""" Example ML/AI Use Case: CNN Classifier for Disease Detection Demonstrates: - Data loading and preprocessing - Temporal split application - Model definition (HeightWiseCNN) - Training loop with early stopping - Evaluation (ROC AUC, confusion matrix) """ import os import json import numpy as np import pandas as pd from pathlib import Path from sklearn.metrics import roc_auc_score, confusion_matrix, classification_report from sklearn.preprocessing import PolynomialFeatures import matplotlib.pyplot as plt import seaborn as sns import torch import torch.nn as nn import torch.optim as optim import torch.nn.functional as F from torch.utils.data import Dataset, DataLoader from torchvision import transforms # ============================================ # CONFIGURATION # ============================================ METADATA_PATH = Path("../metadata.csv") DATA_DIR = Path("../data") MANIFEST_PATH = DATA_DIR / "manifest.json" TARGET_DISEASE = 'Z00' # Lung cancer TEST_WEEKS = {9, 10, 11} # Weeks 8-10 for testing EPOCHS = 20 BATCH_SIZE = 16 LEARNING_RATE = 1e-3 DEVICE = torch.device("cuda" if torch.cuda.is_available() else "cpu") # ============================================ # MODEL DEFINITION # ============================================ class HeightWiseCNN(nn.Module): """ Height-wise CNN for multivariate time series classification. Treats each channel as a separate "height" dimension and applies 2D convolutions across the temporal dimension. """ def __init__(self, num_classes=2, input_height=374, input_width=337): super().__init__() self.conv1 = nn.Conv2d(1, 32, kernel_size=(input_height, 15), padding=(0, 2)) self.pool = nn.MaxPool2d(kernel_size=(1, 2)) self.conv2 = nn.Conv2d(32, 64, kernel_size=(1, 10), padding='same') self.conv3 = nn.Conv2d(64, 128, kernel_size=(1, 20), padding='same') self.head_pool = nn.AdaptiveMaxPool2d((1, 1)) self.dropout = nn.Dropout(0.1) self.fc1 = nn.Linear(128, 256) self.fc2 = nn.Linear(256, num_classes) def forward(self, x): x = F.relu(self.conv1(x)) x = self.pool(x) x = F.relu(self.conv2(x)) x = self.pool(x) x = F.relu(self.conv3(x)) x = self.head_pool(x) x = x.flatten(1) x = self.dropout(x) x = F.relu(self.fc1(x)) x = self.dropout(x) return self.fc2(x) # ============================================ # DATASET CLASS # ============================================ class CustomDataset(Dataset): def __init__(self, data, labels, transform=None): self.data = data self.labels = labels self.transform = transform def __len__(self): return len(self.data) def __getitem__(self, idx): sample = self.data[idx] label = int(self.labels[idx]) if self.transform: sample = self.transform(sample) return sample, label # ============================================ # DATA LOADING FUNCTIONS # ============================================ def load_patient_data(patient_id): """Load a single patient's JSON file.""" with open(MANIFEST_PATH, 'r') as f: manifest = json.load(f) entry = next((e for e in manifest['files'] if e['patient_id'] == patient_id), None) if entry is None: return None file_path = DATA_DIR / entry['file'] with open(file_path, 'r') as f: return json.load(f) def extract_enose_signals(patient_data, channels=None): """Extract eNose signals from patient data.""" if channels is None: channels = [f'R{i}' for i in range(1, 18)] # R1-R17 for sensor in patient_data['sensors']: if sensor['id'] == 'enose': signals = [] for channel in sensor['channels']: if channel['id'] in channels: signals.append(np.array(channel['samples'])) return np.array(signals).T # shape: (time_steps, channels) return