks): | |
| layers.append(block(out_ch, out_ch, stride=1)) | |
| return nn.Sequential(*layers) | |
| class ResNetUNetClassifier(nn.Module): | |
| def __init__(self, in_channels: int, variant: str): | |
| super().__init__() | |
| base = 32 | |
| if variant == "resnet18_unet": | |
| block, counts = ResidualBlock, [2, 2, 2, 2] | |
| else: | |
| block, counts = BottleneckBlock, [3, 4, 6, 3] | |
| self.stem = ConvNormAct(in_channels, base) | |
| self.enc1 = make_layer(block, base, base, counts[0], stride=1) | |
| self.enc2 = make_layer(block, base, base * 2, counts[1], stride=2) | |
| self.enc3 = make_layer(block, base * 2, base * 4, counts[2], stride=2) | |
| self.enc4 = make_layer(block, base * 4, base * 8, counts[3], stride=2) | |
| self.dec3 = ConvNormAct(base * 8 + base * 4, base * 4) | |
| self.dec2 = ConvNormAct(base * 4 + base * 2, base * 2) | |
| self.dec1 = ConvNormAct(base * 2 + base, base) | |
| self.head = nn.Sequential( | |
| nn.AdaptiveAvgPool2d(1), | |
| nn.Flatten(), | |
| nn.Linear(base, args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| s0 = self.stem(x) | |
| s1 = self.enc1(s0) | |
| s2 = self.enc2(s1) | |
| s3 = self.enc3(s2) | |
| z = self.enc4(s3) | |
| z = F.interpolate(z, size=s3.shape[-2:], mode="bilinear", align_corners=False) | |
| z = self.dec3(torch.cat([z, s3], dim=1)) | |
| z = F.interpolate(z, size=s2.shape[-2:], mode="bilinear", align_corners=False) | |
| z = self.dec2(torch.cat([z, s2], dim=1)) | |
| z = F.interpolate(z, size=s1.shape[-2:], mode="bilinear", align_corners=False) | |
| z = self.dec1(torch.cat([z, s1], dim=1)) | |
| return self.head(z).squeeze(-1) | |
| class WindowAttentionBlock(nn.Module): | |
| """Lightweight Swin-style local window attention for small wildfire patches.""" | |
| def __init__(self, dim: int, num_heads: int = 4, window_size: int = 7, dropout: float = 0.0): | |
| super().__init__() | |
| self.window_size = window_size | |
| self.norm1 = nn.LayerNorm(dim) | |
| self.attn = nn.MultiheadAttention(dim, num_heads=num_heads, dropout=dropout, batch_first=True) | |
| self.norm2 = nn.LayerNorm(dim) | |
| self.mlp = nn.Sequential( | |
| nn.Linear(dim, dim * 2), | |
| nn.GELU(), | |
| nn.Dropout(dropout), | |
| nn.Linear(dim * 2, dim), | |
| ) | |
| def forward(self, x): | |
| b, c, h, w = x.shape | |
| ws = self.window_size | |
| pad_h = (ws - h % ws) % ws | |
| pad_w = (ws - w % ws) % ws | |
| if pad_h or pad_w: | |
| x = F.pad(x, (0, pad_w, 0, pad_h)) | |
| hp, wp = x.shape[-2:] | |
| tokens = x.permute(0, 2, 3, 1).contiguous() | |
| windows = tokens.view(b, hp // ws, ws, wp // ws, ws, c).permute(0, 1, 3, 2, 4, 5).reshape(-1, ws * ws, c) | |
| attn_in = self.norm1(windows) | |
| attn_out, _ = self.attn(attn_in, attn_in, attn_in, need_weights=False) | |
| windows = windows + attn_out | |
| windows = windows + self.mlp(self.norm2(windows)) | |
| tokens = windows.view(b, hp // ws, wp // ws, ws, ws, c).permute(0, 1, 3, 2, 4, 5).reshape(b, hp, wp, c) | |
| out = tokens.permute(0, 3, 1, 2).contiguous() | |
| return out[:, :, :h, :w] | |
| class SwinUNetClassifier(nn.Module): | |
| def __init__(self, in_channels: int): | |
| super().__init__() | |
| base = 48 | |
| self.stem = ConvNormAct(in_channels, base) | |
| self.enc1 = nn.Sequential(WindowAttentionBlock(base, num_heads=4, window_size=7, dropout=args.dropout), ConvNormAct(base, base)) | |
| self.down = ConvNormAct(base, base * 2, stride=2) | |
| self.enc2 = nn.Sequential(WindowAttentionBlock(base * 2, num_heads=4, window_size=5, dropout=args.dropout), ConvNormAct(base * 2, base * 2)) | |
| self.bottleneck = nn.Sequential(ConvNormAct(base * 2, base * 2), WindowAttentionBlock(base * 2, num_heads=4, window_size=5, dropout=args.dropout)) | |
| self.fuse = ConvNormAct(base * 3, base) | |
| self.dec_attn = WindowAttentionBlock(base, num_heads=4, window_size=7, dropout=args.dropout) | |
| self.head = nn.Sequential( | |
| nn.AdaptiveAvgPool2d(1), | |
| nn.Flatten(), | |
| nn.Linear(base, args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| s1 = self.enc1(self.stem(x)) | |
| z = self.enc2(self.down(s1)) | |
| z = self.bottleneck(z) | |
| z = F.interpolate(z, size=s1.shape[-2:], mode="bilinear", align_corners=False) | |
| z = self.fuse(torch.cat([z, s1], dim=1)) | |
| z = self.dec_attn(z) | |
| return self.head(z).squeeze(-1) | |
| class MixFFN(nn.Module): | |
