reflectorch 1.2.0__py3-none-any.whl → 1.3.0__py3-none-any.whl

reflectorch/models/networks/mlp_networks.py

@@ -10,75 +10,77 @@ from reflectorch.models.encoders.conv_encoder import ConvEncoder
 from reflectorch.models.encoders.fno import FnoEncoder
 from reflectorch.models.activations import activation_by_name
 
-class NetworkWithPriorsConvEmb(nn.Module):
-    """MLP network with 1D CNN embedding network
+class NetworkWithPriors(nn.Module):
+    """MLP network with an embedding network
 
     .. image:: ../documentation/FigureReflectometryNetwork.png
         :width: 800px
         :align: center
 
     Args:
-        in_channels (int, optional): the number of input channels of the 1D CNN. Defaults to 1.
-        hidden_channels (tuple, optional): list with the number of channels for each layer of the 1D CNN. Defaults to (32, 64, 128, 256, 512).
-        dim_embedding (int, optional): the dimension of the embedding produced by the 1D CNN. Defaults to 128.
-        dim_avpool (int, optional): the type of activation function in the 1D CNN. Defaults to 1.
-        embedding_net_activation (str, optional): the type of activation function in the 1D CNN. Defaults to 'gelu'.
-        use_batch_norm (bool, optional): whether to use batch normalization (in both the 1D CNN and the MLP). Defaults to False.
+        embedding_net_type (str): the type of embedding network, either 'conv' or 'fno'.
+        embedding_net_kwargs (dict): dictionary containing the keyword arguments for the embedding network.
         dim_out (int, optional): the dimension of the output produced by the MLP. Defaults to 8.
+        dim_conditioning_params (int, optional): the dimension of other parameters the network is conditioned on (e.g. for the smearing coefficient dq/q)
         layer_width (int, optional): the width of a linear layer in the MLP. Defaults to 512.
         num_blocks (int, optional): the number of residual blocks in the MLP. Defaults to 4.
         repeats_per_block (int, optional): the number of normalization/activation/linear repeats in a block. Defaults to 2.
         mlp_activation (str, optional):  the type of activation function in the MLP. Defaults to 'gelu'.
+        use_batch_norm (bool, optional): whether to use batch normalization in the MLP. Defaults to True.
+        use_layer_norm (bool, optional): whether to use layer normalization in the MLP (if use_batch_norm is False). Defaults to False.
         dropout_rate (float, optional): dropout rate for each block. Defaults to 0.0.
+        tanh_output (bool, optional): whether to apply a tanh function to the output. Defaults to False.
         use_selu_init (bool, optional): whether to use the special weights initialization for the 'selu' activation function. Defaults to False.
         pretrained_embedding_net (str, optional): the path to the weights of a pretrained embedding network. Defaults to None.
         residual (bool, optional): whether the blocks have a residual skip connection. Defaults to True.
         adaptive_activation (bool, optional): must be set to ``True`` if the activation function is adaptive. Defaults to False.
         conditioning (str, optional): the manner in which the prior bounds are provided as input to the network. Defaults to 'concat'.
-    """
+      """
     def __init__(self,
-                 in_channels: int = 1,
-                 hidden_channels: tuple = (32, 64, 128, 256, 512),
-                 dim_embedding: int = 128,
-                 dim_avpool: int = 1,
-                 embedding_net_activation: str = 'gelu',
-                 use_batch_norm: bool = False,
+                 embedding_net_type: str,  # 'conv', 'fno'
+                 embedding_net_kwargs: dict,
+                 pretrained_embedding_net: str = None,
                  dim_out: int = 8,
+                 dim_conditioning_params: int = 0,
                  layer_width: int = 512,
                  num_blocks: int = 4,
                  repeats_per_block: int = 2,
                  mlp_activation: str = 'gelu',
+                 use_batch_norm: bool = True,
+                 use_layer_norm: bool = False,
                  dropout_rate: float = 0.0,
+                 tanh_output: bool = False,
                  use_selu_init: bool = False,
-                 pretrained_embedding_net: str = None,
                  residual: bool = True,
                  adaptive_activation: bool = False,
                  conditioning: str = 'concat',
-                 ):
+                 concat_condition_first_layer: bool = True):
         super().__init__()
 