None def preprocess_signal(signal): """ Preprocess a single signal: 1. Wavelet smoothing (db4, level 4) 2. Min-max scaling """ import pywt from sklearn.preprocessing import minmax_scale coeffs = pywt.wavedec(signal, 'db4', level=4) coeffs[1:] = [np.zeros_like(c) for c in coeffs[1:]] smoothed = pywt.waverec(coeffs, 'db4') return minmax_scale(smoothed, axis=0) def load_and_preprocess_data(): """Load full dataset and preprocess eNose signals.""" metadata = pd.read_csv(METADATA_PATH) X = [] y = [] patient_ids = [] # Stable channels (based on manufacturer recommendation) channels = ['R2', 'R3', 'R5', 'R8', 'R11', 'R12', 'R13', 'R14', 'R15', 'R16', 'R17'] poly = PolynomialFeatures(degree=3, include_bias=False, interaction_only=False) with open(MANIFEST_PATH, 'r') as f: manifest = json.load(f) poly = PolynomialFeatures(degree=3, include_bias=False, interaction_only=False) dummy = np.random.random((11,337)) poly.fit_transform(dummy.T).T # (11 + C(11,2) + 11 = 77, 358) for entry in manifest['files']: patient_id = entry['patient_id'] row = metadata[metadata['Patient_id'] == patient_id].iloc[0] # Binary label: 1 if target disease, else 0 label = 1 if row['Diagnosis'] == TARGET_DISEASE else 0 patient_data = load_patient_data(patient_id) if patient_data is None: continue # Extract raw signals raw_signals = [] for sensor in patient_data['sensors']: if sensor['id'] == 'enose': for channel in sensor['channels']: if channel['id'] in channels: raw_signals.append(np.array(channel['samples'])) break if len(raw_signals) == 0: continue # Preprocess each channel processed_signals = [] for sig in raw_signals: # Clip to active measurement period (20-450 samples) clipped = sig[20:450] processed = preprocess_signal(clipped) processed_signals.append(processed) # Stack signals: shape (channels, time_steps) processed_signals = np.array(processed_signals)[:11,:337] if processed_signals.shape[0]*processed_signals.shape[1]==11*337: poly_features = poly.transform(processed_signals.T).T # (11 + C(11,2) + 11 = 77, 358)\n", extended_features = np.vstack([processed_signals, poly_features]) X.append(extended_features) y.append(label) patient_ids.append(patient_id) y = np.array(y) patient_ids = np.array(patient_ids) X = np.array(X, dtype=np.float32) return X, y, patient_ids def get_temporal_split(metadata, patient_ids): """Get train/test split based on weeks.""" train_mask = np.zeros(len(patient_ids), dtype=bool) test_mask = np.zeros(len(patient_ids), dtype=bool) for i, pid in enumerate(patient_ids): row = metadata[metadata['Patient_id'] == pid].iloc[0] week = row['Week'] if week in TEST_WEEKS: test_mask[i] = True else: train_mask[i] = True return train_mask, test_mask # ============================================ # TRAINING FUNCTIONS # ============================================ def roc_auc_score_torch(outputs, labels): """Compute ROC AUC from model outputs and labels.""" probs = F.softmax(outputs, dim=1)[:, 1] return roc_auc_score(labels.cpu().numpy(), probs.detach().cpu().numpy()) def train_epoch(model, loader, optimizer, criterion, device): """Train for one epoch.""" model.train() total_loss = 0.0 total_count = 0 all_outputs = [] all_targets = [] for data, target in loader: data, target = data.to(device), target.to(device, dtype=torch.long) optimizer.zero_grad() output = model(data) loss = criterion(output, target) loss.backward() optimizer.step() bs = data.size(0) total_loss += loss.item() * bs total_count += bs all_outputs.append(output) all_targets.append(target) all_outputs = torch.cat(all_outputs) all_targets = torch.cat(all_targets) avg_loss = total_loss / total_count avg_auc = roc_auc_score_torch(all_outputs, all_targets) return avg_loss, avg_auc def validate(model, loader, criterion, device): """Validate the model.""" model.eval() total_loss = 0.0 total_count = 0 all_outputs = [] all_targets = [] with torch.no_grad(): for data, target in loader: data, target = data.to(device), target.to(device, dtype=torch.long) output = model(data) loss = criterion(output, target) bs = data.size(0) total_loss += loss.item() * bs total_count += bs all_outputs.append(output) all_targets.append(target) all_outputs = torch.cat(all_outputs) all_targets = torch.cat(all_targets) avg_loss = total_loss / total_count avg_auc = roc_auc_score_torch(all_outputs, all_targets) return avg_loss, avg_auc def main(): print("=" * 60) print("HELTH DETECTION WITH HEIGHT-WISE CNN") print(f"Target: {TARGET_DISEASE}") print(f"Test weeks: {TEST_WEEKS}") print(f"Device: {DEVICE}") print("=" * 60) # 1. Load and preprocess data print("\n1. Loading and preprocessing data...") X, y, patient_ids = load_and_preprocess_data() metadata = pd.read_csv(METADATA_PATH) print(f" Total samples: {len(X)}") print(f" Positive ({TARGET_DISEASE}): {sum(y)}") print(f" Negative: {len(y) - sum(y)}") # 2. Temporal split print("\n2. Applying temporal split...") train_mask, test_mask = get_temporal_split(metadata, patient_ids) print(f" Train samples: {train_mask.sum()}") print(f" Test samples: {test_mask.sum()}") X_train = X[train_mask] y_train = y[train_mask] X_test = X[test_mask] y_test = y[test_mask] # 3. Create datasets and dataloaders print("\n3. Creating datasets...") transform = transforms.Compose([ transforms.ToTensor(), # (H,W) -> (1,H,W) ]) train_dataset = CustomDataset(X_train, y_train, transform=transform) test_dataset = CustomDataset(X_test, y_test, transform=transform) train_loader = DataLoader(train_dataset, batch_size=BATCH_SIZE, shuffle=True) test_loader = DataLoader(test_dataset, batch_size=BATCH_SIZE, shuffle=False) # 4. Initialize model print("\n4. Initializing model...") model = HeightWiseCNN(num_classes=2).to(DEVICE) criterion = nn.CrossEntropyLoss() optimizer = optim.Adam(model.parameters(), lr=LEARNING_RATE) scheduler = optim.lr_scheduler.CosineAnnealingLR(optimizer, T_max=EPOCHS) print(f" Model parameters: {sum(p.numel() for p in model.parameters()):,}") # 5. Training loop print("\n5. Training...") best_val_auc = 0.0 for epoch in range(EPOCHS): train_loss, train_auc = train_epoch(model, train_loader, optimizer, criterion, DEVICE) val_loss, val_auc = validate(model, test_loader, criterion, DEVICE) scheduler.step() if val_auc > best_val_auc: best_val_auc = val_auc torch.save(model.state_dict(), 'cnn_best.pth') if (epoch + 1) % 5 == 0: print(f" Epoch {epoch+1:02d}/{EPOCHS}: " f"Train Loss: {train_loss:.4f}, Train AUC: {train_auc:.4f}, " f"Val Loss: {val_loss:.4f}, Val AUC: {val_auc:.4f}") print(f"\n Best validation AUC: {best_val_auc:.4f}") # 6. Load best model and evaluate print("\n6. Evaluating best model on test set...") model.load_state_dict(torch.load('cnn_best.pth')) # Full evaluation on test set model.eval() all_probs = [] all_targets = [] with torch.no_grad(): for data, target in test_loader: data = data.to(DEVICE) output = model(data) probs = F.softmax(output, dim=1)[:, 1] all_probs.extend(probs.cpu().numpy()) all_targets.extend(target.numpy()) all_probs = np.array(all_probs) all_targets = np.array(all_targets) auc = roc_auc_score(all_targets, all_probs) print(f"\n ROC AUC: {auc:.4f}") print("\n✅ Done!") if __name__ == "__main__": main()