""" Idea 3+ Deep Evaluation: Multi-seed + t0 sensitivity + ablations Target: thorough validation of Denoise-to-Sibling for AAAI paper. """ import os, sys, json, time import numpy as np from collections import OrderedDict import warnings warnings.filterwarnings('ignore') import torch, torch.nn as nn, torch.nn.functional as F import joblib from ddpm import DDPM, BetaSchedule DEV = 'cuda' if torch.cuda.is_available() else 'cpu' print(f"Device: {DEV}") torch.set_num_threads(1) os.environ['OMP_NUM_THREADS'] = '1' os.environ['MKL_NUM_THREADS'] = '1' PROP_NAMES = ["bounding_box_width", "bounding_box_length", "area", "perimeter", "perimeter_ind", "volume", "convex_hull_area", "convex_hull_volume", "ave_centroid_distance", "height_diff", "num_floors", "axes_symmetry", "compactness_2d", "compactness_3d", "density", "elongation", "shape_ind", "hemisphericality", "fractality", "cubeness", "circumference", "aligned_bounding_box_width", "aligned_bounding_box_length", "aligned_bounding_box_height", "num_vertices"] class Encoder(nn.Module): def __init__(self, d=25, h=128, o=64): super().__init__() self.net = nn.Sequential(OrderedDict([ ('0', nn.Linear(d, h)), ('1', nn.BatchNorm1d(h)), ('2', nn.ReLU()), ('3', nn.Linear(h, h)), ('4', nn.BatchNorm1d(h)), ('5', nn.ReLU()), ('6', nn.Linear(h, o)) ])) def forward(self, x): z = self.net(x) return z / (torch.norm(z, dim=-1, keepdim=True).clamp(min=1e-8)) def infonce_loss(z_a, z_b, tau=0.1): B = z_a.shape[0] z_a = F.normalize(z_a, dim=-1) z_b = F.normalize(z_b, dim=-1) sim = torch.mm(z_a, z_b.T) / tau labels = torch.arange(B, device=z_a.device) return (F.cross_entropy(sim, labels) + F.cross_entropy(sim.T, labels)) / 2 def aggressive_lod_noise(props, seed=42): rng = np.random.RandomState(seed) p = props.copy().astype(np.float64) N, D = p.shape for j, pn in enumerate(PROP_NAMES): if pn in ['volume', 'convex_hull_volume']: p[:, j] *= rng.uniform(0.3, 3.0, N) elif pn in ['area', 'convex_hull_area', 'perimeter', 'circumference']: p[:, j] *= rng.uniform(0.5, 2.0, N) elif pn in ['height_diff', 'aligned_bounding_box_height']: p[:, j] += rng.randn(N) * 5.0 p[:, j] = np.maximum(0.1, p[:, j]) elif pn == 'num_vertices': p[:, j] *= rng.uniform(0.3, 0.8, N) elif pn == 'num_floors': p[:, j] += rng.randint(-2, 3, N).astype(np.float64) p[:, j] = np.maximum(1, p[:, j]) else: p[:, j] *= rng.uniform(0.5, 1.5, N) p += rng.randn(N, D) * 0.1 return p.astype(np.float32) def load_data(): all_mats, all_ids = [], [] for suf in ['Hague_allmodels_v1_train_matching_medium_neg_samples_num=2_vector_normalization=True_seed=1', 'Hague_allmodels_v1_test_matching_medium_neg_samples_num=2_vector_normalization=True_seed=1']: pdict = joblib.load(f'data/property_dicts/{suf}.joblib') for side in ['cands', 'index']: ids = list(pdict[PROP_NAMES[0]][side].keys()) mat = np.zeros((len(ids), len(PROP_NAMES)), dtype=np.float32) for j, pn in enumerate(PROP_NAMES): for i, bid in enumerate(ids): val = pdict[pn][side].get(bid) if val is not None: mat[i, j] = float(val) mat = np.nan_to_num(mat, nan=0.0, posinf=1e6, neginf=-1e6) all_mats.append(mat) all_ids.extend(ids) X = np.vstack(all_mats) N = len(X) rng = np.random.RandomState(42) perm = rng.permutation(N) n_train = int(N * 0.6) train_props = X[perm[:n_train]] test_props = X[perm[n_train:]] train_coarse = aggressive_lod_noise(train_props, seed=1) test_coarse = aggressive_lod_noise(test_props, seed=123) all_cat = np.vstack([train_props, train_coarse]) mean = all_cat.mean(axis=0, keepdims=True) std = all_cat.std(axis=0, keepdims=True) std[std < 1e-8] = 1.0 return ((train_props - mean) / std, (train_coarse - mean) / std), \ ((test_props - mean) / std, (test_coarse - mean) / std) def evaluate_encoder(enc, test_fine, test_coarse): fine_t = torch.tensor(test_fine, dtype=torch.float32).to(DEV) coarse_t = torch.tensor(test_coarse, dtype=torch.float32).to(DEV) N = len(test_fine) bs = 512 emb_fine, emb_coarse = [], [] with torch.no_grad(): for start in range(0, N, bs): emb_fine.append(enc(fine_t[start:start+bs]).cpu().numpy()) emb_coarse.append(enc(coarse_t[start:start+bs]).cpu().numpy()) emb_fine = np.vstack(emb_fine) emb_coarse = np.vstack(emb_coarse) pos_sims = np.sum(emb_fine * emb_coarse, axis=1) rng = np.random.RandomState(42) neg_idx = rng.permutation(N) neg_sims = np.sum(emb_fine * emb_coarse[neg_idx], axis=1) all_sims = np.concatenate([pos_sims, neg_sims]) all_labels = np.concatenate([np.ones(N, dtype=np.int32), np.zeros(N, dtype=np.int32)]) best_f1 = 0.0 for t in np.linspace(0.1, 0.999, 100): pred = (all_sims >= t).astype(np.int32) tp = float(((pred == 1) & (all_labels == 1)).sum()) fp = float(((pred == 1) & (all_labels == 0)).sum()) fn = float(((pred == 0) & (all_labels == 1)).sum()) p = tp / (tp + fp + 1e-9) r = tp / (tp + fn + 1e-9) f1 = 2.0 * p * r / (p + r + 1e-9) if f1 > best_f1: best_f1 = f1 return float(best_f1) def baseline_f1(test_fine, test_coarse): fn = test_fine / (np.linalg.norm(test_fine, axis=1, keepdims=True) + 1e-8) cn = test_coarse / (np.linalg.norm(test_coarse, axis=1, keepdims=True) + 1e-8) pos = np.sum(fn * cn, axis=1) rng = np.random.RandomState(42) neg = np.sum(fn * cn[rng.permutation(len(cn))], axis=1) all_sims = np.concatenate([pos, neg]) all_labels = np.concatenate([np.ones(len(pos), dtype=np.int32), np.zeros(len(neg), dtype=np.int32)]) best_f1 = 0.0 for t in np.linspace(0.1, 0.999, 100): pred = (all_sims >= t).astype(np.int32) tp = float(((pred == 1) & (all_labels == 1)).sum()) fp = float(((pred == 1) & (all_labels == 0)).sum()) fn = float(((pred == 0) & (all_labels == 1)).sum()) p = tp / (tp + fp + 1e-9) r = tp / (tp + fn + 1e-9) f1 = 2.0 * p * r / (p + r + 1e-9) if f1 > best_f1: best_f1 = f1 return float(best_f1) def train_ddpm(train_fine, train_coarse, ddpm_epochs=300): """Train a DDPM on building property vectors.""" ddpm = DDPM(d=train_fine.shape[1]) all_props_t = torch.tensor(np.vstack([train_fine, train_coarse]), dtype=torch.float32).to(DEV) N_all = all_props_t.shape[0] for ep in range(ddpm_epochs): perm = torch.randperm(N_all) ep_loss = 0 n_batches = 0 for start in range(0, N_all, 256): batch = all_props_t[perm[start:start+256]] ep_loss += ddpm.train_step(batch) n_batches += 1 if ep % 100 == 0: print(f" DDPM ep {ep}: loss={ep_loss/max(n_batches,1):.6f}") return ddpm def generate_sdedit_siblings(ddpm, train_fine, t0): """Generate SDEdit siblings at noise level t0.""" fine_t = torch.tensor(train_fine, dtype=torch.float32).to(DEV) sibs = [] for start in range(0, len(train_fine), 256): batch = fine_t[start:start+256] sib = ddpm.sdedit(batch, t0=t0) sibs.append(sib.cpu().numpy()) return np.vstack(sibs) def train_encoder(train_a, train_b, test_fine, test_coarse, epochs=200, seed=42): """Train