| def __init__(self, dim: int, dropout: float): | |
| super().__init__() | |
| self.fc1 = nn.Conv2d(dim, dim * 2, kernel_size=1) | |
| self.dwconv = nn.Conv2d(dim * 2, dim * 2, kernel_size=3, padding=1, groups=dim * 2) | |
| self.fc2 = nn.Conv2d(dim * 2, dim, kernel_size=1) | |
| self.drop = nn.Dropout(dropout) | |
| def forward(self, x): | |
| return self.fc2(self.drop(F.gelu(self.dwconv(self.fc1(x))))) | |
| class SpatialTransformerBlock(nn.Module): | |
| def __init__(self, dim: int, num_heads: int, dropout: float): | |
| super().__init__() | |
| self.norm1 = nn.LayerNorm(dim) | |
| self.attn = nn.MultiheadAttention(dim, num_heads=num_heads, dropout=dropout, batch_first=True) | |
| self.norm2 = nn.BatchNorm2d(dim) | |
| self.ffn = MixFFN(dim, dropout) | |
| def forward(self, x): | |
| b, c, h, w = x.shape | |
| tokens = x.flatten(2).transpose(1, 2) | |
| attn_in = self.norm1(tokens) | |
| attn_out, _ = self.attn(attn_in, attn_in, attn_in, need_weights=False) | |
| x = (tokens + attn_out).transpose(1, 2).reshape(b, c, h, w) | |
| x = x + self.ffn(self.norm2(x)) | |
| return x | |
| class SegFormerClassifier(nn.Module): | |
| def __init__(self, in_channels: int): | |
| super().__init__() | |
| dims = [48, 96, 160] | |
| self.stage1 = nn.Sequential( | |
| nn.Conv2d(in_channels, dims[0], kernel_size=7, stride=2, padding=3, bias=False), | |
| nn.BatchNorm2d(dims[0]), | |
| nn.ReLU(inplace=True), | |
| SpatialTransformerBlock(dims[0], num_heads=4, dropout=args.dropout), | |
| ) | |
| self.stage2 = nn.Sequential( | |
| nn.Conv2d(dims[0], dims[1], kernel_size=3, stride=2, padding=1, bias=False), | |
| nn.BatchNorm2d(dims[1]), | |
| nn.ReLU(inplace=True), | |
| SpatialTransformerBlock(dims[1], num_heads=4, dropout=args.dropout), | |
| ) | |
| self.stage3 = nn.Sequential( | |
| nn.Conv2d(dims[1], dims[2], kernel_size=3, stride=2, padding=1, bias=False), | |
| nn.BatchNorm2d(dims[2]), | |
| nn.ReLU(inplace=True), | |
| SpatialTransformerBlock(dims[2], num_heads=4, dropout=args.dropout), | |
| ) | |
| self.head = nn.Sequential( | |
| nn.AdaptiveAvgPool2d(1), | |
| nn.Flatten(), | |
| nn.Linear(dims[2], args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| return self.head(self.stage3(self.stage2(self.stage1(x)))).squeeze(-1) | |
| class ConvLSTMCell(nn.Module): | |
| def __init__(self, in_ch: int, hidden_ch: int): | |
| super().__init__() | |
| self.hidden_ch = hidden_ch | |
| self.gates = nn.Conv2d(in_ch + hidden_ch, hidden_ch * 4, kernel_size=3, padding=1) | |
| def forward(self, x, h, c): | |
| gates = self.gates(torch.cat([x, h], dim=1)) | |
| i, f, o, g = torch.chunk(gates, 4, dim=1) | |
| i, f, o = torch.sigmoid(i), torch.sigmoid(f), torch.sigmoid(o) | |
| g = torch.tanh(g) | |
| c = f * c + i * g | |
| h = o * torch.tanh(c) | |
| return h, c | |
| class ConvLSTMClassifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| hidden = 64 | |
| self.cell = ConvLSTMCell(in_ch, hidden) | |
| self.head = nn.Sequential(nn.AdaptiveAvgPool2d(1), nn.Flatten(), nn.Linear(hidden, args.fusion_hidden), nn.ReLU(), nn.Dropout(args.dropout), nn.Linear(args.fusion_hidden, 1)) | |
| def forward(self, x): | |
| b, t, _, h, w = x.shape | |
| h_state = x.new_zeros((b, 64, h, w)) | |
| c_state = x.new_zeros((b, 64, h, w)) | |
| for step in range(t): | |
| h_state, c_state = self.cell(x[:, step], h_state, c_state) | |
| return self.head(h_state).squeeze(-1) | |
| class ConvGRUCell(nn.Module): | |
| def __init__(self, in_ch: int, hidden_ch: int): | |
| super().__init__() | |
| self.hidden_ch = hidden_ch | |
| self.reset_update = nn.Conv2d(in_ch + hidden_ch, hidden_ch * 2, kernel_size=3, padding=1) | |
| self.out_gate = nn.Conv2d(in_ch + hidden_ch, hidden_ch, kernel_size=3, padding=1) | |
| def forward(self, x, h): | |
| z_r = self.reset_update(torch.cat([x, h], dim=1)) | |
| z, r = torch.chunk(z_r, 2, dim=1) | |
| z, r = torch.sigmoid(z), torch.sigmoid(r) | |
| n = torch.tanh(self.out_gate(torch.cat([x, r * h], dim=1))) | |
| return (1.0 - z) * h + z * n | |
| class ConvGRUClassifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| hidden = 64 | |
| self.cell = ConvGRUCell(in_ch, hidden) | |
| self.head = nn.Sequential(nn.AdaptiveAvgPool2d(1), nn.Flatten(), nn.Linear(hidden, args.fusion_hidden), nn.ReLU(), nn.Dropout(args.dropout), nn.Linear(args.fusion_hidden, 1)) | |
| def forward(self, x): | |
| b, t, _, h, w = x.shape | |
