Merge branch 'main' into ablation_studies

# Conflicts:
#	config/run_specific_config/config.yaml
#	src/ntl/run_language_modeling.py
#	tests/test_evaluation.py

LICENSE

@@ -0,0 +1,21 @@
+MIT License
+
+Copyright (c) 2025 TUM.ai
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

config/model_args/vanilla_t5_ntl.yaml

@@ -3,4 +3,5 @@ config_name: t5-base
 number_encoding: none
 number_token_loss: true
 number_token_loss_weight: 0.3
-number_token_loss_with_wasserstein: false
+number_token_loss_with_wasserstein: false
+#number_token_loss_function:

config/run_specific_config/config.yaml

@@ -1,5 +1,5 @@
 training_args:
-  trial: ablation_studies
+  trial:
   special_name:
   max_steps: 2500000
   load_best_model_at_end: false

src/ntl/evaluation.py

@@ -21,6 +21,8 @@
 DEVICE = torch.device("cuda" if torch.cuda.is_available() else "cpu")
 
 
+
+
 class CustomMetrics:
     """
     Compute custom metrics for the model with access to the vocab to compute MSE

src/ntl/utils/label_smoother.py

@@ -8,7 +8,7 @@
 
 
 @dataclass
-class GaussianLabelSmoother(LabelSmoother):
+class GaussianLabelSmoother:
     """
     A label smoother that applies Gaussian smoothing ONLY to number tokens, as
     selected by `NumberTokenSelector`. Non-number tokens remain untouched or masked out.
@@ -26,20 +26,30 @@ class GaussianLabelSmoother(LabelSmoother):
     sigma: float = 1.0
     ignore_index: int = -100
     selector: object = None  # Instance of `NumberTokenSelector`
+    eps = 1e-8 # epsilon
 
     def __call__(self, model_output, labels: Tensor, shift_labels: bool = False) -> Tensor:
         """
         Compute the Gaussian-smoothed cross-entropy loss.
+        
+        Parameters: 
+            model_output: torch.Tensor or Dict[str, torch.Tensor]
+                The model output logits or a dictionary containing the logits.
+            labels: torch.Tensor of shape (batch_size, seq_len)
+            shift_labels: bool
         """
         # Get logits from model output
         if isinstance(model_output, dict):
-            logits = model_output["logits"]
+            logits = model_output["logits"] # (batch_size, seq_len, voc_size)
         else:
-            logits = model_output[0]
+            logits = model_output[0] # (batch_size, seq_len, voc_size)
 
         # Handle empty logits or labels gracefully by returning zero loss
         if logits.numel() == 0 or labels.numel() == 0:
-            return torch.tensor(0.0, device=logits.device)
+            # Return a zero that still has grad_fn
+            print("requires_grad:", logits.requires_grad)
+            return logits.sum() * 0.0
+
 
         # Shift labels if needed 
         if shift_labels:
@@ -52,76 +62,91 @@ def __call__(self, model_output, labels: Tensor, shift_labels: bool = False) ->
                 raise AttributeError("The selector must have an attribute 'nvocab' representing the number of valid vocab tokens.")
 
             # Select number tokens
-            logits, number_tokens = self.selector.select_number_tokens(logits)
+            number_logits, vocab_numbers_mask = self.selector.select_number_tokens(logits) # (batch_size, seq_len, num_classes_numbers)
 
             # Get the number of classes and the mask for number tokens
-            tokens_encoding_numbers = self.selector.nvocab[number_tokens]  
-            num_classes = tokens_encoding_numbers.shape[0]
-            labels_mask = torch.isin(labels, tokens_encoding_numbers)
+            tokens_encoding_numbers = self.selector.nvocab[vocab_numbers_mask]  
+            num_classes_numbers = tokens_encoding_numbers.shape[0]
+            labels_number_mask = torch.isin(labels, tokens_encoding_numbers) # (batch_size, seq_len)
 
         else:
             # If no selector is given, assume all are number tokens
-            labels_mask = torch.ones_like(labels, dtype=torch.bool)
-            num_classes = logits.size(-1)  # Dynamic determination of num_classes 
-            # raise Exception("A NumberTokenSelector needs to be provided to the GaussianLabelSmoother.")
+            labels_number_mask = torch.ones_like(labels, dtype=torch.bool)
+            num_classes_numbers = logits.size(-1)  # Dynamic determination of num_classes_numbers 
 
