pg-sui 1.0.2.1__py3-none-any.whl → 1.6.8__py3-none-any.whl

pgsui/impute/unsupervised/models/autoencoder_model.py

@@ -1,634 +1,284 @@
-import logging
-import os
-import sys
-import warnings
+from typing import List, Literal
 
-# Import tensorflow with reduced warnings.
-os.environ["TF_CPP_MIN_LOG_LEVEL"] = "3"
-logging.getLogger("tensorflow").disabled = True
-warnings.filterwarnings("ignore", category=UserWarning)
+import numpy as np
+import torch
+import torch.nn as nn
+from snpio.utils.logging import LoggerManager
 
-import tensorflow as tf
+from pgsui.impute.unsupervised.loss_functions import MaskedFocalLoss
 
-# Disable can't find cuda .dll errors. Also turns of GPU support.
-tf.config.set_visible_devices([], "GPU")
 
-from tensorflow.python.util import deprecation
+class Encoder(nn.Module):
+    """The Encoder module of a standard Autoencoder.
 
-# Disable warnings and info logs.
-tf.compat.v1.logging.set_verbosity(tf.compat.v1.logging.ERROR)
-tf.get_logger().setLevel(logging.ERROR)
-
-
-# Monkey patching deprecation utils to supress warnings.
-# noinspection PyUnusedLocal
-def deprecated(
-    date, instructions, warn_once=True
-):  # pylint: disable=unused-argument
-    def deprecated_wrapper(func):
-        return func
-
-    return deprecated_wrapper
-
-
-deprecation.deprecated = deprecated
-
-from tensorflow.keras.layers import (
-    Dropout,
-    Dense,
-    Reshape,
-    Flatten,
-    LeakyReLU,
-    PReLU,
-    Activation,
-)
-
-from tensorflow.keras.regularizers import l1_l2
-from tensorflow.keras import backend as K
-
-# Custom Modules
-try:
-    from ..neural_network_methods import NeuralNetworkMethods
-except (ModuleNotFoundError, ValueError, ImportError):
-    from impute.unsupervised.neural_network_methods import NeuralNetworkMethods
-
-
-class Encoder(tf.keras.layers.Layer):
-    """VAE encoder to Encode genotypes to (z_mean, z_log_var, z)."""
+    This module defines the encoder network, which takes high-dimensional input data and maps it to a deterministic, low-dimensional latent representation. The architecture consists of a series of fully-connected hidden layers that progressively compress the flattened input data into a single latent vector, `z`.
+    """
 
     def __init__(
         self,
-        n_features,
-        num_classes,
-        latent_dim,
-        hidden_layer_sizes,
-        dropout_rate,
-        activation,
-        kernel_initializer,
-        kernel_regularizer,
-        beta=K.variable(0.0),
-        name="Encoder",
-        **kwargs,
+        n_features: int,
+        num_classes: int,
+        latent_dim: int,
+        hidden_layer_sizes: List[int],
+        dropout_rate: float,
+        activation: torch.nn.Module,
     ):
-        super(Encoder, self).__init__(name=name, **kwargs)
+        """Initializes the Encoder module.
 
-        self.beta = beta
+        This class defines the encoder network, which takes high-dimensional input data and maps it to a deterministic, low-dimensional latent representation. The architecture consists of a series of fully-connected hidden layers that progressively compress the flattened input data into a single latent vector, `z`.
 
-        self.dense2 = None
-        self.dense3 = None
-        self.dense4 = None
-        self.dense5 = None
+        Args:
+            n_features (int): The number of features in the input data (e.g., SNPs).
+            num_classes (int): The number of possible classes for each input element (e.g., 4 alleles).
+            latent_dim (int): The dimensionality of the output latent space.
+            hidden_layer_sizes (List[int]): A list of integers specifying the size of each hidden layer.
+            dropout_rate (float): The dropout rate for regularization in the hidden layers.
+            activation (torch.nn.Module): An instantiated activation function module (e.g., `nn.ReLU()`) for the hidden layers.
+        """
+        super(Encoder, self).__init__()
+        self.flatten = nn.Flatten()
 
