reflectorch 1.5.1__py3-none-any.whl

reflectorch/models/networks/mlp_networks.py

@@ -0,0 +1,434 @@
+# -*- coding: utf-8 -*-
+
+import math
+from typing import Optional
+import torch
+from torch import nn, cat, split, Tensor
+
+from reflectorch.models.networks.residual_net import ResidualMLP
+from reflectorch.models.encoders.conv_encoder import ConvEncoder
+from reflectorch.models.encoders.integral_kernel_embedding import IntegralConvEmbedding
+from reflectorch.models.encoders.fno import FnoEncoder
+from reflectorch.models.activations import activation_by_name
+
+class NetworkWithPriors(nn.Module):
+    """MLP network with an embedding network
+
+    .. image:: ../documentation/FigureReflectometryNetwork.png
+        :width: 800px
+        :align: center
+
+    Args:
+        embedding_net_type (str): the type of embedding network, either 'conv', 'fno' or 'integral_conv'.
+        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,
+                 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,
+                 residual: bool = True,
+                 adaptive_activation: bool = False,
+                 conditioning: str = 'concat',
+                 concat_condition_first_layer: bool = True):
+        super().__init__()
+
+        self.conditioning = conditioning
+        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 == 'integral_conv':
+            self.embedding_net = IntegralConvEmbedding(**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 = self.dim_embedding + self.dim_prior_bounds + self.dim_conditioning_params
+            dim_condition = 0
+        elif conditioning == 'glu' or conditioning == 'film':
+            dim_mlp_in = self.dim_embedding
+            dim_condition = self.dim_prior_bounds + self.dim_conditioning_params
+        else:
+            raise NotImplementedError(f"Conditioning type '{conditioning}' is not supported.")
+
+        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,
+            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_kwargs.get('activation', None) == '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, bounds, q_values=None, conditioning_params=None, key_padding_mask=None, unscaled_q_values=None):
+        """
+        Args:
+            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 and not isinstance(self.embedding_net, IntegralConvEmbedding):
+            additional_channels.append(q_values.unsqueeze(1))
+
+        if additional_channels:
+            curves = torch.cat([curves] + additional_channels, dim=1)  # [batch_size, n_channels, n_points]
+
+        if isinstance(self.embedding_net, IntegralConvEmbedding):
+            x = self.embedding_net(q=unscaled_q_values.float(), y=curves.permute(0, 2, 1), drop_mask=key_padding_mask)
+        else:
+            x = self.embedding_net(curves)
+
+        if self.conditioning == 'concat': 
+            x = torch.cat([x, bounds] + ([conditioning_params] if conditioning_params is not None else []), dim=-1)
+            x = self.mlp(x)
+
+        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)
+
+        else:
+            raise NotImplementedError(f"Conditioning type {self.conditioning} not recognized.")
+
+        if self.tanh_output:
+            x = torch.tanh(x)
+
+        return x
+
+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
+        )
+
+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
+        )
+
+# 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 selu_init(m):
+    if isinstance(m, (nn.Conv1d, nn.Linear)):
+        m.weight.data.normal_(0.0, 0.5 / math.sqrt(m.weight.numel()))
+        nn.init.constant_(m.bias, 0)
+    elif isinstance(m, nn.BatchNorm1d):
+        size = m.weight.size()
+        fan_in = size[0]
+
+        m.weight.data.normal_(0.0, 1.0 / math.sqrt(fan_in))
+        m.bias.data.fill_(0)

