""" Evaluate Conditional Diffusion Model (6 cosmological parameters, CAMELS LH). Usage: python evaluate_conditional.py python evaluate_conditional.py --checkpoint outputs_conditional_6param_*/checkpoints/best_model.pt Changes from original: - Loads args.json (saved by training script) for robust config parsing - Falls back to args.txt parsing if JSON not available - Vectorized power spectrum calculation (~100x speedup) - Added weights_only parameter to torch.load """ import argparse import ast import json import os from pathlib import Path from typing import Dict, Tuple _SCRIPT_DIR = Path(__file__).resolve().parent # Trained weights live under april_26 (this Models tree holds code only). _DEFAULT_CHECKPOINT = Path( "/april_26/ddpm_hi_lh6/" "outputs_conditional_6param_20260413_132226/checkpoints/best_model.pt" ) _DEFAULT_DATA_DIR = "/data/LH_data/params_6" import matplotlib matplotlib.use("Agg") import matplotlib.pyplot as plt import numpy as np import torch from diffusion_conditional import GaussianDiffusion, ConditionalDiffusionModel from unet_conditional import ConditionalUNet def parse_args() -> argparse.Namespace: parser = argparse.ArgumentParser(description="Evaluate conditional 6-parameter diffusion model") parser.add_argument( "--checkpoint", type=str, default=str(_DEFAULT_CHECKPOINT), help="Path to trained checkpoint (default: 6-param run best_model.pt next to this script)", ) parser.add_argument( "--training_args", type=str, default=None, help="Path to args.json or args.txt from training (auto-detected from checkpoint folder if not provided)", ) parser.add_argument( "--data_dir", type=str, default=_DEFAULT_DATA_DIR, help="Directory with train_LH_6.npy / train_labels_LH.npy (CAMELS LH params_6 layout)", ) parser.add_argument( "--split", type=str, default="test", choices=["train", "val", "test"], help="Which split to use for real images", ) parser.add_argument( "--num_samples", type=int, default=8, help="Number of examples to show in the comparison grid", ) parser.add_argument( "--seed", type=int, default=42, help="Random seed for reproducibility", ) parser.add_argument( "--output_dir", type=str, default="evaluation_outputs", help="Where to save plots and results", ) parser.add_argument( "--ddim_steps", type=int, default=50, help="Number of DDIM sampling steps", ) return parser.parse_args() def load_training_config(path: str) -> Dict: """Load training configuration. Prefers JSON, falls back to txt parsing.""" # Try JSON first (written by improved training script) json_path = path.replace('.txt', '.json') if path.endswith('.txt') else path if json_path.endswith('.json') and os.path.isfile(json_path): with open(json_path, 'r') as f: return json.load(f) # Fall back to txt parsing if not os.path.isfile(path): raise FileNotFoundError(f"Training args file not found: {path}") config = {} with open(path, "r", encoding="utf-8") as f: for line in f: line = line.strip() if not line or ":" not in line: continue key, value = line.split(":", 1) key = key.strip() value = value.strip() if value.startswith("[") and value.endswith("]"): try: config[key] = ast.literal_eval(value) except (ValueError, SyntaxError): config[key] = value elif value.isdigit(): config[key] = int(value) elif value.replace(".", "", 1).replace("e-", "", 1).replace("e", "", 1).isdigit(): config[key] = float(value) else: config[key] = value return config def _detect_label_suffix(data_dir: Path) -> str: """Detect whether this is a 2-param or 6-param dataset.""" if (data_dir / "train_labels_LH_2.npy").exists(): return "_2" elif (data_dir / "train_labels_LH.npy").exists(): return "" else: raise FileNotFoundError(f"No label files found in {data_dir}") def _detect_image_suffix(data_dir: Path) -> str: """Detect whether images use _6 suffix (6-param) or not.""" if (data_dir / "train_LH.npy").exists(): return "" elif (data_dir / "train_LH_6.npy").exists(): return "_6" else: raise FileNotFoundError(f"No image files found in {data_dir}") def load_label_stats(data_dir: Path) -> Tuple[np.ndarray, np.ndarray]: """Load mean and std from training labels (used for normalization).""" suffix = _detect_label_suffix(data_dir) labels_path = data_dir / f"train_labels_LH{suffix}.npy" labels = np.load(labels_path) mean, std = labels.mean(axis=0), labels.std(axis=0) std = np.where(std == 0, 1.0, std) # guard against zero-variance labels return mean, std def load_split(data_dir: Path, split: str) -> Tuple[np.ndarray, np.ndarray]: """Load images and labels for a given split.""" img_suffix = _detect_image_suffix(data_dir) label_suffix = _detect_label_suffix(data_dir) image_path = data_dir / f"{split}_LH{img_suffix}.npy" label_path = data_dir / f"{split}_labels_LH{label_suffix}.npy" if not image_path.exists(): raise FileNotFoundError(f"Image file not found: {image_path}") if not label_path.exists(): raise FileNotFoundError(f"Label file not found: {label_path}") images = np.load(image_path).astype(np.float32) labels = np.load(label_path).astype(np.float32) return images, labels def build_model(config: Dict, device: torch.device) -> ConditionalDiffusionModel: """Rebuild the exact same model architecture used during training.""" unet = ConditionalUNet( in_channels=1, out_channels=1, label_dim=int(config.get("label_dim", 6)), base_channels=int(config.get("base_channels", 64)), channel_multipliers=config.get("channel_multipliers", [1, 2, 4, 8]), attention_levels=config.get("attention_levels", [2, 3]), dropout=float(config.get("dropout", 0.1)), ) diffusion = GaussianDiffusion( timesteps=int(config.get("timesteps", 1500)), beta_start=float(config.get("beta_start", 1e-4)), beta_end=float(config.get("beta_end", 0.02)), schedule_type=config.get("schedule_type", "linear"), ) return ConditionalDiffusionModel(unet, diffusion).to(device) def load_checkpoint(model: ConditionalDiffusionModel, checkpoint_path: str, device: torch.device): """Load model weights from checkpoint.""" checkpoint = torch.load(checkpoint_path, map_location=device, weights_only=False) state_dict = checkpoint["model_state_dict"] if isinstance(checkpoint, dict) and "model_state_dict" in checkpoint else checkpoint # If EMA weights are available, use them (they are the better weights) if isinstance(checkpoint, dict) and "ema_shadow" in checkpoint: print("Loading EMA shadow weights from checkpoint") ema_shadow = checkpoint["ema_shadow"] current_state = model.state_dict() for name, param in ema_shadow.items(): if name in current_state: current_state[name] = param model.load_state_dict(current_state) else: model.load_state_dict(state_dict) model.eval() print(f"Loaded checkpoint: {checkpoint_path}") def PowerSpectrum(box: np.ndarray, N: int, dl: float) -> Tuple[np.ndarray, np.ndarray]: """Vectorized 2D power spectrum computation.""" FT_box = np.fft.fftn(box, norm="ortho") k = 2 * np.pi * np.fft.fftfreq(N, dl) dk_val = 2 * np.pi / (N * dl) # Vectorized: compute k magnitudes and bin indices for all pixels at once ki, kj = np.meshgrid(k, k, indexing='ij') kbar = np.sqrt(ki**2 + kj**2) n_bins = N // 2 # only bins up to Nyquist frequency t_idx = np.round(kbar / dk_val).astype(int) # Mask out modes beyond Nyquist to avoid bin contamination valid = t_idx < n_bins power = (FT_box * np.conj(FT_box)).real pk = np.zeros(n_bins) count = np.zeros(n_bins) np.add.at(pk, t_idx[valid], power[valid]) np.add.at(count, t_idx[valid], 1) pk /= np.where(count == 0, 1, count) pk *= dl**2 dk = np.arange(n_bins) * dk_val return dk, pk def calculate_pdf_batch(images: np.ndarray, log_nhi_min=14.0, log_nhi_max=22.0, n_bins=100): images_01 = np.clip(images, 0.0, 1.0) log_nhi_bins = np.linspace(log_nhi_min, log_nhi_max, n_bins) bin_centers = 0.5 * (log_nhi_bins[:-1] + log_nhi_bins[1:]) pdfs = [] for img in images_01: log_nhi_values = log_nhi_min + (log_nhi_max - log_nhi_min) * img.reshape(-1) hist, _ = np.histogram(log_nhi_values, bins=log_nhi_bins, density=True) pdfs.append(hist) pdf_array = np.stack(pdfs) return bin_centers, pdf_array.mean(axis=0), pdf_array.std(axis=0) def calculate_power_spectrum_batch(images: np.ndarray, box_size: float = 25.0): N = images.shape[-1] dl = box_size / N # Compute k-values once, then reuse for all images dk, _ = PowerSpectrum(images[0], N=N, dl=dl) power_spectra = [PowerSpectrum(img, N=N, dl=dl)[1] for img in images] power_array = np.stack(power_spectra) return dk, power_array.mean(axis=0), power_array.std(axis=0) def prepare_labels_for_model(labels: np.ndarray, mean: np.ndarray, std: np.ndarray) -> torch.Tensor: normalized = (labels - mean) / std return torch.from_numpy(normalized).float() def from_model_output(samples: torch.Tensor) -> np.ndarray: arrays = samples.cpu().numpy() return np.clip((arrays + 1.0) / 2.0, 0.0, 1.0)[:, 0, :, :] def plot_image_grid(generated, real, labels, output_path: Path, num_samples=8): num = min(num_samples, generated.shape[0]) fig, axes = plt.subplots(num, 2, figsize=(6, 3 * num)) if num == 1: axes = np.expand_dims(axes, axis=0) for i in range(num): label_str = ", ".join(f"{v:.3f}" for v in labels[i]) axes[i, 0].imshow(generated[i], origin="lower") axes[i, 0].set_title(f"Generated\n{label_str}") axes[i, 0].axis("off") axes[i, 1].imshow(real[i], origin="lower") axes[i, 1].set_title("Real") axes[i, 1].axis("off") plt.tight_layout() fig.savefig(output_path, dpi=200, bbox_inches="tight") plt.close(fig) def plot_mean_std(x, mean_real, std_real, mean_gen, std_gen, xlabel, ylabel, title, output_path: Path, yscale="linear"): fig, ax = plt.subplots(figsize=(10, 6)) ax.plot(x, mean_real, label="Real mean", color="tab:blue", linewidth=2) ax.plot(x, mean_gen, label="Generated mean", color="tab:orange", linewidth=2) ax.fill_between(x, mean_real - std_real, mean_real + std_real, color="tab:blue", alpha=0.15, label="Real +/-1s") ax.fill_between(x, mean_real - 3*std_real, mean_real + 3*std_real, color="tab:blue", alpha=0.05) ax.fill_between(x, mean_gen - std_gen, mean_gen + std_gen, color="tab:orange", alpha=0.15, label="Generated +/-1s") ax.fill_between(x, mean_gen - 3*std_gen, mean_gen + 3*std_gen, color="tab:orange", alpha=0.05) ax.set_xlabel(xlabel) ax.set_ylabel(ylabel) ax.set_title(title) ax.set_yscale(yscale) ax.legend() ax.grid(alpha=0.3) fig.tight_layout() fig.savefig(output_path, dpi=200, bbox_inches="tight") plt.close(fig) def main(): args = parse_args() torch.manual_seed(args.seed) np.random.seed(args.seed) output_dir = Path(args.output_dir) output_dir.mkdir(parents=True, exist_ok=True) # Load training config (prefer args.json next to the checkpoint run directory) if