-        # Mask for valid number labels and non-padding tokens. Potentially unnecessary, as number labels certainly do not include the ignore_index. Added for safety.
-        valid_mask = (labels != self.ignore_index) & labels_mask
+        # All labels that are not self.ignore_index
+        valid_mask = (labels != self.ignore_index) # (batch_size, seq_len)
 
-        # Validation to ensure that labels are within the valid range [0, num_classes - 1]
-        valid_labels = (labels[valid_mask] >= 0) & (labels[valid_mask] < num_classes)
-        if not torch.all(valid_labels):
-            raise RuntimeError("Some labels are out of the valid range [0, num_classes - 1].")
+        if not valid_mask.any():
+            # If no valid tokens are present, return zero loss that still has grad_fn
+            return logits.sum() * 0.0
 
-        if self.sigma == 0.0:
-            # When sigma is zero, use one-hot labels directly without smoothing. 
-            # To avoid F.one_hot error, all labels outside of valid_mask are set to 0
-            safe_labels = labels.clone()
-            safe_labels = labels * valid_mask  
-            labels_to_calculate_loss = F.one_hot(safe_labels, num_classes=num_classes).float()
-
-            # Zero out the labels_to_calculate_loss where not valid
-            labels_to_calculate_loss = labels_to_calculate_loss * valid_mask.unsqueeze(-1)
-
-        else:                  
-            # Check if there are any number tokens to smooth
-            if valid_mask.any():
-                # Create a tensor of class indices
-                class_indices = torch.arange(num_classes, device=labels.device).view(1, 1, num_classes)  # (1, 1, num_classes)
-
-                # Expand labels to shape (batch_size, seq_length, 1). Cast to float32 if necessary
-                labels_expanded = labels.unsqueeze(-1).float()  #  (batch_size, seq_length, 1)
-
-                # Gaussian distribution around each label index:
-                #    Over [0..num_classes-1] for each label l_i: 
-                #       dist_j = exp(-((j - l_i)^2 / (2*sigma^2)))
-
-                # Calculate the Gaussian probability for each class
-                gaussian = torch.exp(-0.5 * ((class_indices - labels_expanded) / self.sigma) ** 2)  # (batch_size, num_outputs, num_classes)
+        # Mask for valid number labels and non-padding tokens. 
+        number_mask = valid_mask * labels_number_mask # (batch_size, seq_len) # should not change anything, as labels_number_mask is already a subset of valid_mask
+        non_number_mask = valid_mask * ~labels_number_mask # (batch_size, seq_len)
+
+        # Validation to ensure that labels are within the valid range [0, num_classes_numbers - 1]
+        if not torch.all((labels[number_mask] >= 0) & (labels[number_mask] < num_classes_numbers)):
+            print("min", labels[number_mask].min(), "max", labels[number_mask].max())
+            raise RuntimeError("Some labels are out of the valid range [0, num_classes_numbers - 1].")
+
+        # Compute log probabilities once for efficiency
+        log_probs = F.log_softmax(logits, dim=-1)  # [B, S, C]
+
+        # Initialize loss tensors
+        loss_numbers = torch.zeros_like(labels, dtype=logits.dtype, device=logits.device) # (batch_size, seq_len)
+        loss_non_numbers = torch.zeros_like(labels, dtype=logits.dtype, device=logits.device) # (batch_size, seq_len)       
+
+        # Compute loss for number tokens
+        if number_mask.any():
+            if self.sigma == 0.0:
+                # When sigma is zero, use one-hot labels directly without smoothing. 
+                # To avoid F.one_hot error, all labels outside of valid_mask are set to 0
+                number_labels_filled = labels.clone()
+                number_labels_filled = labels.masked_fill(~number_mask, 0)  # All non-number tokens are filled with zero
+                number_one_hot = F.one_hot(number_labels_filled, num_classes=num_classes_numbers).float()
+                number_one_hot = number_one_hot * number_mask.unsqueeze(-1)  # Zero out non-number tokens
+
+                # Compute the loss for number tokens
+                loss_numbers = -(number_one_hot * log_probs[..., :num_classes_numbers]).sum(dim=-1)
 