-        # n_features * num_classes.
-        self.flatten = Flatten()
+        layers = []
+        input_dim = n_features * num_classes
+        for hidden_size in hidden_layer_sizes:
+            layers.append(nn.Linear(input_dim, hidden_size))
+            layers.append(nn.BatchNorm1d(hidden_size))
+            layers.append(nn.Dropout(dropout_rate))
+            layers.append(activation)
+            input_dim = hidden_size
 
-        self.dense1 = Dense(
-            hidden_layer_sizes[0],
-            input_shape=(n_features * num_classes,),
-            activation=activation,
-            kernel_initializer=kernel_initializer,
-            kernel_regularizer=kernel_regularizer,
-            name="Encoder1",
-        )
+        self.hidden_layers = nn.Sequential(*layers)
+        self.dense_z = nn.Linear(input_dim, latent_dim)
 
-        if len(hidden_layer_sizes) >= 2:
-            self.dense2 = Dense(
-                hidden_layer_sizes[1],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Encoder2",
-            )
-
-        if len(hidden_layer_sizes) >= 3:
-            self.dense3 = Dense(
-                hidden_layer_sizes[2],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Encoder3",
-            )
-
-        if len(hidden_layer_sizes) >= 4:
-            self.dense4 = Dense(
-                hidden_layer_sizes[3],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Encoder4",
-            )
-
-        if len(hidden_layer_sizes) == 5:
-            self.dense5 = Dense(
-                hidden_layer_sizes[4],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Encoder5",
-            )
-
-        self.dense_latent = Dense(
-            latent_dim,
-            activation=activation,
-            kernel_initializer=kernel_initializer,
-            kernel_regularizer=kernel_regularizer,
-            name="Encoder5",
-        )
+    def forward(self, x: torch.Tensor) -> torch.Tensor:
+        """Performs the forward pass through the encoder.
 
-        self.dropout_layer = Dropout(dropout_rate)
+        Args:
+            x (torch.Tensor): The input data tensor of shape `(batch_size, n_features, num_classes)`.
 
-    def call(self, inputs, training=None):
-        """Forward pass through model."""
-        x = self.flatten(inputs)
-        x = self.dense1(x)
-        x = self.dropout_layer(x, training=training)
-        if self.dense2 is not None:
-            x = self.dense2(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense3 is not None:
-            x = self.dense3(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense4 is not None:
-            x = self.dense4(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense5 is not None:
-            x = self.dense5(x)
-            x = self.dropout_layer(x, training=training)
+        Returns:
+            torch.Tensor: The latent representation `z` of shape `(batch_size, latent_dim)`.
+        """
+        x = self.flatten(x)
+        x = self.hidden_layers(x)
+        z = self.dense_z(x)
+        return z
 
-        return self.dense_latent(x)
 
+class Decoder(nn.Module):
+    """The Decoder module of a standard Autoencoder.
 
-class Decoder(tf.keras.layers.Layer):
-    """Converts the encoded vector back into the reconstructed output"""
+    This module defines the decoder network, which takes a deterministic latent vector and maps it back to the high-dimensional data space, aiming to reconstruct the original input. The architecture typically mirrors the encoder, consisting of a series of fully-connected hidden layers that progressively expand the representation, followed by a final linear layer to produce the reconstructed data.
+    """
 
