""" pca_3d.py - Generate 3D PCA visualizations from existing NPZ files. Finds all results/{model}/plots/{condition}/pca/ directories and creates corresponding results/{model}/plots/{condition}/pca_3d/ directories with 3D PCA plots computed from results/{model}/npz/vectors_{scale}.npz. Processes all models and all scales by default. Usage: python pca_3d.py """ import os import re import numpy as np import matplotlib matplotlib.use('Agg') import matplotlib.pyplot as plt from mpl_toolkits.mplot3d import Axes3D # noqa: F401 from sklearn.decomposition import PCA RESULTS_DIR = os.path.join(os.path.dirname(__file__), 'results') CATEGORY_ORDER = ['left', 'right', 'above', 'under', 'far', 'close'] GROUP_ORDER = ['horizontal', 'vertical', 'distance'] # Category colors match their group: horizontal=green, vertical=orange, distance=purple CAT_COLORS = { 'left': '#2ca02c', 'right': '#98df8a', # horizontal → green 'above': '#ff7f0e', 'under': '#ffbb78', # vertical → orange 'far': '#9467bd', 'close': '#c5b0d5', # distance → purple } GROUP_COLORS = { 'horizontal': '#2ca02c', # green 'vertical': '#ff7f0e', # orange 'distance': '#9467bd', # purple } def scatter3d(ax, xs, ys, zs, c, label, alpha=0.45, s=12, marker='o'): ax.scatter(xs, ys, zs, c=c, label=label, alpha=alpha, s=s, marker=marker) def plot_pca_3d(vectors_npz_path, scale, model_type, save_dir): """Generate 3-panel 3D PCA figure per layer and save to save_dir.""" data = np.load(vectors_npz_path, allow_pickle=True) layer_keys = [k for k in data.files if k.startswith('orig_L')] layers = sorted([int(k.replace('orig_L', '')) for k in layer_keys]) if not layers: print(f" [skip] No orig_L* keys found in {vectors_npz_path}") return os.makedirs(save_dir, exist_ok=True) for layer in layers: orig = data.get(f'orig_L{layer}') swap = data.get(f'swap_L{layer}') labels = data.get(f'labels_L{layer}') deltas = data.get(f'delta_L{layer}') cats = data.get(f'categories_L{layer}') groups = data.get(f'groups_L{layer}') if orig is None or swap is None: continue # ── Subplot 1: embeddings (orig + swap) ────────────────────────────── pca_emb = PCA(n_components=3) all_vecs = np.vstack([orig, swap]) all_proj = pca_emb.fit_transform(all_vecs) orig_proj = all_proj[:len(orig)] swap_proj = all_proj[len(orig):] ev1 = pca_emb.explained_variance_ratio_ # ── Subplot 2/3: delta vectors ──────────────────────────────────────── has_delta = (deltas is not None and len(deltas) >= 3) if has_delta: pca_d = PCA(n_components=3) delta_proj = pca_d.fit_transform(deltas) ev2 = pca_d.explained_variance_ratio_ else: delta_proj = None ev2 = None fig = plt.figure(figsize=(24, 8)) # ── Panel 1 ─────────────────────────────────────────────────────────── ax1 = fig.add_subplot(131, projection='3d') for cat in CATEGORY_ORDER: mask = np.array([str(l) == cat for l in labels]) if not mask.any(): continue c = CAT_COLORS.get(cat, 'gray') scatter3d(ax1, orig_proj[mask, 0], orig_proj[mask, 1], orig_proj[mask, 2], c=c, label=f'{cat} (orig)', marker='o') scatter3d(ax1, swap_proj[mask, 0], swap_proj[mask, 1], swap_proj[mask, 2], c=c, label=f'{cat} (swap)', marker='^') ax1.set_title('Embeddings by Category\n(o=orig, ^=swap)', fontsize=10) ax1.set_xlabel(f'PC1 ({ev1[0]:.1%})', fontsize=8) ax1.set_ylabel(f'PC2 ({ev1[1]:.1%})', fontsize=8) ax1.set_zlabel(f'PC3 ({ev1[2]:.1%})', fontsize=8) ax1.legend(fontsize=6, ncol=2, loc='upper left') # ── Panel 2 ─────────────────────────────────────────────────────────── ax2 = fig.add_subplot(132, projection='3d') if has_delta and groups is not None: for group in GROUP_ORDER: mask = np.array([str(g) == group for g in groups]) if not mask.any(): continue scatter3d(ax2, delta_proj[mask, 0], delta_proj[mask, 1], delta_proj[mask, 2], c=GROUP_COLORS.get(group, 'gray'), label=group) ax2.set_title('Delta Vectors by Group', fontsize=10) ax2.set_xlabel(f'PC1 ({ev2[0]:.1%})', fontsize=8) ax2.set_ylabel(f'PC2 ({ev2[1]:.1%})', fontsize=8) ax2.set_zlabel(f'PC3 ({ev2[2]:.1%})', fontsize=8) ax2.legend(fontsize=8) else: ax2.set_title('Delta Vectors by Group\n(no data)', fontsize=10) # ── Panel 3 ─────────────────────────────────────────────────────────── ax3 = fig.add_subplot(133, projection='3d') if has_delta and cats is not None: for cat in CATEGORY_ORDER: mask = np.array([str(c) == cat for c in cats]) if not mask.any(): continue scatter3d(ax3, delta_proj[mask, 0], delta_proj[mask, 1], delta_proj[mask, 2], c=CAT_COLORS.get(cat, 'gray'), label=cat) ax3.set_title('Delta Vectors by Category', fontsize=10) ax3.set_xlabel(f'PC1 ({ev2[0]:.1%})', fontsize=8) ax3.set_ylabel(f'PC2 ({ev2[1]:.1%})', fontsize=8) ax3.set_zlabel(f'PC3 ({ev2[2]:.1%})', fontsize=8) ax3.legend(fontsize=7, ncol=2) else: ax3.set_title('Delta Vectors by Category\n(no data)', fontsize=10) fig.suptitle(f'{model_type.upper()} ({scale}) - Layer {layer} - 3D PCA', fontweight='bold') plt.tight_layout() out_path = os.path.join(save_dir, f'pca_{scale}_L{layer}.png') plt.savefig(out_path, dpi=200, bbox_inches='tight') plt.close() print(f" Saved {out_path}") def scale_from_npz_name(name): """'vectors_80k.npz' -> '80k'""" m = re.match(r'vectors_(.+)\.npz$', name) return m.group(1) if m else None def main(): if not os.path.isdir(RESULTS_DIR): print(f"Results directory not found: {RESULTS_DIR}") return for model in sorted(os.listdir(RESULTS_DIR)): model_dir = os.path.join(RESULTS_DIR, model) if not os.path.isdir(model_dir): continue plots_dir = os.path.join(model_dir, 'plots') npz_dir = os.path.join(model_dir, 'npz') if not os.path.isdir(plots_dir): print(f"[{model}] no plots/ dir, skipping") continue if not os.path.isdir(npz_dir): print(f"[{model}] no npz/ dir, skipping") continue npz_files = sorted( f for f in os.listdir(npz_dir) if f.startswith('vectors_') and f.endswith('.npz') ) if not npz_files: print(f"[{model}] no vectors_*.npz files, skipping") continue # Find all pca/ dirs under plots/ (handles all/ , all_with_validity/ , etc.) pca_dirs = [] for dirpath, dirnames, _ in os.walk(plots_dir): if os.path.basename(dirpath) == 'pca': pca_dirs.append(dirpath) if not pca_dirs: print(f"[{model}] no pca/ dirs found under plots/, skipping") continue for npz_file in npz_files: scale = scale_from_npz_name(npz_file) if scale is None: continue npz_path = os.path.join(npz_dir, npz_file) for pca_dir in pca_dirs: parent = os.path.dirname(pca_dir) # e.g. plots/all pca_3d_dir = os.path.join(parent, 'pca_3d') print(f"[{model}] scale={scale} -> {pca_3d_dir}") plot_pca_3d(npz_path, scale, model, pca_3d_dir) if __name__ == '__main__': main()