-        self.in_channels = in_channels
         self.conditioning = conditioning
-
-        self.embedding_net = ConvEncoder(
-            in_channels=in_channels, 
-            hidden_channels=hidden_channels, 
-            dim_latent=dim_embedding, 
-            dim_avpool=dim_avpool,
-            use_batch_norm=use_batch_norm, 
-            activation=embedding_net_activation
-        )
-        
         self.dim_prior_bounds = 2 * dim_out
+        self.dim_conditioning_params = dim_conditioning_params
+        self.tanh_output = tanh_output
+
+        if embedding_net_type == 'conv':
+            self.embedding_net = ConvEncoder(**embedding_net_kwargs)
+        elif embedding_net_type == 'fno':
+            self.embedding_net = FnoEncoder(**embedding_net_kwargs)
+        elif embedding_net_type == 'no_embedding_net':
+            self.embedding_net = nn.Identity()
+        else:
+            raise ValueError(f"Unsupported embedding_net_type: {embedding_net_type}")
+
+        self.dim_embedding = embedding_net_kwargs['dim_embedding']
 
         if conditioning == 'concat':
-            dim_mlp_in = dim_embedding + self.dim_prior_bounds
+            dim_mlp_in = self.dim_embedding + self.dim_prior_bounds + self.dim_conditioning_params
             dim_condition = 0
         elif conditioning == 'glu' or conditioning == 'film':
-            dim_mlp_in = dim_embedding
-            dim_condition = self.dim_prior_bounds
+            dim_mlp_in = self.dim_embedding
+            dim_condition = self.dim_prior_bounds + self.dim_conditioning_params
         else:
-            raise NotImplementedError
+            raise NotImplementedError(f"Conditioning type '{conditioning}' is not supported.")
 
         self.mlp = ResidualMLP(
             dim_in=dim_mlp_in,
@@ -89,15 +91,16 @@ class NetworkWithPriorsConvEmb(nn.Module):
             repeats_per_block=repeats_per_block,
             activation=mlp_activation,
             use_batch_norm=use_batch_norm,
+            use_layer_norm=use_layer_norm,
             dropout_rate=dropout_rate,
             residual=residual,
             adaptive_activation=adaptive_activation,
             conditioning=conditioning,
+            concat_condition_first_layer=concat_condition_first_layer,
         )
 
-        if use_selu_init and embedding_net_activation == 'selu':
+        if use_selu_init and embedding_net_kwargs.get('activation', None) == 'selu':
             self.embedding_net.apply(selu_init)
-
         if use_selu_init and mlp_activation == 'selu':
             self.mlp.apply(selu_init)
 
@@ -105,142 +108,311 @@ class NetworkWithPriorsConvEmb(nn.Module):
             self.embedding_net.load_weights(pretrained_embedding_net)
 
 
-    def forward(self, curves: Tensor, bounds: Tensor, q_values: Optional[Tensor] = None):
+    def forward(self, curves, bounds, q_values=None, conditioning_params=None):
         """
         Args:
-            curves (Tensor): reflectivity curves
-            bounds (Tensor): prior bounds
-            q_values (Tensor, optional): q values. Defaults to None.
-
-        Returns:
-            Tensor: prediction
+            scaled_curves (torch.Tensor): Input tensor of shape [batch_size, n_points] or [batch_size, n_channels, n_points].
+            scaled_bounds (torch.Tensor): Tensor representing prior bounds, shape [batch_size, 2*n_params].
+            scaled_q_values (torch.Tensor, optional): Tensor of shape [batch_size, n_points].
+            scaled_conditioning_params (torch.Tensor, optional): Additional parameters for conditioning, shape [batch_size, ...].
         """
+
+        if curves.dim() == 2:
+            curves = curves.unsqueeze(1)
+
+        additional_channels = []
         if q_values is not None:
-            curves = torch.cat([curves[:, None, :], q_values[:, None, :]], dim=1)
+            additional_channels.append(q_values.unsqueeze(1))
+
+        if additional_channels:
+            curves = torch.cat([curves] + additional_channels, dim=1)  # [batch_size, n_channels, n_points]
+
+        x = self.embedding_net(curves)
 
         if self.conditioning == 'concat': 
-            x = torch.cat([self.embedding_net(curves), bounds], dim=-1)
+            x = torch.cat([x, bounds] + ([conditioning_params] if conditioning_params is not None else []), dim=-1)
             x = self.mlp(x)
 
-        elif self.conditioning == 'glu' or self.conditioning == 'film':
-            x = self.mlp(self.embedding_net(curves), condition=bounds)
+        elif self.conditioning in ['glu', 'film']:
+            condition = torch.cat([bounds] + ([conditioning_params] if conditioning_params is not None else []), dim=-1)
+            x = self.mlp(x, condition=condition)
 
-        return x
-    
-    
-class NetworkWithPriorsFnoEmb(nn.Module):
-    """MLP network with FNO embedding network
+        else:
+            raise NotImplementedError(f"Conditioning type {self.conditioning} not recognized.")
 