| h_state = x.new_zeros((b, 64, h, w)) | |
| for step in range(t): | |
| h_state = self.cell(x[:, step], h_state) | |
| return self.head(h_state).squeeze(-1) | |
| class PredRNNV2Cell(nn.Module): | |
| def __init__(self, in_ch: int, hidden_ch: int): | |
| super().__init__() | |
| self.hidden_ch = hidden_ch | |
| self.x_proj = nn.Conv2d(in_ch, hidden_ch * 4, kernel_size=3, padding=1) | |
| self.h_proj = nn.Conv2d(hidden_ch, hidden_ch * 4, kernel_size=3, padding=1) | |
| self.m_proj = nn.Conv2d(hidden_ch, hidden_ch * 3, kernel_size=3, padding=1) | |
| self.fuse = nn.Conv2d(hidden_ch * 2, hidden_ch, kernel_size=1) | |
| def forward(self, x, h, c, m): | |
| xi, xf, xo, xg = torch.chunk(self.x_proj(x), 4, dim=1) | |
| hi, hf, ho, hg = torch.chunk(self.h_proj(h), 4, dim=1) | |
| mi, mf, mg = torch.chunk(self.m_proj(m), 3, dim=1) | |
| i = torch.sigmoid(xi + hi) | |
| f = torch.sigmoid(xf + hf + 1.0) | |
| g = torch.tanh(xg + hg) | |
| c = f * c + i * g | |
| i_m = torch.sigmoid(xi + mi) | |
| f_m = torch.sigmoid(xf + mf + 1.0) | |
| g_m = torch.tanh(xg + mg) | |
| m = f_m * m + i_m * g_m | |
| fused = self.fuse(torch.cat([c, m], dim=1)) | |
| o = torch.sigmoid(xo + ho) | |
| h = o * torch.tanh(fused) | |
| return h, c, m | |
| class PredRNNV2Classifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| hidden = 64 | |
| self.cell = PredRNNV2Cell(in_ch, hidden) | |
| self.head = nn.Sequential(nn.AdaptiveAvgPool2d(1), nn.Flatten(), nn.Linear(hidden, args.fusion_hidden), nn.ReLU(), nn.Dropout(args.dropout), nn.Linear(args.fusion_hidden, 1)) | |
| def forward(self, x): | |
| b, t, _, h, w = x.shape | |
| h_state = x.new_zeros((b, 64, h, w)) | |
| c_state = x.new_zeros((b, 64, h, w)) | |
| m_state = x.new_zeros((b, 64, h, w)) | |
| for step in range(t): | |
| h_state, c_state, m_state = self.cell(x[:, step], h_state, c_state, m_state) | |
| return self.head(h_state).squeeze(-1) | |
| class BasicBlock3D(nn.Module): | |
| def __init__(self, in_ch: int, out_ch: int, stride: tuple[int, int, int] = (1, 1, 1)): | |
| super().__init__() | |
| self.net = nn.Sequential( | |
| nn.Conv3d(in_ch, out_ch, kernel_size=3, stride=stride, padding=1, bias=False), | |
| nn.BatchNorm3d(out_ch), | |
| nn.ReLU(inplace=True), | |
| nn.Conv3d(out_ch, out_ch, kernel_size=3, padding=1, bias=False), | |
| nn.BatchNorm3d(out_ch), | |
| ) | |
| self.skip = ( | |
| nn.Sequential(nn.Conv3d(in_ch, out_ch, kernel_size=1, stride=stride, bias=False), nn.BatchNorm3d(out_ch)) | |
| if in_ch != out_ch or stride != (1, 1, 1) | |
| else nn.Identity() | |
| ) | |
| def forward(self, x): | |
| return F.relu(self.net(x) + self.skip(x), inplace=True) | |
| class ResNet3DClassifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| base = 32 | |
| self.net = nn.Sequential( | |
| nn.Conv3d(in_ch, base, kernel_size=3, padding=1, bias=False), | |
| nn.BatchNorm3d(base), | |
| nn.ReLU(inplace=True), | |
| BasicBlock3D(base, base), | |
| BasicBlock3D(base, base * 2, stride=(1, 2, 2)), | |
| BasicBlock3D(base * 2, base * 4, stride=(1, 2, 2)), | |
| BasicBlock3D(base * 4, base * 8, stride=(1, 2, 2)), | |
| nn.AdaptiveAvgPool3d(1), | |
| nn.Flatten(), | |
| nn.Linear(base * 8, args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| return self.net(x.transpose(1, 2)).squeeze(-1) | |
| class UTAEClassifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| hidden = 64 | |
| self.encoder = nn.Sequential( | |
| ConvNormAct(in_ch, hidden), | |
| ResidualBlock(hidden, hidden), | |
| ConvNormAct(hidden, hidden * 2, stride=2), | |
| ResidualBlock(hidden * 2, hidden * 2), | |
| ) | |
| self.attn = nn.Sequential( | |
| nn.Linear(hidden * 2, hidden), | |
| nn.Tanh(), | |
| nn.Linear(hidden, 1), | |
| ) | |
| self.fuse = ConvNormAct(hidden * 2, hidden * 2) | |
| self.head = nn.Sequential( | |
| nn.AdaptiveAvgPool2d(1), | |
| nn.Flatten(), | |
| nn.Linear(hidden * 2, args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| b, t, c, h, w = x.shape | |
| feat = self.encoder(x.reshape(b * t, c, h, w)) | |
| _, ch, fh, fw = feat.shape | |
| feat = feat.view(b, t, ch, fh, fw) | |
| desc = feat.mean(dim=(-2, -1)) | |
| weights = torch.softmax(self.attn(desc).squeeze(-1), dim=1) | |
| agg = (feat * weights[:, :, None, None, None]).sum(dim=1) | |
| return self.head(self.fuse(agg)).squeeze(-1) | |
| class SwinLSTMClassifier(nn.Module): | |
| def __init__(self, in_ch: int): | |