     def __init__(
         self,
-        n_features,
-        num_classes,
-        latent_dim,
-        hidden_layer_sizes,
-        dropout_rate,
-        activation,
-        kernel_initializer,
-        kernel_regularizer,
-        name="Decoder",
-        **kwargs,
-    ):
-        super(Decoder, self).__init__(name=name, **kwargs)
-
-        self.dense2 = None
-        self.dense3 = None
-        self.dense4 = None
-        self.dense5 = None
-
-        self.dense1 = Dense(
-            hidden_layer_sizes[0],
-            input_shape=(latent_dim,),
-            activation=activation,
-            kernel_initializer=kernel_initializer,
-            kernel_regularizer=kernel_regularizer,
-            name="Decoder1",
-        )
-
-        if len(hidden_layer_sizes) >= 2:
-            self.dense2 = Dense(
-                hidden_layer_sizes[1],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Decoder2",
-            )
-
-        if len(hidden_layer_sizes) >= 3:
-            self.dense3 = Dense(
-                hidden_layer_sizes[2],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Decoder3",
-            )
-
-        if len(hidden_layer_sizes) >= 4:
-            self.dense4 = Dense(
-                hidden_layer_sizes[3],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Decoder4",
-            )
-
-        if len(hidden_layer_sizes) == 5:
-            self.dense5 = Dense(
-                hidden_layer_sizes[4],
-                activation=activation,
-                kernel_initializer=kernel_initializer,
-                kernel_regularizer=kernel_regularizer,
-                name="Decoder5",
-            )
-
-        # No activation for final layer.
-        self.dense_output = Dense(
-            n_features * num_classes,
-            kernel_initializer=kernel_initializer,
-            kernel_regularizer=kernel_regularizer,
-            activation=None,
-            name="Decoder6",
-        )
-
-        self.rshp = Reshape((n_features, num_classes))
-        self.dropout_layer = Dropout(dropout_rate)
-
-    def call(self, inputs, training=None):
-        """Forward pass through model."""
-        x = self.dense1(inputs)
-        x = self.dropout_layer(x, training=training)
-        if self.dense2 is not None:
-            x = self.dense2(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense3 is not None:
-            x = self.dense3(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense4 is not None:
-            x = self.dense4(x)
-            x = self.dropout_layer(x, training=training)
-        if self.dense5 is not None:
-            x = self.dense5(x)
-            x = self.dropout_layer(x, training=training)
+        n_features: int,
+        num_classes: int,
+        latent_dim: int,
+        hidden_layer_sizes: List[int],
+        dropout_rate: float,
+        activation: torch.nn.Module,
+    ) -> None:
+        """Initializes the Decoder module.
 
-        x = self.dense_output(x)
-        return self.rshp(x)
-
-
-class AutoEncoderModel(tf.keras.Model):
-    """Standard AutoEncoder model to impute missing data.
-
-    Args:
-        y (np.ndarray): Full input data.
-
-        batch_size (int, optional): Batch size to use with model. Defaults to 32.
-
-        output_shape (int, optional): Number of features in output. Defaults to None.
+        Args:
+            n_features (int): The number of features in the output data (e.g., SNPs).
+            num_classes (int): The number of possible classes for each output element (e.g., 4 alleles).
+            latent_dim (int): The dimensionality of the input latent space.
+            hidden_layer_sizes (List[int]): A list of integers specifying the size of each hidden layer (typically the reverse of the encoder's).
+            dropout_rate (float): The dropout rate for regularization in the hidden layers.
+            activation (torch.nn.Module): An instantiated activation function module (e.g., `nn.ReLU()`) for the hidden layers.
+        """
+        super(Decoder, self).__init__()
 
-        n_components (int, optional): Number of principal components to encode. Defaults to 3.
+        layers = []
+        input_dim = latent_dim
+        for hidden_size in hidden_layer_sizes:
+            layers.append(nn.Linear(input_dim, hidden_size))
+            layers.append(nn.BatchNorm1d(hidden_size))
+            layers.append(nn.Dropout(dropout_rate))
+            layers.append(activation)
+            input_dim = hidden_size
 
-        weights_initializer (str, optional): tf.keras function to use with initial weights. Defaults to 'glorot_normal'.
+        self.hidden_layers = nn.Sequential(*layers)
+        output_dim = n_features * num_classes
+        self.dense_output = nn.Linear(input_dim, output_dim)
+        self.reshape = (n_features, num_classes)
 
-        hidden_layer_sizes (str, List[int], or int, optional): Number of nodes to use in hidden layers. If List[int] is provided, must be equal in length to the number of hidden layers. If a string is provided, a calculation will be performed to automatically estimate the hidden layer sizes, with possible options including {'midpoint' or 'sqrt'}. If an integer is provided, then the provided integer will be used for all hidden layers. Defaults to 'midpoint'.
+    def forward(self, x: torch.Tensor) -> torch.Tensor:
+        """Performs the forward pass through the decoder.
 
-        num_hidden_layers (int, optional): Number of hidden layers to use in model construction. Maximum number of layers is 5. Defaults to 1.
+        Args:
+            x (torch.Tensor): The input latent tensor of shape `(batch_size, latent_dim)`.
 