reflectorch/models/networks/residual_net.py

@@ -0,0 +1,157 @@
+import torch
+from torch import nn
+from torch.nn import functional as F
+from torch.nn import init
+
+from reflectorch.models.activations import activation_by_name
+
+class ResidualMLP(nn.Module):
+    """Multilayer perceptron with residual blocks (BN-Act-Linear-BN-Act-Linear)"""
+
+    def __init__(
+            self,
+            dim_in: int,
+            dim_out: int,
+            dim_condition: int = 0,
+            layer_width: int = 512,
+            num_blocks: int = 4,
+            repeats_per_block: int = 2,
+            activation: str = 'relu',
+            use_batch_norm: bool = True,
+            use_layer_norm: bool = False,
+            dropout_rate: float = 0.0,
+            residual: bool = True,
+            adaptive_activation: bool = False,
+            conditioning: str = 'glu',
+            concat_condition_first_layer: bool = True,
+            film_with_tanh: bool = False,
+    ):
+        super().__init__()
+
+        self.concat_condition_first_layer = concat_condition_first_layer
+
+        dim_first_layer = dim_in + dim_condition if concat_condition_first_layer else dim_in
+        self.first_layer = nn.Linear(dim_first_layer, layer_width)
+
+        self.blocks = nn.ModuleList(
+            [
+                ResidualBlock(
+                    layer_width=layer_width,
+                    dim_condition=dim_condition,
+                    repeats_per_block=repeats_per_block,
+                    activation=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,
+                    film_with_tanh = film_with_tanh,
+                )
+                for _ in range(num_blocks)
+            ]
+        )
+
+        self.last_layer = nn.Linear(layer_width, dim_out)
+
+    def forward(self, x, condition=None):
+        if self.concat_condition_first_layer and condition is not None:
+            x = self.first_layer(torch.cat([x, condition], dim=-1))
+        else:
+            x = self.first_layer(x)
+
+        for block in self.blocks:
+            x = block(x, condition=condition)
+
+        x = self.last_layer(x)
+
+        return x
+
+
+class ResidualBlock(nn.Module):
+    """Residual block (BN-Act-Linear-BN-Act-Linear)"""
+
+    def __init__(
+            self,
+            layer_width: int,
+            dim_condition: int = 0,
+            repeats_per_block: int = 2,
+            activation: str = 'relu',
+            use_batch_norm: bool = False,
+            use_layer_norm: bool = False,
+            dropout_rate: float = 0.0,
+            residual: bool = True,
+            adaptive_activation: bool = False,
+            conditioning: str = 'glu',
+            film_with_tanh: bool = False,
+    ):
+        super().__init__()
+         
+        self.residual = residual
+        self.repeats_per_block = repeats_per_block
+        self.use_batch_norm = use_batch_norm
+        self.use_layer_norm = use_layer_norm
+        self.dropout_rate = dropout_rate
+        self.adaptive_activation = adaptive_activation
+        self.conditioning = conditioning
+        self.film_with_tanh = film_with_tanh
+
+        if not adaptive_activation:
+            self.activation = activation_by_name(activation)()
+        else:
+            self.activation_layers = nn.ModuleList(
+                [activation_by_name(activation)() for _ in range(repeats_per_block)]
+            )
+
+        if use_batch_norm:
+            self.batch_norm_layers = nn.ModuleList(
+                [nn.BatchNorm1d(layer_width, eps=1e-3) for _ in range(repeats_per_block)]
+             )
+        elif use_layer_norm:
+            self.layer_norm_layers = nn.ModuleList(
+                [nn.LayerNorm(layer_width) for _ in range(repeats_per_block)]
+             )
+
+        if dim_condition:
+            if conditioning == 'glu':
+                self.condition_layer = nn.Linear(dim_condition, layer_width)
+            elif conditioning == 'film':
+                self.condition_layer = nn.Linear(dim_condition, 2*layer_width)
+
+        self.linear_layers = nn.ModuleList(
+            [nn.Linear(layer_width, layer_width) for _ in range(repeats_per_block)]
+        )
+
+        if self.dropout_rate > 0:
+            self.dropout = nn.Dropout(p=dropout_rate)
+
+    def forward(self, x, condition=None):
+        x0 = x
+         
+        for i in range(self.repeats_per_block):
+            if self.use_batch_norm:
+                x = self.batch_norm_layers[i](x)
+            elif self.use_layer_norm:
+                x = self.layer_norm_layers[i](x)
+
+            if not self.adaptive_activation:
+                x = self.activation(x)
+            else:
+                x = self.activation_layers[i](x)
+
+            if self.dropout_rate > 0 and i == self.repeats_per_block - 1:
+                x = self.dropout(x)
+
+            x = self.linear_layers[i](x)
+        
+        if condition is not None:
+            if self.conditioning == 'glu':
+                x = F.glu(torch.cat((x, self.condition_layer(condition)), dim=-1), dim=-1)
+            elif self.conditioning == 'film':
+                gamma, beta = torch.chunk(self.condition_layer(condition), chunks=2, dim=-1)
+                if self.film_with_tanh:
+                    tanh = nn.Tanh()
+                    gamma, beta = tanh(gamma), tanh(beta)
+                x = x * gamma + beta
+
+        return x0 + x if self.residual else x