| super().__init__() | |
| hidden = 48 | |
| self.hidden = hidden | |
| self.stem = nn.Sequential( | |
| nn.Conv2d(in_ch, hidden, kernel_size=3, stride=2, padding=1, bias=False), | |
| nn.BatchNorm2d(hidden), | |
| nn.ReLU(inplace=True), | |
| WindowAttentionBlock(hidden, num_heads=4, window_size=5, dropout=args.dropout), | |
| ) | |
| self.cell = ConvLSTMCell(hidden, hidden) | |
| self.post_attn = WindowAttentionBlock(hidden, num_heads=4, window_size=5, dropout=args.dropout) | |
| self.head = nn.Sequential( | |
| nn.AdaptiveAvgPool2d(1), | |
| nn.Flatten(), | |
| nn.Linear(hidden, args.fusion_hidden), | |
| nn.ReLU(inplace=True), | |
| nn.Dropout(args.dropout), | |
| nn.Linear(args.fusion_hidden, 1), | |
| ) | |
| def forward(self, x): | |
| b, t, _, _, _ = x.shape | |
| first = self.stem(x[:, 0]) | |
| h_state = x.new_zeros((b, self.hidden, first.shape[-2], first.shape[-1])) | |
| c_state = x.new_zeros((b, self.hidden, first.shape[-2], first.shape[-1])) | |
| h_state, c_state = self.cell(first, h_state, c_state) | |
| for step in range(t): | |
| if step == 0: | |
| continue | |
| x_step = self.stem(x[:, step]) | |
| h_state, c_state = self.cell(x_step, h_state, c_state) | |
| h_state = self.post_attn(h_state) | |
| return self.head(h_state).squeeze(-1) | |
| if len(input_shape) == 3: | |
| in_ch = int(input_shape[0]) | |
| if model_name in {"resnet18_unet", "resnet50_unet"}: | |
| return ResNetUNetClassifier(in_ch, model_name).to(torch_device) | |
| if model_name == "swin_unet": | |
| return SwinUNetClassifier(in_ch).to(torch_device) | |
| if model_name == "segformer": | |
| return SegFormerClassifier(in_ch).to(torch_device) | |
| if len(input_shape) == 4: | |
| in_ch = int(input_shape[1]) | |
| if model_name == "convlstm": | |
| return ConvLSTMClassifier(in_ch).to(torch_device) | |
| if model_name == "convgru": | |
| return ConvGRUClassifier(in_ch).to(torch_device) | |
| if model_name == "predrnn_v2": | |
| return PredRNNV2Classifier(in_ch).to(torch_device) | |
| if model_name == "resnet3d": | |
| return ResNet3DClassifier(in_ch).to(torch_device) | |
| if model_name == "utae": | |
| return UTAEClassifier(in_ch).to(torch_device) | |
| if model_name == "swinlstm": | |
| return SwinLSTMClassifier(in_ch).to(torch_device) | |
| raise ValueError(f"Model {model_name} does not match input shape {input_shape}.") | |
| def train_patch_neural(args, data: dict[str, Any], out_dir: Path, cache: Path, device: dict[str, Any], model_name: str) -> None: | |
| try: | |
| import torch | |
| import torch.nn as nn | |
| except ImportError as exc: | |
| raise ImportError("PyTorch is required for patch neural models.") from exc | |
| start = time.time() | |
| torch_device = torch.device(device["device"] if str(device.get("device", "cpu")).startswith("cuda") else "cpu") | |
| X_train = data["train"]["X"] | |
| X_val = data["val"]["X"] | |
| X_test = data["test"]["X"] | |
| y_train_np = data["train"]["y"].astype(np.float32) | |
| y_val_np = data["val"]["y"].astype(np.float32) | |
| y_test_np = data["test"]["y"].astype(np.float32) | |
| channel_mean = None | |
| channel_std = None | |
| if args.standardize_channels: | |
| print("Computing train-only channel standardization stats...", flush=True) | |
| channel_mean, channel_std = compute_channel_standardization_stats(X_train, out_dir) | |
| model = build_patch_model(model_name, tuple(X_train.shape[1:]), args, torch_device) | |
| if args.task == "ia_failure": | |
| criterion, criterion_unweighted, raw_pos_weight, pos_weight, imbalance_strategy = bce_with_optional_pos_weight( | |
| nn, args, y_train_np, torch_device | |
| ) | |
| maximize = True | |
| best_metric_name = "val_auprc" | |
| else: | |
| criterion = nn.HuberLoss() | |
| criterion_unweighted = None | |
| raw_pos_weight = None | |
| pos_weight = None | |
| imbalance_strategy = None | |
| maximize = False | |
| best_metric_name = "val_mae_hours" | |
| optimizer = torch.optim.AdamW(model.parameters(), lr=args.lr, weight_decay=args.weight_decay) | |
| scheduler, scheduler_type = build_neural_scheduler(optimizer, args, args.task) | |
| batch_size = args.batch_size or default_batch_size(canonical_representation_name(args.representation)) | |
| sampling_prob = None | |
| if args.task == "ia_failure" and args.sampling_strategy == "weighted": | |
| class_counts = np.bincount(y_train_np.astype(int), minlength=2).astype(float) | |