args.training_args is None: ckpt_path = Path(args.checkpoint).resolve() run_dir = ckpt_path.parent.parent for name in ("args.json", "args.txt"): candidate = run_dir / name if candidate.is_file(): args.training_args = str(candidate) print(f"Auto-detected training args: {args.training_args}") break if args.training_args is None: possible_json = list(_SCRIPT_DIR.glob("outputs_conditional_*/args.json")) possible_txt = list(_SCRIPT_DIR.glob("outputs_conditional_*/args.txt")) possible = possible_json + possible_txt if possible: args.training_args = str(max(possible, key=os.path.getctime)) print(f"Auto-detected training args (fallback): {args.training_args}") else: raise FileNotFoundError( "Please provide --training_args path to your training args.json or args.txt" ) config = load_training_config(args.training_args) device = torch.device("cuda" if torch.cuda.is_available() else "cpu") model = build_model(config, device) load_checkpoint(model, args.checkpoint, device) # Load data data_dir = Path(args.data_dir) images_split, labels_split = load_split(data_dir, args.split) label_mean, label_std = load_label_stats(data_dir) # Select random samples num_select = min(100, len(images_split)) indices = np.random.choice(len(images_split), num_select, replace=False) real_images = images_split[indices] original_labels = labels_split[indices] # Generate samples in batches batch_size = min(8, num_select) generated_list = [] print(f"Generating {num_select} samples (batch size = {batch_size})...") for i in range(0, num_select, batch_size): batch_labels = original_labels[i:i+batch_size] batch_labels_tensor = prepare_labels_for_model(batch_labels, label_mean, label_std).to(device) with torch.no_grad(): batch_gen = model.sample( labels=batch_labels_tensor, channels=1, height=real_images.shape[-2], width=real_images.shape[-1], device=device, progress=False, use_ddim=True, ddim_steps=args.ddim_steps, ) generated_list.append(from_model_output(batch_gen)) print(f" Batch {i//batch_size + 1}/{(num_select+batch_size-1)//batch_size} done") generated_images = np.concatenate(generated_list, axis=0) # Plots plot_image_grid(generated_images, real_images, original_labels, output_dir / "real_vs_generated.png", num_samples=args.num_samples) # PDF bin_centers, mean_pdf_real, std_pdf_real = calculate_pdf_batch(real_images) _, mean_pdf_gen, std_pdf_gen = calculate_pdf_batch(generated_images) plot_mean_std(bin_centers, mean_pdf_real, std_pdf_real, mean_pdf_gen, std_pdf_gen, "log N_HI [cm^-2]", "PDF", "Column Density PDF", output_dir / "pdf_mean_std.png") # Power Spectrum (skip k=0 DC component for log-scale plotting) dk, mean_pk_real, std_pk_real = calculate_power_spectrum_batch(real_images) _, mean_pk_gen, std_pk_gen = calculate_power_spectrum_batch(generated_images) plot_mean_std(dk[1:], mean_pk_real[1:], std_pk_real[1:], mean_pk_gen[1:], std_pk_gen[1:], "k [h/Mpc]", "P(k)", "Power Spectrum", output_dir / "power_spectrum_mean_std.png", yscale="log") # Save numerical results np.savez( output_dir / "evaluation_data.npz", indices=indices, labels_original=original_labels, bin_centers=bin_centers, mean_pdf_real=mean_pdf_real, std_pdf_real=std_pdf_real, mean_pdf_gen=mean_pdf_gen, std_pdf_gen=std_pdf_gen, dk=dk, mean_pk_real=mean_pk_real, std_pk_real=std_pk_real, mean_pk_gen=mean_pk_gen, std_pk_gen=std_pk_gen, ) print(f"\nEvaluation complete!") print(f" Plots saved to: {output_dir}") print(f" Numerical data saved to: {output_dir}/evaluation_data.npz") if __name__ == "__main__": main()