-        hidden_activation (str, optional): Hidden activation function to use in hidden layers. Possible options include: {"elu", "relu", "selu", "leaky_relu", and "prelu"}. Defaults to "elu".
+        Returns:
+            torch.Tensor: The reconstructed output data of shape `(batch_size, n_features, num_classes)`.
+        """
+        x = self.hidden_layers(x)
+        x = self.dense_output(x)
+        return x.view(-1, *self.reshape)
 
-        l1_penalty (float, optional): l1_penalty to use for regularization. Defaults to 1e-6.
 
-        l2_penalty (float, optional): l2_penalty to use fo regularization. Defaults to 1e-6.
+class AutoencoderModel(nn.Module):
+    """A standard Autoencoder (AE) model for imputation.
 
-        dropout_rate (float, optional): Dropout rate to use for Dropout() layer. Defaults to 0.2.
+    This class combines an `Encoder` and a `Decoder` to form a standard autoencoder. The model is trained to learn a compressed, low-dimensional representation of the input data and then reconstruct it as accurately as possible. It is particularly useful for unsupervised dimensionality reduction and data imputation.
 
-        sample_weight (numpy.ndarray, optional): Sample weight matrix for weighting class imbalance. Should be of shape (n_samples, n_features). Defaults to None.
+    **Model Architecture and Objective:**
 
-        num_classes (int, optional): Number of classes in multiclass predictions. Defaults to 3.
+    The autoencoder consists of two parts: an encoder, $f_{\theta}$, and a decoder, $g_{\phi}$.
+        1.  The **encoder** maps the input data $x$ to a latent representation $z$:
+            $$
+            z = f_{\theta}(x)
+            $$
+        2.  The **decoder** reconstructs the data $\hat{x}$ from the latent representation:
+            $$
+            \hat{x} = g_{\phi}(z)
+            $$
 
-    Raises:
-        ValueError: Maximum number of hidden layers (5) was exceeded.
+    The model is trained by minimizing a reconstruction loss, $L(x, \hat{x})$, which measures the dissimilarity between the original input and the reconstructed output. This implementation uses a `MaskedFocalLoss` to handle missing values and class imbalance effectively.
     """
 
     def __init__(
         self,
-        y,
-        batch_size=32,
-        output_shape=None,
-        n_components=3,
-        weights_initializer="glorot_normal",
-        hidden_layer_sizes="midpoint",
-        num_hidden_layers=1,
-        hidden_activation="elu",
-        l1_penalty=1e-6,
-        l2_penalty=1e-6,
-        dropout_rate=0.2,
-        sample_weight=None,
-        missing_mask=None,
-        num_classes=3,
+        n_features: int,
+        prefix: str,
+        *,
+        num_classes: int = 4,
+        hidden_layer_sizes: List[int] | np.ndarray = [128, 64],
+        latent_dim: int = 2,
+        dropout_rate: float = 0.2,
+        activation: Literal["relu", "elu", "selu", "leaky_relu"] = "relu",
+        gamma: float = 2.0,
+        device: Literal["cpu", "gpu", "mps"] = "cpu",
+        verbose: bool = False,
+        debug: bool = False,
     ):
-        super(AutoEncoderModel, self).__init__()
-
-        self.total_loss_tracker = tf.keras.metrics.Mean(name="total_loss")
-        self.binary_accuracy_tracker = tf.keras.metrics.Mean(
-            name="binary_accuracy"
-        )
+        """Initializes the AutoencoderModel.
 
-        self.nn_ = NeuralNetworkMethods()
-
-        self._y = y
-        self._batch_idx = 0
-        self._batch_size = batch_size
-        self._sample_weight = sample_weight
-        self._missing_mask = missing_mask
-
-        # y_train[1] dimension.
-        self.n_features = output_shape
-        n_features = self.n_features
-
-        self.n_components = n_components
-        self.weights_initializer = weights_initializer
-        self.hidden_layer_sizes = hidden_layer_sizes
-        self.num_hidden_layers = num_hidden_layers
-        self.hidden_activation = hidden_activation
-        self.l1_penalty = l1_penalty
-        self.l2_penalty = l2_penalty
-        self.dropout_rate = dropout_rate
-        self.sample_weight = sample_weight
+        Args:
+            n_features (int): The number of features in the input data (e.g., SNPs).
+            prefix (str): A prefix used for logging.
+            num_classes (int): The number of possible classes for each input element. Defaults to 4.
+            hidden_layer_sizes (List[int] | np.ndarray): A list of integers specifying the size of each hidden layer in the encoder. The decoder will use the reverse of this structure. Defaults to [128, 64].
+            latent_dim (int): The dimensionality of the latent space (bottleneck). Defaults to 2.
+            dropout_rate (float): The dropout rate for regularization in hidden layers. Defaults to 0.2.
+            activation (Literal["relu", "elu", "selu", "leaky_relu"]): The name of the activation function for hidden layers. Defaults to "relu".
+            gamma (float): The focusing parameter for the focal loss function. Defaults to 2.0.
+            device (Literal["cpu", "gpu", "mps"]): The device to run the model on.
+            verbose (bool): If True, enables detailed logging.
+            debug (bool): If True, enables debug mode.
+        """
+        super(AutoencoderModel, self).__init__()
         self.num_classes = num_classes
+        self.gamma = gamma
+        self.device = device
 