| weights = 1.0 / np.maximum(class_counts[y_train_np.astype(int)], 1.0) | |
| sampling_prob = weights / weights.sum() | |
| history = [] | |
| best_value = -float("inf") if maximize else float("inf") | |
| best_epoch = -1 | |
| patience = 0 | |
| def predict_numpy(X) -> np.ndarray: | |
| model.eval() | |
| outputs = [] | |
| with torch.no_grad(): | |
| for start_idx in range(0, len(X), batch_size * 2): | |
| batch_np = standardize_patch_batch(X[start_idx : start_idx + batch_size * 2], channel_mean, channel_std) | |
| batch = torch.tensor(batch_np, dtype=torch.float32, device=torch_device) | |
| outputs.append(model(batch).detach().cpu().numpy()) | |
| return np.concatenate(outputs) | |
| for epoch in range(1, args.max_epochs + 1): | |
| model.train() | |
| total_loss = 0.0 | |
| total_unweighted_bce = 0.0 | |
| total_n = 0 | |
| if sampling_prob is None: | |
| order = np.random.permutation(len(y_train_np)) | |
| else: | |
| order = np.random.choice(np.arange(len(y_train_np)), size=len(y_train_np), replace=True, p=sampling_prob) | |
| train_logits_epoch = [] | |
| train_y_epoch = [] | |
| optimizer.zero_grad(set_to_none=True) | |
| num_batches = int(math.ceil(len(order) / batch_size)) | |
| for start_idx in range(0, len(order), batch_size): | |
| batch_number = start_idx // batch_size + 1 | |
| batch_idx = order[start_idx : start_idx + batch_size] | |
| xb_np = standardize_patch_batch(X_train[batch_idx], channel_mean, channel_std) | |
| xb = torch.tensor(xb_np, dtype=torch.float32, device=torch_device) | |
| yb = torch.tensor(y_train_np[batch_idx], dtype=torch.float32, device=torch_device) | |
| pred = model(xb) | |
| loss = criterion(pred, yb) | |
| (loss / max(1, args.grad_accum_steps)).backward() | |
| if batch_number % args.grad_accum_steps == 0 or batch_number == num_batches: | |
| if args.gradient_clip and args.gradient_clip > 0: | |
| torch.nn.utils.clip_grad_norm_(model.parameters(), args.gradient_clip) | |
| optimizer.step() | |
| optimizer.zero_grad(set_to_none=True) | |
| total_loss += float(loss.detach().cpu()) * len(yb) | |
| if criterion_unweighted is not None: | |
| unweighted_loss = criterion_unweighted(pred, yb) | |
| total_unweighted_bce += float(unweighted_loss.detach().cpu()) * len(yb) | |
| train_logits_epoch.append(pred.detach().cpu().numpy()) | |
| train_y_epoch.append(yb.detach().cpu().numpy()) | |
| total_n += len(yb) | |
| train_loss = total_loss / max(1, total_n) | |
| train_bce_unweighted = total_unweighted_bce / max(1, total_n) if criterion_unweighted is not None else None | |
| val_raw = predict_numpy(X_val) | |
| with torch.no_grad(): | |
| val_raw_t = torch.tensor(val_raw, dtype=torch.float32, device=torch_device) | |
| y_val_t = torch.tensor(y_val_np, dtype=torch.float32, device=torch_device) | |
| val_loss = float(criterion(val_raw_t, y_val_t).detach().cpu()) | |
| val_bce_unweighted = None | |
| if criterion_unweighted is not None: | |
| val_bce_unweighted = float(criterion_unweighted(val_raw_t, y_val_t).detach().cpu()) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| metrics = classification_metrics(y_val_np, val_score, threshold) | |
| train_score = sigmoid(np.concatenate(train_logits_epoch)) if train_logits_epoch else np.array([]) | |
| train_y_diag = np.concatenate(train_y_epoch) if train_y_epoch else np.array([]) | |
| train_metrics = train_epoch_metrics(train_y_diag, train_score) if len(train_score) else {} | |
| monitor = metrics["auprc"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_auprc": metrics["auprc"], | |
| "val_auroc": metrics["auroc"], | |
| "val_f1": metrics["f1"], | |
| "val_precision": metrics["precision"], | |
| "val_recall": metrics["recall"], | |
| "val_balanced_accuracy": metrics["balanced_accuracy"], | |
| "val_brier": metrics["brier"], | |
| "val_bce": metrics["bce"], | |
| "val_ece": metrics["ece"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| "train_bce_unweighted": train_bce_unweighted, | |
| "val_bce_unweighted": val_bce_unweighted, | |
| "pos_weight_raw": raw_pos_weight, | |
| "pos_weight_effective": pos_weight, | |
| } | |
| row.update(train_metrics) | |
| else: | |
| hours_true = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| metrics = regression_metrics(y_val_np, val_raw, hours_true) | |
| monitor = metrics["mae_hours"] | |
| row = { | |
| "epoch": epoch, | |