-    Args:
-        in_channels (int, optional): the number of input channels to the FNO-based embedding network. Defaults to 2.
-        dim_embedding (int, optional): the dimension of the embedding produced by the FNO. Defaults to 128.
-        modes (int, optional):  the number of Fourier modes that are utilized. Defaults to 16.
-        width_fno (int, optional): the number of channels in the FNO blocks. Defaults to 64.
-        embedding_net_activation (str, optional):  the type of activation function in the embedding network. Defaults to 'gelu'.
-        n_fno_blocks (int, optional): the number of FNO blocks. Defaults to 6.
-        fusion_self_attention (bool, optional): if ``True`` a fusion layer is used after the FNO blocks to produce the final output. Defaults to False.
-        dim_out (int, optional): the dimension of the output produced by the MLP. Defaults to 8.
-        layer_width (int, optional): the width of a linear layer in the MLP. Defaults to 512.
-        num_blocks (int, optional): the number of residual blocks in the MLP. Defaults to 4.
-        repeats_per_block (int, optional): the number of normalization/activation/linear repeats in a block. Defaults to 2.
-        use_batch_norm (bool, optional): whether to use batch normalization (only in the MLP). Defaults to False.
-        mlp_activation (str, optional):  the type of activation function in the MLP. Defaults to 'gelu'.
-        dropout_rate (float, optional): dropout rate for each block. Defaults to 0.0.
-        use_selu_init (bool, optional): whether to use the special weights initialization for the 'selu' activation function. Defaults to False.
-        residual (bool, optional): whether the blocks have a residual skip connection. Defaults to True.
-        adaptive_activation (bool, optional): must be set to ``True`` if the activation function is adaptive. Defaults to False.
-        conditioning (str, optional): the manner in which the prior bounds are provided as input to the network. Defaults to 'concat'.
-    """
-    def __init__(self,
-                 in_channels: int = 2,
-                 dim_embedding: int = 128,
-                 modes: int = 16,
-                 width_fno: int = 64,
-                 embedding_net_activation: str = 'gelu',
-                 n_fno_blocks : int = 6,
-                 fusion_self_attention: bool = False,
-                 dim_out: int = 8,
-                 layer_width: int = 512,
-                 num_blocks: int = 4,
-                 repeats_per_block: int = 2,
-                 use_batch_norm: bool = False,
-                 mlp_activation: str = 'gelu',
-                 dropout_rate: float = 0.0,
-                 use_selu_init: bool = False,
-                 residual: bool = True,
-                 adaptive_activation: bool = False,
-                 conditioning: str = 'concat',
-                 ):
-        super().__init__()
+        if self.tanh_output:
+            x = torch.tanh(x)
 
-        self.conditioning = conditioning
+        return x
 
-        self.embedding_net = FnoEncoder(
-            ch_in=in_channels, 
-            dim_embedding=dim_embedding, 
-            modes=modes, 
-            width_fno=width_fno, 
-            n_fno_blocks=n_fno_blocks, 
-            activation=embedding_net_activation,
-            fusion_self_attention=fusion_self_attention
+class NetworkWithPriorsConvEmb(NetworkWithPriors):
+    """Wrapper for back-compatibility with previous versions of the package"""
+    def __init__(self, **kwargs):
+        embedding_net_kwargs = {
+            'in_channels': kwargs.pop('in_channels', 1),
+            'hidden_channels': kwargs.pop('hidden_channels', [32, 64, 128, 256, 512]),
+            'dim_embedding': kwargs.pop('dim_embedding', 128),
+            'dim_avpool': kwargs.pop('dim_avpool', 1),
+            'activation': kwargs.pop('embedding_net_activation', 'gelu'),
+            'use_batch_norm': kwargs.pop('use_batch_norm', False),
+        }
+
+        super().__init__(
+            embedding_net_type='conv',
+            embedding_net_kwargs=embedding_net_kwargs,
+            **kwargs
         )
 
