vaeac: Initializing a vaeac model

In NorskRegnesentral/shapr: Prediction Explanation with Dependence-Aware Shapley Values

Initializing a vaeac model

Description

Class that represents a vaeac model, i.e., the class creates the neural networks in the vaeac model and necessary training utilities. For more details, see Olsen et al. (2022).

Usage

vaeac(
  one_hot_max_sizes,
  width = 32,
  depth = 3,
  latent_dim = 8,
  activation_function = torch::nn_relu,
  skip_conn_layer = FALSE,
  skip_conn_masked_enc_dec = FALSE,
  batch_normalization = FALSE,
  paired_sampling = FALSE,
  mask_generator_name = c("mcar_mask_generator", "specified_prob_mask_generator",
    "specified_masks_mask_generator"),
  masking_ratio = 0.5,
  mask_gen_coalitions = NULL,
  mask_gen_coalitions_prob = NULL,
  sigma_mu = 10000,
  sigma_sigma = 1e-04
)

Arguments

one_hot_max_sizes	A torch tensor of dimension n_features containing the one hot sizes of the n_features features. That is, if the ith feature is a categorical feature with 5 levels, then one_hot_max_sizes[i] = 5. While the size for continuous features can either be 0 or 1.
width	Integer. The number of neurons in each hidden layer in the neural networks of the masked encoder, full encoder, and decoder.
depth	Integer. The number of hidden layers in the neural networks of the masked encoder, full encoder, and decoder.
latent_dim	Integer. The number of dimensions in the latent space.
activation_function	A torch::nn_module() representing an activation function such as, e.g., torch::nn_relu(), torch::nn_leaky_relu(), torch::nn_selu(), torch::nn_sigmoid().
skip_conn_layer	Boolean. If we are to use skip connections in each layer, see skip_connection(). If TRUE, then we add the input to the outcome of each hidden layer, so the output becomes X + \operatorname{activation}(WX + b). I.e., the identity skip connection.
skip_conn_masked_enc_dec	Boolean. If we are to apply concatenating skip connections between the layers in the masked encoder and decoder. The first layer of the masked encoder will be linked to the last layer of the decoder. The second layer of the masked encoder will be linked to the second to last layer of the decoder, and so on.
batch_normalization	Boolean. If we are to use batch normalization after the activation function. Note that if skip_conn_layer is TRUE, then the normalization is done after the adding from the skip connection. I.e, we batch normalize the whole quantity X + activation(WX + b).
paired_sampling	Boolean. If we are doing paired sampling. I.e., if we are to include both coalition S and \bar{S} when we sample coalitions during training for each batch.
mask_generator_name	String specifying the type of mask generator to use. Need to be one of 'mcar_mask_generator', 'specified_prob_mask_generator', and 'specified_masks_mask_generator'.
masking_ratio	Scalar. The probability for an entry in the generated mask to be 1 (masked). Not used if mask_gen_coalitions is given.
mask_gen_coalitions	Matrix containing the different coalitions to learn. Must be given if mask_generator_name = 'specified_masks_mask_generator'.
mask_gen_coalitions_prob	Numerics containing the probabilities for sampling each mask in mask_gen_coalitions. Array containing the probabilities for sampling the coalitions in mask_gen_coalitions.
sigma_mu	Numeric representing a hyperparameter in the normal-gamma prior used on the masked encoder, see Section 3.3.1 in Olsen et al. (2022).
sigma_sigma	Numeric representing a hyperparameter in the normal-gamma prior used on the masked encoder, see Section 3.3.1 in Olsen et al. (2022).

Details

This function builds neural networks (masked encoder, full encoder, decoder) given the list of one-hot max sizes of the features in the dataset we use to train the vaeac model, and the provided parameters for the networks. It also creates, e.g., reconstruction log probability function, methods for sampling from the decoder output, and then use these to create the vaeac model.

Value

Returns a list with the neural networks of the masked encoder, full encoder, and decoder together with reconstruction log probability function, optimizer constructor, sampler from the decoder output, mask generator, batch size, and scale factor for the stability of the variational lower bound optimization.

make_observed

Apply Mask to Batch to Create Observed Batch

Compute the parameters for the latent normal distributions inferred by the encoders. If only_masked_encoder = TRUE, then we only compute the latent normal distributions inferred by the masked encoder. This is used in the deployment phase when we do not have access to the full observation.

make_latent_distributions

Compute the Latent Distributions Inferred by the Encoders

Compute the parameters for the latent normal distributions inferred by the encoders. If only_masked_encoder = TRUE, then we only compute the latent normal distributions inferred by the masked encoder. This is used in the deployment phase when we do not have access to the full observation.

masked_encoder_regularization

Compute the Regularizes for the Latent Distribution Inferred by the Masked Encoder.

The masked encoder (prior) distribution regularization in the latent space. This is used to compute the extended variational lower bound used to train vaeac, see Section 3.3.1 in Olsen et al. (2022). Though regularizing prevents the masked encoder distribution parameters from going to infinity, the model usually doesn't diverge even without this regularization. It almost doesn't affect learning process near zero with default regularization parameters which are recommended to be used.

batch_vlb

Compute the Variational Lower Bound for the Observations in the Batch

Compute differentiable lower bound for the given batch of objects and mask. Used as the (negative) loss function for training the vaeac model.

batch_iwae

Compute IWAE log likelihood estimate with K samples per object.

Technically, it is differentiable, but it is recommended to use it for evaluation purposes inside torch.no_grad in order to save memory. With torch::with_no_grad() the method almost doesn't require extra memory for very large K. The method makes K independent passes through decoder network, so the batch size is the same as for training with batch_vlb. IWAE is an abbreviation for Importance Sampling Estimator:

\log p_{\theta, \psi}(x|y) \approx \log {\frac{1}{K} \sum_{i=1}^K [p_\theta(x|z_i, y) * p_\psi(z_i|y) / q_\phi(z_i|x,y)]} \newline = \log {\sum_{i=1}^K \exp(\log[p_\theta(x|z_i, y) * p_\psi(z_i|y) / q_\phi(z_i|x,y)])} - \log(K) \newline = \log {\sum_{i=1}^K \exp(\log[p_\theta(x|z_i, y)] + \log[p_\psi(z_i|y)] - \log[q_\phi(z_i|x,y)])} - \log(K) \newline = \operatorname{logsumexp}(\log[p_\theta(x|z_i, y)] + \log[p_\psi(z_i|y)] - \log[q_\phi(z_i|x,y)]) - \log(K) \newline = \operatorname{logsumexp}(\text{rec}\_\text{loss} + \text{prior}\_\text{log}\_\text{prob} - \text{proposal}\_\text{log}\_\text{prob}) - \log(K),

where z_i \sim q_\phi(z|x,y).

generate_samples_params

Generate the parameters of the generative distributions for samples from the batch.

The function makes K latent representation for each object from the batch, send these latent representations through the decoder to obtain the parameters for the generative distributions. I.e., means and variances for the normal distributions (continuous features) and probabilities for the categorical distribution (categorical features). The second axis is used to index samples for an object, i.e. if the batch shape is [n x D1 x D2], then the result shape is [n x K x D1 x D2]. It is better to use it inside torch::with_no_grad() in order to save memory. With torch::with_no_grad() the method doesn't require extra memory except the memory for the result.

Author(s)

Lars Henry Berge Olsen

NorskRegnesentral/shapr documentation built on April 19, 2024, 1:19 p.m.