| "train_loss": train_loss, | |
| "val_loss": val_loss, | |
| "val_mae_hours": metrics["mae_hours"], | |
| "val_rmse_hours": metrics["rmse_hours"], | |
| "val_median_ae_hours": metrics["median_ae_hours"], | |
| "val_log_mae": metrics["log_mae"], | |
| "val_log_rmse": metrics["log_rmse"], | |
| "val_r2": metrics["r2"], | |
| "val_spearman": metrics["spearman"], | |
| "val_pearson": metrics["pearson"], | |
| "lr": optimizer.param_groups[0]["lr"], | |
| } | |
| if scheduler is not None: | |
| step_neural_scheduler(scheduler, scheduler_type, monitor) | |
| row["lr"] = optimizer.param_groups[0]["lr"] | |
| history.append(row) | |
| improved = monitor > best_value if maximize else monitor < best_value | |
| if improved: | |
| best_value = monitor | |
| best_epoch = epoch | |
| patience = 0 | |
| torch.save( | |
| { | |
| "epoch": epoch, | |
| "model_name": model_name, | |
| "model_state_dict": model.state_dict(), | |
| "metric": best_value, | |
| "input_shape": list(X_train.shape[1:]), | |
| }, | |
| out_dir / "best_checkpoint.pt", | |
| ) | |
| else: | |
| patience += 1 | |
| torch.save( | |
| { | |
| "epoch": epoch, | |
| "model_name": model_name, | |
| "model_state_dict": model.state_dict(), | |
| "metric": monitor, | |
| "input_shape": list(X_train.shape[1:]), | |
| }, | |
| out_dir / "last_checkpoint.pt", | |
| ) | |
| if args.task == "ia_failure": | |
| print(f"{model_name} epoch {epoch}: train_loss={train_loss:.4f} val_auprc={metrics['auprc']:.4f} val_auroc={metrics['auroc']:.4f}", flush=True) | |
| else: | |
| print(f"{model_name} epoch {epoch}: train_loss={train_loss:.4f} val_mae_hours={metrics['mae_hours']:.4f} val_rmse_hours={metrics['rmse_hours']:.4f}", flush=True) | |
| if patience >= args.early_stop_patience: | |
| print(f"Early stopping at epoch {epoch}; best_epoch={best_epoch}, {best_metric_name}={best_value:.6f}") | |
| break | |
| checkpoint = torch.load(out_dir / "best_checkpoint.pt", map_location=torch_device) | |
| model.load_state_dict(checkpoint["model_state_dict"]) | |
| val_raw = predict_numpy(X_val) | |
| test_raw = predict_numpy(X_test) | |
| if args.task == "ia_failure": | |
| val_score = sigmoid(val_raw) | |
| test_score = sigmoid(test_raw) | |
| threshold, _ = best_f1_threshold(y_val_np, val_score) | |
| val_metrics = classification_metrics(y_val_np, val_score, threshold) | |
| test_metrics = classification_metrics(y_test_np, test_score, threshold) | |
| pred_val = classification_predictions(data["val"]["index"], y_val_np, val_score, threshold, model_name, args.seed) | |
| pred_test = classification_predictions(data["test"]["index"], y_test_np, test_score, threshold, model_name, args.seed) | |
| if args.save_train_predictions: | |
| train_raw = predict_numpy(X_train) | |
| train_score = sigmoid(train_raw) | |
| classification_predictions(data["train"]["index"], y_train_np, train_score, threshold, model_name, args.seed).to_parquet( | |
| out_dir / "predictions_train.parquet", index=False | |
| ) | |
| extra = { | |
| "class_imbalance_strategy": imbalance_strategy, | |
| "raw_pos_weight_or_scale_pos_weight": raw_pos_weight, | |
| "pos_weight_or_scale_pos_weight": pos_weight, | |
| "disable_pos_weight": bool(args.disable_pos_weight), | |
| "pos_weight_scale": float(args.pos_weight_scale), | |
| "loss_type": args.loss_type, | |
| "label_smoothing": float(args.label_smoothing), | |
| "focal_gamma": float(args.focal_gamma), | |
| "lr_scheduler_type": scheduler_type, | |
| "best_threshold_from_val": threshold, | |
| "best_epoch": int(best_epoch), | |
| "input_shape": list(X_train.shape[1:]), | |
| } | |
| extra.update(score_logit_diagnostics(val_score, "val")) | |
| extra.update(score_logit_diagnostics(test_score, "test")) | |
| else: | |
| val_hours = data["val"]["index"].get("containment_hours", pd.Series(np.expm1(y_val_np))).to_numpy(dtype=float) | |
| test_hours = data["test"]["index"].get("containment_hours", pd.Series(np.expm1(y_test_np))).to_numpy(dtype=float) | |
| val_metrics = regression_metrics(y_val_np, val_raw, val_hours) | |
| test_metrics = regression_metrics(y_test_np, test_raw, test_hours) | |
| pred_val = regression_predictions(data["val"]["index"], y_val_np, val_raw, model_name, args.seed) | |
| pred_test = regression_predictions(data["test"]["index"], y_test_np, test_raw, model_name, args.seed) | |
| extra = { | |
| "class_imbalance_strategy": None, | |