-        self.dim_prior_bounds = 2 * dim_out
-
-        if conditioning == 'concat':
-            dim_mlp_in = dim_embedding + self.dim_prior_bounds
-            dim_condition = 0
-        elif conditioning == 'glu' or conditioning == 'film':
-            dim_mlp_in = dim_embedding
-            dim_condition = self.dim_prior_bounds
-        else:
-            raise NotImplementedError
-
-        self.mlp = ResidualMLP(
-            dim_in=dim_mlp_in,
-            dim_out=dim_out,
-            dim_condition=dim_condition,
-            layer_width=layer_width,
-            num_blocks=num_blocks,
-            repeats_per_block=repeats_per_block,
-            activation=mlp_activation,
-            use_batch_norm=use_batch_norm,
-            dropout_rate=dropout_rate,
-            residual=residual,
-            adaptive_activation=adaptive_activation,
-            conditioning=conditioning,
+class NetworkWithPriorsFnoEmb(NetworkWithPriors):
+    """Wrapper for back-compatibility with previous versions of the package"""
+    def __init__(self, **kwargs):
+        embedding_net_kwargs = {
+            'in_channels': kwargs.pop('in_channels', 2),
+            'dim_embedding': kwargs.pop('dim_embedding', 128),
+            'modes': kwargs.pop('modes', 16),
+            'width_fno': kwargs.pop('width_fno', 64),
+            'n_fno_blocks': kwargs.pop('n_fno_blocks', 6),
+            'activation': kwargs.pop('embedding_net_activation', 'gelu'),
+            'fusion_self_attention': kwargs.pop('fusion_self_attention', False),
+        }
+
+        super().__init__(
+            embedding_net_type='fno',
+            embedding_net_kwargs=embedding_net_kwargs,
+            **kwargs
         )
 