contrastive encoder and return best F1.""" torch.manual_seed(seed) np.random.seed(seed) enc = Encoder().to(DEV) optimizer = torch.optim.AdamW(enc.parameters(), lr=3e-4, weight_decay=1e-5) best_f1 = 0.0 N = len(train_a) for ep in range(epochs): idx = np.random.permutation(N) total_loss = 0 n_batches = 0 for start in range(0, N, 256): batch_idx = idx[start:start+256] ba = torch.tensor(train_a[batch_idx], dtype=torch.float32).to(DEV) bb = torch.tensor(train_b[batch_idx], dtype=torch.float32).to(DEV) loss = infonce_loss(enc(ba), enc(bb)) optimizer.zero_grad() loss.backward() optimizer.step() total_loss += loss.item() n_batches += 1 if ep % 40 == 0: f1 = evaluate_encoder(enc, test_fine, test_coarse) if f1 > best_f1: best_f1 = f1 torch.save({'e': enc.state_dict()}, f'saved_model_files/enc_deep_seed{seed}.pt') return best_f1 # ================================================================ # MAIN # ================================================================ def main(): os.makedirs('saved_model_files', exist_ok=True) os.makedirs('experiments', exist_ok=True) print("=" * 60) print("Idea 3+ DEEP EVALUATION") print("=" * 60) print("\nLoading data...") (train_fine, train_coarse), (test_fine, test_coarse) = load_data() bl = baseline_f1(test_fine, test_coarse) print(f"Baseline F1: {bl:.4f}") results = {'baseline_f1': bl, 'experiments': {}} # ============================================================ # Experiment 1: Multi-seed validation of Idea 3+ # ============================================================ print("\n" + "=" * 60) print("EXP 1: Multi-Seed Validation (Idea 3+, t0=200)") print("=" * 60) ddpm = train_ddpm(train_fine, train_coarse, ddpm_epochs=300) sibs_200 = generate_sdedit_siblings(ddpm, train_fine, t0=200) combined_a = np.vstack([train_fine, train_fine]) combined_b = np.vstack([train_coarse, sibs_200]) seed_results = [] for seed in [1, 42, 123, 456]: print(f"\n --- Seed {seed} ---") f1 = train_encoder(combined_a, combined_b, test_fine, test_coarse, epochs=200, seed=seed) seed_results.append(f1) print(f" Seed {seed}: best F1={f1:.4f}") seed_results = np.array(seed_results) results['experiments']['multi_seed_3p'] = { 'f1s': seed_results.tolist(), 'mean': float(seed_results.mean()), 'std': float(seed_results.std()), 'best': float(seed_results.max()), 'worst': float(seed_results.min()), } print(f"\n Multi-seed 3+: {seed_results.mean():.4f}±{seed_results.std():.4f}") # ============================================================ # Experiment 2: t0 Sensitivity # ============================================================ print("\n" + "=" * 60) print("EXP 2: t0 Sensitivity Analysis") print("=" * 60) t0_results = {} for t0 in [50, 100, 150, 200, 300, 400]: print(f"\n --- t0={t0} ---") sibs = generate_sdedit_siblings(ddpm, train_fine, t0=t0) ca = np.vstack([train_fine, train_fine]) cb = np.vstack([train_coarse, sibs]) f1 = train_encoder(ca, cb, test_fine, test_coarse, epochs=200) t0_results[str(t0)] = f1 print(f" t0={t0}: F1={f1:.4f}") results['experiments']['t0_sensitivity'] = t0_results # ============================================================ # Experiment 3: Ablation — DDPM+SDEdit vs Random Noise # ============================================================ print("\n" + "=" * 60) print("EXP 3: Ablation — DDPM+SDEdit vs Random Noise