-        nn = NeuralNetworkMethods()
-
-        hidden_layer_sizes = nn.validate_hidden_layers(
-            self.hidden_layer_sizes, self.num_hidden_layers
+        logman = LoggerManager(
+            name=__name__, prefix=prefix, verbose=verbose, debug=debug
         )
+        self.logger = logman.get_logger()
 
-        hidden_layer_sizes = nn.get_hidden_layer_sizes(
-            n_features, self.n_components, hidden_layer_sizes, vae=True
-        )
-
-        hidden_layer_sizes = [h * self.num_classes for h in hidden_layer_sizes]
-
-        if self.l1_penalty == 0.0 and self.l2_penalty == 0.0:
-            kernel_regularizer = None
-        else:
-            kernel_regularizer = l1_l2(self.l1_penalty, self.l2_penalty)
-
-        kernel_initializer = self.weights_initializer
-
-        if self.hidden_activation.lower() == "leaky_relu":
-            activation = LeakyReLU(alpha=0.01)
-
-        elif self.hidden_activation.lower() == "prelu":
-            activation = PReLU()
-
-        elif self.hidden_activation.lower() == "selu":
-            activation = "selu"
-            kernel_initializer = "lecun_normal"
-
-        else:
-            activation = self.hidden_activation
-
-        if num_hidden_layers > 5:
-            raise ValueError(
-                f"The maximum number of hidden layers is 5, but got "
-                f"{num_hidden_layers}"
-            )
+        activation_module = self._resolve_activation(activation)
 
         self.encoder = Encoder(
             n_features,
             self.num_classes,
-            self.n_components,
+            latent_dim,
             hidden_layer_sizes,
-            self.dropout_rate,
-            activation,
-            kernel_initializer,
-            kernel_regularizer,
+            dropout_rate,
+            activation_module,
         )
 
-        hidden_layer_sizes.reverse()
-
+        decoder_layer_sizes = list(reversed(hidden_layer_sizes))
         self.decoder = Decoder(
             n_features,
             self.num_classes,
-            self.n_components,
-            hidden_layer_sizes,
-            self.dropout_rate,
-            activation,
-            kernel_initializer,
-            kernel_regularizer,
-        )
-
-        self.activation = Activation("sigmoid")
-
-    def call(self, inputs, training=None):
-        """Forward pass through model."""
-        x = self.encoder(inputs)
-        x = self.decoder(x)
-        return self.activation(x)
-
-    def model(self):
-        """To allow model.summary().summar() to be called."""
-        x = tf.keras.Input(shape=(self.n_features, self.num_classes))
-        return tf.keras.Model(inputs=[x], outputs=self.call(x))
-
-    def set_model_outputs(self):
-        """Set expected model outputs."""
-        x = tf.keras.Input(shape=(self.n_features, self.num_classes))
-        model = tf.keras.Model(inputs=[x], outputs=self.call(x))
-        self.outputs = model.outputs
-
-    @property
-    def metrics(self):
-        return [
-            self.total_loss_tracker,
-            self.binary_accuracy_tracker,
-        ]
-
-    @tf.function
-    def train_step(self, data):
-        y = self._y
-
-        (
-            y_true,
-            sample_weight,
-            missing_mask,
-        ) = self.nn_.prepare_training_batches(
-            y,
-            y,
-            self._batch_size,
-            self._batch_idx,
-            True,
-            self.n_components,
-            self._sample_weight,
-            self._missing_mask,
-            ubp=False,
-        )
-
-        if sample_weight is not None:
-            sample_weight_masked = tf.convert_to_tensor(
-                sample_weight[~missing_mask], dtype=tf.float32
-            )
-        else:
-            sample_weight_masked = None
-
-        y_true_masked = tf.boolean_mask(
-            tf.convert_to_tensor(y_true, dtype=tf.float32),
-            tf.reduce_any(tf.not_equal(y_true, -1), axis=2),
-        )
-
-        with tf.GradientTape() as tape:
-            reconstruction = self(y_true, training=True)
-
-            y_pred_masked = tf.boolean_mask(
-                reconstruction, tf.reduce_any(tf.not_equal(y_true, -1), axis=2)
-            )
-
-            # Returns binary crossentropy loss.
-            reconstruction_loss = self.compiled_loss(
-                y_true_masked,
-                y_pred_masked,
-                sample_weight=sample_weight_masked,
-            )
-
-            regularization_loss = sum(self.losses)
-
-            total_loss = reconstruction_loss + regularization_loss
-
-        grads = tape.gradient(total_loss, self.trainable_weights)
-        self.optimizer.apply_gradients(zip(grads, self.trainable_weights))
-
-        ### NOTE: If you get the error, "'tuple' object has no attribute
-        ### 'rank', then convert y_true to a tensor object."
-        self.total_loss_tracker.update_state(total_loss)
-        self.binary_accuracy_tracker.update_state(
-            tf.keras.metrics.binary_accuracy(y_true_masked, y_pred_masked)
+            latent_dim,
+            decoder_layer_sizes,
+            dropout_rate,
+            activation_module,
         )
 
