""" Dataloader for Kukanja packed NPZ files (MS or EAE). Supports N-level label hierarchies and generic metadata fields. """ import numpy as np import torch from torch.utils.data import Dataset, DataLoader class KukanjaDataset(Dataset): """Generic N-level spatial transcriptomics dataset.""" def __init__(self, X, labels_list, label_names, sample_ids, spatial, disease_score, spatial_norm=None): """ Args: X: [N, G] gene expression matrix labels_list: list of N-len arrays, one per hierarchy level label_names: list of str, e.g. ['level0','level1_5','level2','level3'] sample_ids: [N,] sample/donor IDs for splitting spatial: [N, 2] spatial coordinates disease_score: [N,] disease-related continuous score spatial_norm: [N, 2] normalized spatial coords (optional) """ self.X = torch.from_numpy(X).float() self.labels = [torch.from_numpy(y).long() for y in labels_list] self.label_names = label_names self.sample_ids = torch.from_numpy(sample_ids).long() self.spatial = torch.from_numpy(spatial).float() self.disease_score = torch.from_numpy(disease_score).float() if spatial_norm is not None: self.spatial_norm = torch.from_numpy(spatial_norm).float() else: self.spatial_norm = self.spatial.clone() def __len__(self): return self.X.shape[0] def __getitem__(self, idx): item = { 'X': self.X[idx], 'spatial': self.spatial[idx], 'spatial_norm': self.spatial_norm[idx], 'batch_id': self.sample_ids[idx], 'disease_score': self.disease_score[idx], } for i, name in enumerate(self.label_names): item[f'y_{name}'] = self.labels[i][idx] return item def build_dataloaders_kukanja(npz_path, batch_size=512, seed=3028, num_workers=8): """Load Kukanja packed npz and build train/val/test dataloaders.""" data = np.load(npz_path, allow_pickle=True) X = data['X'] sample_ids = data['sample_ids'] spatial = data['spatial'] disease_score = data['disease_score'] spatial_norm = data.get('spatial_norm', None) # Load label names from metadata meta = data['meta'].item() label_names = meta['label_names'] # e.g. ['level0','level1_5','level2','level3'] n_levels = len(label_names) labels_list = [data[f'y_{name}'] for name in label_names] # Sample-based split unique_samples = np.unique(sample_ids) n_samples = len(unique_samples) np.random.seed(seed) np.random.shuffle(unique_samples) # Adaptive split ratios based on number of samples if n_samples <= 6: # Few samples: 2 test, 1 val, rest train n_test = 2 n_val = 1 elif n_samples <= 15: # Medium: 3 test, 2 val, rest train n_test = 3 n_val = 2 else: # Many: ~20% test, ~10% val, rest train n_test = max(2, int(n_samples * 0.2)) n_val = max(1, int(n_samples * 0.1)) test_samples = unique_samples[:n_test] val_samples = unique_samples[n_test:n_test + n_val] train_samples = unique_samples[n_test + n_val:] mask_train = np.isin(sample_ids, train_samples) mask_val = np.isin(sample_ids, val_samples) mask_test = np.isin(sample_ids, test_samples) def _make_ds(mask): sn = spatial_norm[mask] if spatial_norm is not None else None return KukanjaDataset( X[mask], [y[mask] for y in labels_list], label_names, sample_ids[mask], spatial[mask], disease_score[mask], sn, ) train_ds = _make_ds(mask_train) val_ds = _make_ds(mask_val) test_ds = _make_ds(mask_test) train_loader = DataLoader(train_ds, batch_size=batch_size, shuffle=True, drop_last=True, num_workers=num_workers) val_loader = DataLoader(val_ds, batch_size=batch_size, shuffle=True, num_workers=num_workers) test_loader = DataLoader(test_ds, batch_size=batch_size, shuffle=False, num_workers=num_workers) info = { 'label_names': label_names, 'output_num': [meta[f'num_{name}'] for name in label_names], 'n_genes': X.shape[1], 'n_cells': X.shape[0], 'n_train': mask_train.sum(), 'n_val': mask_val.sum(), 'n_test': mask_test.sum(), 'train_samples': train_samples.tolist(), 'val_samples': val_samples.tolist(), 'test_samples': test_samples.tolist(), } return train_loader, val_loader, test_loader, info