-                # Normalize to ensure each (batch, output) sums to 1
-                gaussian_probs = gaussian / gaussian.sum(dim=2 , keepdim=True)  # [B, S, C] 
-
-                # Apply the valid mask
-                labels_to_calculate_loss = gaussian_probs * valid_mask.unsqueeze(-1)
+            else:      
+                # Gaussian smoothing for number tokens
+                # Create a tensor of class indices
+                class_indices = torch.arange(num_classes_numbers, device=labels.device).view(1, 1, num_classes_numbers) # (1, 1, num_classes_numbers)
 
-            else: 
-                # If no valid tokens, set labels_to_calculate_loss to zero
-                labels_to_calculate_loss = torch.zeros_like(logits)
+                # Expand labels to shape (batch_size, seq_length, 1).  Cast to float32 if necessary
+                labels_expanded = labels.unsqueeze(-1).float()  # (batch_size, seq_length, 1)      
 
+                # Compute Gaussian distribution around each label index
+                gaussian = torch.exp(-0.5 * ((class_indices - labels_expanded) / self.sigma) ** 2)  # (batch_size, seq_len//number_outputs, num_classes_numbers)
 
-        # Compute cross-entropy using smoothed label distribution
-        log_probs = F.log_softmax(logits, dim=-1)  # shape [B, S, C] 
-        loss_per_token = -(labels_to_calculate_loss * log_probs).sum(dim=-1) # distribution = - sum_{j} (smoothed_label_j * log_probs_j)
+                # Normalize to ensure each (batch, output) sums to 1. Prevent division by zero
+                gaussian_probs = gaussian / (gaussian.sum(dim=2, keepdim=True) + self.eps) 
+
+                # Apply mask to Gaussian probabilities
+                gaussian_probs = gaussian_probs * number_mask.unsqueeze(-1)  # Zero out non-number tokens
+
+                # Compute the loss for number tokens
+                loss_numbers = -(gaussian_probs * log_probs[..., :num_classes_numbers]).sum(dim=-1) # (batch_size, seq_len)
 
-        # Average across the valid tokens. Also works in the case that num_valid == 0. 
-        # Invalid positions are replaced with zero, ensuring that the tensor remains connected to the graph
-        loss_per_token = torch.where(valid_mask, loss_per_token, torch.zeros_like(loss_per_token))
+        # Compute loss for non-number tokens
+        if non_number_mask.any():
+            # One-hot encoding for non-number tokens
+            non_number_labels_filled = labels.clone()
+            non_number_labels_filled = non_number_labels_filled.masked_fill(~non_number_mask, 0)  # Fill non-valid tokens with 0 # (batch_size, seq_len)
+            one_hot_non_num = F.one_hot(non_number_labels_filled, num_classes=logits.size(-1)).float()
+            one_hot_non_num = one_hot_non_num *  non_number_mask.unsqueeze(-1).expand(-1, -1, one_hot_non_num.size(-1)) # non_number_mask.unsqueeze(-1)  # Zero out non-number tokens
+
+            # Compute the loss for non-number tokens
+            loss_non_numbers = -(one_hot_non_num * log_probs).sum(dim=-1)
+
+        # Combine the two losses into a single tensor
+        loss_per_token = torch.where(number_mask, loss_numbers, loss_non_numbers)  # (batch_size, seq_len)
+
+        # Average across the valid tokens.         
         num_valid = valid_mask.sum().float()
         loss = loss_per_token.sum() / torch.clamp(num_valid, min=1.0)
 
         return loss
 
-
-
-

tests/test_evaluation.py

@@ -97,8 +97,6 @@ def test_calculate_result_mse(self):
         self.assertEqual(median_absolute_error, expected_median_absolute_error)
         self.assertEqual(log_mae, expected_log_mae)
         self.assertEqual(log_r2, expected_log_r2)
-        self.assertEqual(pearson, expected_pearson)
-        self.assertEqual(spearman, expected_spearman)
 
 
 if __name__ == "__main__":