-        if use_selu_init and embedding_net_activation == 'selu':
-            self.FnoEncoder.apply(selu_init)
-
-        if use_selu_init and mlp_activation == 'selu':
-            self.mlp.apply(selu_init)
+# class NetworkWithPriorsConvEmb(nn.Module):
+#     """MLP network with 1D CNN embedding network
+
+#     .. image:: ../documentation/FigureReflectometryNetwork.png
+#         :width: 800px
+#         :align: center
+
+#     Args:
+#         in_channels (int, optional): the number of input channels of the 1D CNN. Defaults to 1.
+#         hidden_channels (tuple, optional): list with the number of channels for each layer of the 1D CNN. Defaults to (32, 64, 128, 256, 512).
+#         dim_embedding (int, optional): the dimension of the embedding produced by the 1D CNN. Defaults to 128.
+#         dim_avpool (int, optional): the type of activation function in the 1D CNN. Defaults to 1.
+#         embedding_net_activation (str, optional): the type of activation function in the 1D CNN. Defaults to 'gelu'.
+#         use_batch_norm (bool, optional): whether to use batch normalization (in both the 1D CNN and the MLP). Defaults to False.
+#         dim_out (int, optional): the dimension of the output produced by the MLP. Defaults to 8.
+#         layer_width (int, optional): the width of a linear layer in the MLP. Defaults to 512.
+#         num_blocks (int, optional): the number of residual blocks in the MLP. Defaults to 4.
+#         repeats_per_block (int, optional): the number of normalization/activation/linear repeats in a block. Defaults to 2.
+#         mlp_activation (str, optional):  the type of activation function in the MLP. Defaults to 'gelu'.
+#         dropout_rate (float, optional): dropout rate for each block. Defaults to 0.0.
+#         use_selu_init (bool, optional): whether to use the special weights initialization for the 'selu' activation function. Defaults to False.
+#         pretrained_embedding_net (str, optional): the path to the weights of a pretrained embedding network. Defaults to None.
+#         residual (bool, optional): whether the blocks have a residual skip connection. Defaults to True.
+#         adaptive_activation (bool, optional): must be set to ``True`` if the activation function is adaptive. Defaults to False.
+#         conditioning (str, optional): the manner in which the prior bounds are provided as input to the network. Defaults to 'concat'.
+#     """
+#     def __init__(self,
+#                  in_channels: int = 1,
+#                  hidden_channels: tuple = (32, 64, 128, 256, 512),
+#                  dim_embedding: int = 128,
+#                  dim_avpool: int = 1,
+#                  embedding_net_activation: str = 'gelu',
+#                  use_batch_norm: bool = False,
+#                  dim_out: int = 8,
+#                  layer_width: int = 512,
+#                  num_blocks: int = 4,
+#                  repeats_per_block: int = 2,
+#                  mlp_activation: str = 'gelu',
+#                  dropout_rate: float = 0.0,
+#                  use_selu_init: bool = False,
+#                  pretrained_embedding_net: str = None,
+#                  residual: bool = True,
+#                  adaptive_activation: bool = False,
+#                  conditioning: str = 'concat',
+#                  ):
+#         super().__init__()
+
+#         self.in_channels = in_channels
+#         self.conditioning = conditioning
+
+#         self.embedding_net = ConvEncoder(
+#             in_channels=in_channels, 
+#             hidden_channels=hidden_channels, 
+#             dim_latent=dim_embedding, 
+#             dim_avpool=dim_avpool,
+#             use_batch_norm=use_batch_norm, 
+#             activation=embedding_net_activation
+#         )
+        
+#         self.dim_prior_bounds = 2 * dim_out
+
+#         if conditioning == 'concat':
+#             dim_mlp_in = dim_embedding + self.dim_prior_bounds
+#             dim_condition = 0
+#         elif conditioning == 'glu' or conditioning == 'film':
+#             dim_mlp_in = dim_embedding
+#             dim_condition = self.dim_prior_bounds
+#         else:
+#             raise NotImplementedError
+
+#         self.mlp = ResidualMLP(
+#             dim_in=dim_mlp_in,
+#             dim_out=dim_out,
+#             dim_condition=dim_condition,
+#             layer_width=layer_width,
+#             num_blocks=num_blocks,
+#             repeats_per_block=repeats_per_block,
+#             activation=mlp_activation,
+#             use_batch_norm=use_batch_norm,
+#             dropout_rate=dropout_rate,
+#             residual=residual,
+#             adaptive_activation=adaptive_activation,
+#             conditioning=conditioning,
+#         )
+
+#         if use_selu_init and embedding_net_activation == 'selu':
+#             self.embedding_net.apply(selu_init)
+
+#         if use_selu_init and mlp_activation == 'selu':
+#             self.mlp.apply(selu_init)
+
+#         if pretrained_embedding_net:
+#             self.embedding_net.load_weights(pretrained_embedding_net)
+
+
+#     def forward(self, curves: Tensor, bounds: Tensor, q_values: Optional[Tensor] = None):
+#         """
+#         Args:
+#             curves (Tensor): reflectivity curves
+#             bounds (Tensor): prior bounds
+#             q_values (Tensor, optional): q values. Defaults to None.
+
+#         Returns:
+#             Tensor: prediction
+#         """
+#         if q_values is not None:
+#             curves = torch.cat([curves[:, None, :], q_values[:, None, :]], dim=1)
+
+#         if self.conditioning == 'concat': 
+#             x = torch.cat([self.embedding_net(curves), bounds], dim=-1)
+#             x = self.mlp(x)
+
+#         elif self.conditioning == 'glu' or self.conditioning == 'film':
+#             x = self.mlp(self.embedding_net(curves), condition=bounds)
+
+#         return x
+    
+    
+# class NetworkWithPriorsFnoEmb(nn.Module):
+#     """MLP network with FNO embedding network
+
+#     Args:
+#         in_channels (int, optional): the number of input channels to the FNO-based embedding network. Defaults to 2.
+#         dim_embedding (int, optional): the dimension of the embedding produced by the FNO. Defaults to 128.
+#         modes (int, optional):  the number of Fourier modes that are utilized. Defaults to 16.
+#         width_fno (int, optional): the number of channels in the FNO blocks. Defaults to 64.
+#         embedding_net_activation (str, optional):  the type of activation function in the embedding network. Defaults to 'gelu'.
+#         n_fno_blocks (int, optional): the number of FNO blocks. Defaults to 6.
+#         fusion_self_attention (bool, optional): if ``True`` a fusion layer is used after the FNO blocks to produce the final output. Defaults to False.
+#         dim_out (int, optional): the dimension of the output produced by the MLP. Defaults to 8.
+#         layer_width (int, optional): the width of a linear layer in the MLP. Defaults to 512.
+#         num_blocks (int, optional): the number of residual blocks in the MLP. Defaults to 4.
+#         repeats_per_block (int, optional): the number of normalization/activation/linear repeats in a block. Defaults to 2.
+#         use_batch_norm (bool, optional): whether to use batch normalization (only in the MLP). Defaults to False.
+#         mlp_activation (str, optional):  the type of activation function in the MLP. Defaults to 'gelu'.
+#         dropout_rate (float, optional): dropout rate for each block. Defaults to 0.0.
+#         use_selu_init (bool, optional): whether to use the special weights initialization for the 'selu' activation function. Defaults to False.
+#         residual (bool, optional): whether the blocks have a residual skip connection. Defaults to True.
+#         adaptive_activation (bool, optional): must be set to ``True`` if the activation function is adaptive. Defaults to False.
+#         conditioning (str, optional): the manner in which the prior bounds are provided as input to the network. Defaults to 'concat'.
+#     """
+#     def __init__(self,
+#                  in_channels: int = 2,
+#                  dim_embedding: int = 128,
+#                  modes: int = 16,
+#                  width_fno: int = 64,
+#                  embedding_net_activation: str = 'gelu',
+#                  n_fno_blocks : int = 6,
+#                  fusion_self_attention: bool = False,
+#                  dim_out: int = 8,
+#                  layer_width: int = 512,
+#                  num_blocks: int = 4,
+#                  repeats_per_block: int = 2,
+#                  use_batch_norm: bool = False,
+#                  mlp_activation: str = 'gelu',
+#                  dropout_rate: float = 0.0,
+#                  use_selu_init: bool = False,
+#                  residual: bool = True,
+#                  adaptive_activation: bool = False,
+#                  conditioning: str = 'concat',
+#                  ):
+#         super().__init__()
+
+#         self.conditioning = conditioning
+
+#         self.embedding_net = FnoEncoder(
+#             ch_in=in_channels, 
+#             dim_embedding=dim_embedding, 
+#             modes=modes, 
+#             width_fno=width_fno, 
+#             n_fno_blocks=n_fno_blocks, 
+#             activation=embedding_net_activation,
+#             fusion_self_attention=fusion_self_attention
+#         )
+
+#         self.dim_prior_bounds = 2 * dim_out
+
+#         if conditioning == 'concat':
+#             dim_mlp_in = dim_embedding + self.dim_prior_bounds
+#             dim_condition = 0
+#         elif conditioning == 'glu' or conditioning == 'film':
+#             dim_mlp_in = dim_embedding
+#             dim_condition = self.dim_prior_bounds
+#         else:
+#             raise NotImplementedError
+
+#         self.mlp = ResidualMLP(
+#             dim_in=dim_mlp_in,
+#             dim_out=dim_out,
+#             dim_condition=dim_condition,
+#             layer_width=layer_width,
+#             num_blocks=num_blocks,
+#             repeats_per_block=repeats_per_block,
+#             activation=mlp_activation,
+#             use_batch_norm=use_batch_norm,
+#             dropout_rate=dropout_rate,
+#             residual=residual,
+#             adaptive_activation=adaptive_activation,
+#             conditioning=conditioning,
+#         )
+
+#         if use_selu_init and embedding_net_activation == 'selu':
+#             self.FnoEncoder.apply(selu_init)
+
+#         if use_selu_init and mlp_activation == 'selu':
+#             self.mlp.apply(selu_init)
 