| "pos_weight_or_scale_pos_weight": None, | |
| "lr_scheduler_type": scheduler_type, | |
| "best_epoch": int(best_epoch), | |
| "input_shape": list(X_train.shape[1:]), | |
| } | |
| history_df = pd.DataFrame(history) | |
| history_df.to_csv(out_dir / "history.csv", index=False) | |
| plot_training_curves(history_df, out_dir, args.task, best_epoch=best_epoch) | |
| pred_val.to_parquet(out_dir / "predictions_val.parquet", index=False) | |
| pred_test.to_parquet(out_dir / "predictions_test.parquet", index=False) | |
| runtime = time.time() - start | |
| metrics_payload = base_metrics_payload(args, model_name, cache, out_dir, data, runtime, device) | |
| metrics_payload.update(extra) | |
| metrics_payload.update({f"val_{k}": v for k, v in val_metrics.items()}) | |
| metrics_payload.update({f"test_{k}": v for k, v in test_metrics.items()}) | |
| write_json(out_dir / "metrics.json", metrics_payload) | |
| def train_one(args, model_name: str) -> None: | |
| registry = MODEL_REGISTRY[model_name] | |
| if not registry["implemented"]: | |
| raise NotImplementedError(f"Model {model_name} is registered but not implemented in this first version.") | |
| representation = canonical_representation_name(args.representation) | |
| if representation not in registry["families"] and not (representation == "tabular" and model_name in {"logistic_regression", "xgboost", "mlp"}): | |
| raise ValueError(f"Model {model_name} does not support representation={args.representation}.") | |
| if representation not in {"tabular", "temporal", "spatial", "spatiotemporal"}: | |
| raise NotImplementedError("This train.py version supports tabular, temporal, spatial, and spatiotemporal models.") | |
| if args.gpu_id is not None: | |
| os.environ.setdefault("CUDA_VISIBLE_DEVICES", str(args.gpu_id)) | |
| set_seed(args.seed) | |
| device = device_info(args.device, None if os.environ.get("CUDA_VISIBLE_DEVICES") else args.gpu_id) | |
| cache = cache_dir(args.base_dir, args.task, args.representation, args.weather_days, args.input_protocol) | |
| if not cache.exists(): | |
| raise FileNotFoundError(f"Input cache directory does not exist: {cache}") | |
| data = load_cache(cache, args.task, args.representation) | |
| data = apply_debug_sample_limits(data, args) | |
| effective_name = output_model_name(args.task, model_name) | |
| out_dir = run_dir( | |
| args.base_dir, | |
| args.task, | |
| args.experiment_type, | |
| args.ablation_name, | |
| args.run_tag, | |
| args.representation, | |
| args.weather_days, | |
| args.input_protocol, | |
| effective_name, | |
| args.seed, | |
| ) | |
| prepare_run_dir(out_dir, args.overwrite) | |
| config = vars(args).copy() | |
| config["model_name"] = effective_name | |
| config["input_cache_dir"] = str(cache) | |
| config["output_dir"] = str(out_dir) | |
| config["created_at"] = created_at() | |
| config["effective_batch_size"] = int((args.batch_size or default_batch_size(args.representation)) * args.grad_accum_steps) | |
| write_json(out_dir / "config.json", config) | |
| save_common_artifacts(out_dir, cache) | |
| if model_name == "logistic_regression": | |
| train_logistic_or_ridge(args, data, out_dir, cache, device) | |
| elif model_name == "xgboost": | |
| train_xgboost(args, data, out_dir, cache, device) | |
| elif model_name == "mlp": | |
| train_mlp(args, data, out_dir, cache, device) | |
| elif model_name in {"gru", "tcn", "transformer"}: | |
| train_temporal_neural(args, data, out_dir, cache, device, model_name) | |
| elif model_name in {"resnet18_unet", "resnet50_unet", "swin_unet", "segformer", "convlstm", "convgru", "predrnn_v2", "resnet3d", "utae", "swinlstm"}: | |
| train_patch_neural(args, data, out_dir, cache, device, model_name) | |
| else: | |
| raise NotImplementedError(f"Model {model_name} is registered but not implemented in this first version.") | |
| print(f"Wrote experiment: {out_dir}") | |
| def default_batch_size(representation: str) -> int: | |
| return { | |
| "tabular": 512, | |
| "temporal": 256, | |
| "sequence": 256, | |
| "spatial": 64, | |
| "spatiotemporal": 32, | |
| }[representation] | |
| def parse_args() -> argparse.Namespace: | |
| parser = argparse.ArgumentParser(description="Train wildfire Initial Attack benchmark models from model-ready caches.") | |
| parser.add_argument("--base_dir", default=".") | |