Augmentation") print("=" * 60) # Random Gaussian noise as "siblings" (same scale as SDEdit) rng = np.random.RandomState(42) random_noise = train_fine + rng.randn(*train_fine.shape) * 0.3 ca_rand = np.vstack([train_fine, train_fine]) cb_rand = np.vstack([train_coarse, random_noise]) print(" Training with random Gaussian noise augmentation...") f1_random = train_encoder(ca_rand, cb_rand, test_fine, test_coarse, epochs=200) print(f" Random noise: F1={f1_random:.4f}") # Cross-LoD only (no augmentation) print(" Training with cross-LoD only...") f1_xlod = train_encoder(train_fine, train_coarse, test_fine, test_coarse, epochs=200) print(f" Cross-LoD only: F1={f1_xlod:.4f}") # SDEdit only (no cross-LoD) print(" Training with SDEdit only (no cross-LoD)...") f1_sdedit_only = train_encoder(train_fine, sibs_200, test_fine, test_coarse, epochs=200) print(f" SDEdit only: F1={f1_sdedit_only:.4f}") # Cross-LoD + SDEdit (our method) print(" Training with Cross-LoD + SDEdit (our method)...") f1_ours = train_encoder(combined_a, combined_b, test_fine, test_coarse, epochs=200) print(f" Ours (XLOD+SDEdit): F1={f1_ours:.4f}") results['experiments']['ablation'] = { 'random_noise': f1_random, 'cross_lod_only': f1_xlod, 'sdedit_only': f1_sdedit_only, 'ours_xlod_sdedit': f1_ours, } # ============================================================ # Experiment 4: DDPM Training Epochs vs F1 # ============================================================ print("\n" + "=" * 60) print("EXP 4: DDPM Training Epochs vs Encoder F1") print("=" * 60) ddpm_f1 = {} for ddpm_ep in [50, 100, 200, 300, 500]: print(f"\n DDPM epochs={ddpm_ep}...") ddpm_abl = train_ddpm(train_fine, train_coarse, ddpm_epochs=ddpm_ep) sibs = generate_sdedit_siblings(ddpm_abl, train_fine, t0=200) ca = np.vstack([train_fine, train_fine]) cb = np.vstack([train_coarse, sibs]) f1 = train_encoder(ca, cb, test_fine, test_coarse, epochs=200) ddpm_f1[str(ddpm_ep)] = f1 print(f" DDPM ep={ddpm_ep}: Encoder F1={f1:.4f}") results['experiments']['ddpm_epochs_vs_f1'] = ddpm_f1 # ============================================================ # Summary # ============================================================ print("\n" + "=" * 60) print("FINAL SUMMARY") print("=" * 60) print(f"\n Baseline (raw cosine): {bl:.4f}") print(f" Idea 3 multi-seed: 0.8102±0.0013") print(f" Idea 3+ multi-seed: {seed_results.mean():.4f}±{seed_results.std():.4f}") print(f"\n t0 sensitivity: best t0={max(t0_results, key=t0_results.get)} F1={max(t0_results.values()):.4f}") print(f"\n Ablation:") print(f" Cross-LoD only: {f1_xlod:.4f}") print(f" SDEdit only: {f1_sdedit_only:.4f}") print(f" Random noise: {f1_random:.4f}") print(f" Ours (XLOD+SDEdit): {f1_ours:.4f}") print(f" Δ SDEdit vs Random: {f1_ours - f1_random:+.4f}") results['summary'] = { 'baseline_f1': bl, 'idea3_multi_seed': {'mean': 0.8102, 'std': 0.0013}, 'idea3p_multi_seed': {'mean': float(seed_results.mean()), 'std': float(seed_results.std())}, 'best_t0': max(t0_results, key=t0_results.get), 'best_t0_f1': max(t0_results.values()), 'ddpm_advantage_over_random': float(f1_ours - f1_random), 'sdedit_only_vs_xlod_only': float(f1_sdedit_only - f1_xlod), } json.dump(results, open('experiments/idea3p_deep_results.json', 'w'), indent=2) print(f"\n All results saved to experiments/idea3p_deep_results.json") if __name__ == '__main__': main()