import torch import torch.nn as nn import pandas as pd import numpy as np import matplotlib.pyplot as plt from sklearn.decomposition import PCA import os import sys import json # Import model sys.path.append(os.path.join(os.path.dirname(__file__), '..', 'src')) from model import TaxonomyAwareESM RANK_NAMES = { 0: "Superkingdom", 1: "Phylum", 2: "Class", 3: "Order", 4: "Family", 5: "Genus", 6: "Species" } TARGET_SPECIES = { "Homo sapiens": 9606, "Pongo abelii": 9601, "Hylobates muelleri": 9588 } def load_species_vectors(vector_path): vectors = {} print(f"Loading species vectors from {vector_path}...") with open(vector_path, 'r') as f: for line in f: parts = line.strip().split('\t') if len(parts) >= 2: tax_id = int(parts[0]) vec = json.loads(parts[1]) vectors[tax_id] = vec return vectors from adjustText import adjust_text def visualize_embeddings(model_path, vector_path, output_dir): print("Visualizing Taxonomy Embeddings using PCA...") os.makedirs(output_dir, exist_ok=True) # 1. Load Model Weights try: checkpoint = torch.load(model_path, map_location='cpu') state_dict = checkpoint['model_state_dict'] if 'model_state_dict' in checkpoint else checkpoint except Exception as e: print(f"Error loading model: {e}") return # 2. Load Species Vectors (to find indices for targets) try: species_vectors = load_species_vectors(vector_path) except FileNotFoundError: print(f"Error: Vector file not found at {vector_path}") return # Verify targets exist target_indices = {} # Name -> [idx_0, idx_1, ... idx_6] for name, tax_id in TARGET_SPECIES.items(): if tax_id in species_vectors: target_indices[name] = species_vectors[tax_id] else: print(f"Warning: TaxID {tax_id} ({name}) not found in species vectors.") # 3. Visualize per Rank for rank_idx in range(7): key = f"tax_embeddings.{rank_idx}.weight" if key not in state_dict: print(f"Missing weight for rank {rank_idx}") continue weight = state_dict[key].numpy() # PCA pca = PCA(n_components=2) transformed = pca.fit_transform(weight) # Plot plt.figure(figsize=(15, 15)) # Increased size # Background: All points (light grey) plt.scatter(transformed[:, 0], transformed[:, 1], c='lightgrey', alpha=0.3, s=20, label='Others') # lighter alpha, slightly larger s # Highlight Targets with Manual Positioning colors = ['red', 'blue', 'green'] # Manual offsets/alignments for the 3 specific targets in order: # 1. Homo sapiens -> Top Right # 2. Pongo abelii -> Top Left # 3. Hylobates muelleri -> Bottom Right manual_positions = [ {'xytext': (20, 20), 'ha': 'left', 'va': 'bottom'}, # Top-Right {'xytext': (-20, 20), 'ha': 'right', 'va': 'bottom'}, # Top-Left {'xytext': (20, -20), 'ha': 'left', 'va': 'top'} # Bottom-Right ] for i, (name, indices) in enumerate(target_indices.items()): # indices is [v0, v1, ... v6] vocab_idx = indices[rank_idx] if vocab_idx < len(transformed): x, y = transformed[vocab_idx] # Marker plt.scatter(x, y, c=colors[i % len(colors)], s=300, edgecolor='black', zorder=10, marker='*') # Annotation (Manual Position) pos = manual_positions[i % len(manual_positions)] plt.annotate(name, xy=(x, y), xytext=pos['xytext'], textcoords='offset points', ha=pos['ha'], va=pos['va'], fontsize=16, fontweight='bold', color='black', arrowprops=dict(arrowstyle='->', color='black', lw=1.5)) else: print(f"Index {vocab_idx} out of bounds for rank {rank_idx}") plt.title(f"Rank {rank_idx}: {RANK_NAMES.get(rank_idx, 'Unknown')} Embedding Space", fontsize=20) plt.xlabel("PC1", fontsize=14) plt.ylabel("PC2", fontsize=14) plt.tick_params(axis='both', which='major', labelsize=12) plt.grid(True, alpha=0.3) # No automatic adjust_text needed out_file = os.path.join(output_dir, f"rank_{rank_idx}_{RANK_NAMES[rank_idx]}_pca.png") plt.savefig(out_file, dpi=300, bbox_inches='tight') # High DPI plt.close() print(f"Saved plot to {out_file}") if __name__ == "__main__": import argparse parser = argparse.ArgumentParser() parser.add_argument("--model_path", type=str, required=True) parser.add_argument("--vector_path", type=str, default="data/species_vectors.tsv") parser.add_argument("--output_dir", type=str, default="outputs") args = parser.parse_args() visualize_embeddings(args.model_path, args.vector_path, args.output_dir)