| parser.add_argument("--task", choices=["ia_failure", "containment_time"], default="ia_failure") | |
| parser.add_argument("--experiment_type", choices=["smoke", "full", "ablation"], default="full") | |
| parser.add_argument("--ablation_name", default=None) | |
| parser.add_argument("--run_tag", default=None) | |
| parser.add_argument("--representation", choices=["tabular", "temporal", "sequence", "spatial", "spatiotemporal"], default="tabular") | |
| parser.add_argument("--weather_days", choices=[1, 2, 3, 4, 5], type=int, default=5) | |
| parser.add_argument("--input_protocol", default="all") | |
| parser.add_argument("--model", choices=list(MODEL_REGISTRY) + ["all"], default="xgboost") | |
| parser.add_argument("--seed", type=int, default=0) | |
| parser.add_argument("--device", choices=["auto", "cpu", "cuda"], default="auto") | |
| parser.add_argument("--gpu_id", type=int, default=None) | |
| parser.add_argument("--max_epochs", type=int, default=100) | |
| parser.add_argument("--batch_size", type=int, default=None) | |
| parser.add_argument("--lr", type=float, default=1e-3) | |
| parser.add_argument("--weight_decay", type=float, default=1e-4) | |
| parser.add_argument("--early_stop_patience", type=int, default=15) | |
| parser.add_argument("--gradient_clip", type=float, default=1.0) | |
| parser.add_argument("--use_lr_scheduler", action="store_true") | |
| parser.add_argument("--lr_scheduler_type", choices=["none", "plateau", "cosine"], default="none") | |
| parser.add_argument("--warmup_epochs", type=int, default=0) | |
| parser.add_argument("--min_lr_ratio", type=float, default=0.05) | |
| parser.add_argument("--standardize_channels", action="store_true") | |
| parser.add_argument("--sampling_strategy", choices=["random", "weighted"], default="random") | |
| parser.add_argument("--disable_pos_weight", action="store_true") | |
| parser.add_argument("--pos_weight_scale", type=float, default=1.0) | |
| parser.add_argument("--loss_type", choices=["bce", "focal"], default="bce") | |
| parser.add_argument("--label_smoothing", type=float, default=0.0) | |
| parser.add_argument("--focal_gamma", type=float, default=2.0) | |
| parser.add_argument("--grad_accum_steps", type=int, default=1) | |
| parser.add_argument("--limit_train_samples", type=int, default=None) | |
| parser.add_argument("--limit_val_samples", type=int, default=None) | |
| parser.add_argument("--save_train_predictions", action="store_true") | |
| parser.add_argument("--dropout", type=float, default=0.2) | |
| parser.add_argument("--static_hidden", type=int, default=256) | |
| parser.add_argument("--static_out", type=int, default=128) | |
| parser.add_argument("--fusion_hidden", type=int, default=128) | |
| parser.add_argument("--overwrite", action="store_true") | |
| args = parser.parse_args() | |
| args.base_dir = ensure_project_path(Path(args.base_dir)) | |
| if args.grad_accum_steps < 1: | |
| raise ValueError("--grad_accum_steps must be >= 1") | |
| if args.pos_weight_scale < 0: | |
| raise ValueError("--pos_weight_scale must be >= 0") | |
| if not (0.0 <= args.label_smoothing < 1.0): | |
| raise ValueError("--label_smoothing must be in [0, 1)") | |
| if args.focal_gamma < 0: | |
| raise ValueError("--focal_gamma must be >= 0") | |
| if args.warmup_epochs < 0: | |
| raise ValueError("--warmup_epochs must be >= 0") | |
| if not (0.0 <= args.min_lr_ratio <= 1.0): | |
| raise ValueError("--min_lr_ratio must be in [0, 1]") | |
| if args.batch_size is None: | |
| args.batch_size = default_batch_size(args.representation) | |
| return args | |
| def main() -> None: | |
| args = parse_args() | |
| if args.model == "all": | |
| representation = canonical_representation_name(args.representation) | |
| if representation == "tabular": | |
| model_names = ["logistic_regression", "xgboost", "mlp"] | |
| else: | |
| model_names = [ | |
| name | |
| for name, spec in MODEL_REGISTRY.items() | |
| if representation in spec["families"] and spec["implemented"] | |
| ] | |
| skipped = [ | |
| name | |
| for name, spec in MODEL_REGISTRY.items() | |
| if representation in spec["families"] and not spec["implemented"] | |
| ] | |
| for name in skipped: | |
| print(f"Warning: skipping unimplemented registered model: {name}") | |
| for name in model_names: | |
| train_one(args, name) | |
| else: | |
| train_one(args, args.model) | |
| if __name__ == "__main__": | |
| main() | |