-        return {
-            "loss": self.total_loss_tracker.result(),
-            "binary_accuracy": self.binary_accuracy_tracker.result(),
-        }
-
-    @tf.function
-    def test_step(self, data):
-        """Custom evaluation loop for one step (=batch) in a single epoch.
-
-        This function will evaluate on a batch of samples (rows), which can be adjusted with the ``batch_size`` parameter from the estimator.
+    def forward(self, x: torch.Tensor) -> torch.Tensor:
+        """Performs the forward pass through the full Autoencoder model.
 
         Args:
-            data (Tuple[tf.EagerTensor, tf.EagerTensor]): Input tensorflow tensors of shape (batch_size, n_components) and (batch_size, n_features, num_classes).
+            x (torch.Tensor): The input data tensor of shape `(batch_size, n_features, num_classes)`.
 
         Returns:
-            Dict[str, float]: History object that gets returned from fit(). Contains the loss and any metrics specified in compile().
+            torch.Tensor: The reconstructed data tensor.
         """
-        y = self._y
-
-        (
-            y_true,
-            sample_weight,
-            missing_mask,
-        ) = self.nn_.prepare_training_batches(
-            y,
-            y,
-            self._batch_size,
-            self._batch_idx,
-            True,
-            self.n_components,
-            self._sample_weight,
-            self._missing_mask,
-            ubp=False,
-        )
-
-        if sample_weight is not None:
-            sample_weight_masked = tf.convert_to_tensor(
-                sample_weight[~missing_mask], dtype=tf.float32
-            )
-        else:
-            sample_weight_masked = None
+        z = self.encoder(x)
+        reconstruction = self.decoder(z)
+        return reconstruction
 
-        y_true_masked = tf.boolean_mask(
-            tf.convert_to_tensor(y_true, dtype=tf.float32),
-            tf.reduce_any(tf.not_equal(y_true, -1), axis=2),
-        )
-
-        reconstruction = self(y_true, training=False)
-
-        y_pred_masked = tf.boolean_mask(
-            reconstruction, tf.reduce_any(tf.not_equal(y_true, -1), axis=2)
-        )
-
-        reconstruction_loss = self.compiled_loss(
-            y_true_masked,
-            y_pred_masked,
-            sample_weight=sample_weight_masked,
-        )
-
-        regularization_loss = sum(self.losses)
-
-        total_loss = reconstruction_loss + regularization_loss
+    def compute_loss(
+        self,
+        reconstruction: torch.Tensor,
+        y: torch.Tensor,
+        mask: torch.Tensor | None = None,
+        class_weights: torch.Tensor | None = None,
+    ) -> torch.Tensor:
+        """Computes the reconstruction loss for the Autoencoder model.
 