             
-    def forward(self, curves: Tensor, bounds: Tensor, q_values: Optional[Tensor] =None):
-        """
-        Args:
-            curves (Tensor): reflectivity curves
-            bounds (Tensor): prior bounds
-            q_values (Tensor, optional): q values. Defaults to None.
-
-        Returns:
-            Tensor: prediction
-        """
-        if curves.dim() < 3:
-            curves = curves[:, None, :]
-        if q_values is not None:
-            curves = torch.cat([curves, q_values[:, None, :]], dim=1)
-
-        if self.conditioning == 'concat': 
-            x = torch.cat([self.embedding_net(curves), bounds], dim=-1)
-            x = self.mlp(x)
-
-        elif self.conditioning == 'glu' or self.conditioning == 'film':
-            x = self.mlp(self.embedding_net(curves), condition=bounds)
-
-        return x
+#     def forward(self, curves: Tensor, bounds: Tensor, q_values: Optional[Tensor] =None):
+#         """
+#         Args:
+#             curves (Tensor): reflectivity curves
+#             bounds (Tensor): prior bounds
+#             q_values (Tensor, optional): q values. Defaults to None.
+
+#         Returns:
+#             Tensor: prediction
+#         """
+#         if curves.dim() < 3:
+#             curves = curves[:, None, :]
+#         if q_values is not None:
+#             curves = torch.cat([curves, q_values[:, None, :]], dim=1)
+
+#         if self.conditioning == 'concat': 
+#             x = torch.cat([self.embedding_net(curves), bounds], dim=-1)
+#             x = self.mlp(x)
+
+#         elif self.conditioning == 'glu' or self.conditioning == 'film':
+#             x = self.mlp(self.embedding_net(curves), condition=bounds)
+
+#         return x