Prepare data and get mat ids

gns/train.py

@@ -411,7 +411,6 @@ def setup_tensorboard(cfg, metadata):
     writer.add_hparams(hparam_dict, metric_dict)
     return writer
 
-
 def prepare_data(example, device_id):
     features, labels = example
 
@@ -421,13 +420,21 @@ def prepare_data(example, device_id):
         position, particle_type, n_particles_per_example = features
         material_property = None
 
-    # Convert numpy arrays to tensors
-    position = torch.from_numpy(position).float().to(device_id)
-    particle_type = torch.from_numpy(particle_type).long().to(device_id)
+    # Function to convert to tensor if needed and move to device
+    def to_tensor(x, dtype=torch.float):
+        if isinstance(x, np.ndarray):
+            return torch.from_numpy(x).to(dtype).to(device_id)
+        elif isinstance(x, torch.Tensor):
+            return x.to(dtype).to(device_id)
+        else:
+            return torch.tensor(x, dtype=dtype, device=device_id)
+
+    position = to_tensor(position)
+    particle_type = to_tensor(particle_type, dtype=torch.long)
     if material_property is not None:
-        material_property = torch.from_numpy(np.array(material_property)).float().to(device_id)
-    n_particles_per_example = torch.tensor([n_particles_per_example], device=device_id).long()
-    labels = torch.from_numpy(labels).float().to(device_id)
+        material_property = to_tensor(material_property)
+    n_particles_per_example = to_tensor(n_particles_per_example, dtype=torch.long)
+    labels = to_tensor(labels)
 
     return position, particle_type, material_property, n_particles_per_example, labels
 
@@ -1129,14 +1136,18 @@ def get_batch_for_material(train_dl, target_material_id, device_id):
     return dataset[random_idx]
 
 def get_unique_material_ids(train_dl, device_id):
+    """
+    Get a list of unique material IDs from the dataloader.
+    """
     unique_ids = set()
     for batch in train_dl:
         _, _, material_property, _, _ = prepare_data(batch, device_id)
 
-        if material_property.numel() == 1:
-            unique_ids.add(material_property.item())
-        else:
-            unique_ids.update(material_property.cpu().numpy())
+        if material_property is not None:
+            if material_property.numel() == 1:
+                unique_ids.add(material_property.item())
+            else:
+                unique_ids.update(material_property.cpu().numpy())
 
     return list(unique_ids)