reflectorch/paths.py

@@ -0,0 +1,29 @@
+from typing import Union
+from pathlib import Path
+
+__all__ = [
+    'ROOT_DIR',
+    'EXP_DATA_DIR',
+    'SAVED_MODELS_DIR',
+    'SAVED_LOSSES_DIR',
+    'RUN_SCRIPTS_DIR',
+    'CONFIG_DIR',
+    'TESTS_PATH',
+    'TEST_DATA_PATH',
+    'listdir',
+]
+
+ROOT_DIR: Path = Path(__file__).parents[1]
+EXP_DATA_DIR: Path = ROOT_DIR / 'exp_data'
+SAVED_MODELS_DIR: Path = ROOT_DIR / 'saved_models'
+SAVED_LOSSES_DIR: Path = ROOT_DIR / 'saved_losses'
+RUN_SCRIPTS_DIR: Path = ROOT_DIR / 'runs'
+CONFIG_DIR: Path = ROOT_DIR / 'configs'
+TESTS_PATH: Path = ROOT_DIR / 'tests'
+TEST_DATA_PATH = TESTS_PATH / 'data'
+
+
+def listdir(path: Union[Path, str], pattern: str = '*', recursive: bool = False, *, sort_key=None, reverse=False):
+    path = Path(path)
+    func = path.rglob if recursive else path.glob
+    return sorted(list(func(pattern)), key=sort_key, reverse=reverse)

reflectorch/runs/__init__.py

@@ -0,0 +1,31 @@
+from reflectorch.runs.train import (
+    run_train,
+    run_train_on_cluster,
+    run_test_config,
+)
+
+from reflectorch.runs.utils import (
+    train_from_config,
+    get_trainer_from_config,
+    get_paths_from_config,
+    get_callbacks_from_config,
+    get_trainer_by_name,
+    get_callbacks_by_name,
+    convert_pt_to_safetensors,
+)
+
+from reflectorch.runs.config import load_config
+
+__all__ = [
+    'run_train',
+    'run_train_on_cluster',
+    'train_from_config',
+    'run_test_config',
+    'get_trainer_from_config',
+    'get_paths_from_config',
+    'get_callbacks_from_config',
+    'get_trainer_by_name',
+    'get_callbacks_by_name',
+    'convert_pt_to_safetensors',
+    'load_config',
+]

reflectorch/runs/config.py

@@ -0,0 +1,25 @@
+import yaml
+
+from pathlib import Path
+from reflectorch.paths import CONFIG_DIR
+
+
+def load_config(config_name: str, config_dir: str = None) -> dict:
+    """Loads a configuration dictionary from a YAML configuration file located in the configuration directory
+
+    Args:
+        config_name (str): name of the YAML configuration file
+        config_dir (str): path of the configuration directory
+
+    Returns:
+        dict: the configuration dictionary
+    """
+    if not config_name.endswith('.yaml'):
+        config_name = f'{config_name}.yaml'
+    config_dir = Path(config_dir) if config_dir else CONFIG_DIR
+    path = config_dir / config_name
+    with open(path, 'r') as f:
+        config = yaml.safe_load(f)
+    config['config_path'] = str(path.absolute())
+
+    return config