-        ### NOTE: If you get the error, "'tuple' object has no attribute
-        ### 'rank', then convert y_true to a tensor object."
-        self.total_loss_tracker.update_state(total_loss)
-        self.binary_accuracy_tracker.update_state(
-            tf.keras.metrics.binary_accuracy(y_true_masked, y_pred_masked)
-        )
+        This method calculates the reconstruction loss using a masked focal loss, which is suitable for categorical data with missing values and class imbalance.
 
-        return {
-            "loss": self.total_loss_tracker.result(),
-            "binary_accuracy": self.binary_accuracy_tracker.result(),
-        }
+        Args:
+            reconstruction (torch.Tensor): The reconstructed output (logits) from the model's forward pass.
+            y (torch.Tensor): The target data tensor, expected to be one-hot encoded. It is converted to class indices internally for the loss calculation.
+            mask (torch.Tensor | None): A boolean mask to exclude missing values from the loss calculation.
+            class_weights (torch.Tensor | None): Weights to apply to each class in the loss to handle imbalance.
 
-    @property
-    def batch_size(self):
-        """Batch (=step) size per epoch.
-        :noindex:
+        Returns:
+            torch.Tensor: The computed scalar loss value.
         """
-        return self._batch_size
+        if class_weights is None:
+            class_weights = torch.ones(self.num_classes, device=y.device)
 
-    @property
-    def batch_idx(self):
-        """Current batch (=step) index.
-        :noindex:
-        """
-        return self._batch_idx
+        logits_flat = reconstruction.view(-1, self.num_classes)
+        targets_flat = torch.argmax(y, dim=-1).view(-1)
 
-    @property
-    def y(self):
-        """Full input dataset.
-        :noindex:
-        """
-        return self._y
+        if mask is None:
+            mask_flat = torch.ones_like(targets_flat, dtype=torch.bool)
+        else:
+            mask_flat = mask.view(-1)
 
-    @property
-    def missing_mask(self):
-        """Missing mask of shape (y.shape[0], y.shape[1])
-        :noindex:
-        """
-        return self._missing_mask
+        criterion = MaskedFocalLoss(alpha=class_weights, gamma=self.gamma)
 
-    @property
-    def sample_weight(self):
-        """Sample weights of shape (y.shape[0], y.shape[1])
-        :noindex:
-        """
-        return self._sample_weight
+        reconstruction_loss = criterion(
+            logits_flat.to(self.device),
+            targets_flat.to(self.device),
+            valid_mask=mask_flat.to(self.device),
+        )
 
-    @batch_size.setter
-    def batch_size(self, value):
-        """Set batch_size parameter.
-        :noindex:
-        """
-        self._batch_size = int(value)
+        return reconstruction_loss
 
-    @batch_idx.setter
-    def batch_idx(self, value):
-        """Set current batch (=step) index.
-        :noindex:
-        """
-        self._batch_idx = int(value)
+    def _resolve_activation(
+        self, activation: Literal["relu", "elu", "leaky_relu", "selu"]
+    ) -> torch.nn.Module:
+        """Resolves an activation function module from a string name.
 
-    @y.setter
-    def y(self, value):
-        """Set y after each epoch.
-        :noindex:
-        """
-        self._y = value
+        Args:
+            activation (Literal["relu", "elu", "leaky_relu", "selu"]): The name of the activation function.
 
-    @missing_mask.setter
-    def missing_mask(self, value):
-        """Set missing_mask after each epoch.
-        :noindex:
-        """
-        self._missing_mask = value
+        Returns:
+            torch.nn.Module: The corresponding instantiated PyTorch activation function module.
 
-    @sample_weight.setter
-    def sample_weight(self, value):
-        """Set sample_weight after each epoch.
-        :noindex:
+        Raises:
+            ValueError: If the provided activation name is not supported.
         """
-        self._sample_weight = value
+        activation = activation.lower()
+        if activation == "relu":
+            return nn.ReLU()
+        elif activation == "elu":
+            return nn.ELU()
+        elif activation in ("leaky_relu", "leakyrelu"):
+            return nn.LeakyReLU()
+        elif activation == "selu":
+            return nn.SELU()
+        else:
+            msg = f"Activation {activation} not supported."
+            self.logger.error(msg)
+            raise ValueError(msg)