gnn (version 0.0-4)

FNN: Generative Moment Matching Network

Description

Constructor for a generative feedforward neural network (FNN) model, an object of S3 class "gnn_FNN".

Usage

FNN(dim = c(2, 2), activation = c(rep("relu", length(dim) - 2), "sigmoid"),
    batch.norm = FALSE, dropout.rate = 0, loss.fun = "MMD", n.GPU = 0, ...)

Value

FNN() returns an object of S3 class "gnn_FNN"

with components

model

FNN model (a keras object inheriting from the R6 classes "keras.engine.training.Model", "keras.engine.network.Network", "keras.engine.base_layer.Layer" and "python.builtin.object", or a raw object).

type

character string indicating the type of model.

dim

see above.

activation

see above.

batch.norm

see above.

dropout.rate

see above.

n.param

number of trainable, non-trainable and total number of parameters.

loss.type

type of loss function (character).

n.train

number of training samples (NA_integer_ unless trained).

batch.size

batch size (NA_integer_ unless trained).

n.epoch

number of epochs (NA_integer_ unless trained).

loss

numeric(n.epoch) containing the loss function values per epoch.

time

object of S3 class "proc_time" containing the training time (if trained).

prior

matrix containing a (sub-)sample of the prior (if trained).

Arguments

dim

integer vector of length at least two, giving the dimensions of the input layer, the hidden layer(s) (if any) and the output layer (in this order).

activation

character vector of length length(dim) - 1 specifying the activation functions for all hidden layers and the output layer (in this order); note that the input layer does not have an activation function.

loss.fun

loss function specified as character or function.

batch.norm

logical indicating whether batch normalization layers are to be added after each hidden layer.

dropout.rate

numeric value in [0,1] specifying the fraction of input to be dropped; see the rate parameter of layer_dropout(). Note that only if positive, dropout layers are added after each hidden layer.

n.GPU

non-negative integer specifying the number of GPUs available if the GPU version of TensorFlow is installed. If positive, a (special) multiple GPU model for data parallelism is instantiated. Note that for multi-layer perceptrons on a few GPUs, this model does not yet yield any scale-up computational factor (in fact, currently very slightly negative scale-ups are likely due to overhead costs).

...

additional arguments passed to loss().

Author

Marius Hofert and Avinash Prasad

Details

The S3 class "gnn_FNN" is a subclass of the S3 class "gnn_GNN" which in turn is a subclass of "gnn_Model".

References

Li, Y., Swersky, K. and Zemel, R. (2015). Generative moment matching networks. Proceedings of Machine Learning Research, 37 (International Conference on Maching Learning), 1718--1727. See http://proceedings.mlr.press/v37/li15.pdf (2019-08-24)

Dziugaite, G. K., Roy, D. M. and Ghahramani, Z. (2015). Training generative neural networks via maximum mean discrepancy optimization. AUAI Press, 258--267. See http://www.auai.org/uai2015/proceedings/papers/230.pdf (2019-08-24)

Hofert, M., Prasad, A. and Zhu, M. (2020). Quasi-random sampling for multivariate distributions via generative neural networks. Journal of Computational and Graphical Statistics, tools:::Rd_expr_doi("10.1080/10618600.2020.1868302").

Hofert, M., Prasad, A. and Zhu, M. (2020). Multivariate time-series modeling with generative neural networks. See https://arxiv.org/abs/2002.10645.

Hofert, M. Prasad, A. and Zhu, M. (2020). Applications of multivariate quasi-random sampling with neural networks. See https://arxiv.org/abs/2012.08036.

Examples

if(TensorFlow_available()) { # rather restrictive (due to R-Forge, winbuilder)
library(gnn) # for being standalone

## Training data
d <- 2 # bivariate case
P <- matrix(0.9, nrow = d, ncol = d); diag(P) <- 1 # correlation matrix
ntrn <- 60000 # training data sample size
set.seed(271)
library(nvmix)
X <- abs(rNorm(ntrn, scale = P)) # componentwise absolute values of N(0,P) sample

## Plot a subsample
m <- 2000 # subsample size for plots
opar <- par(pty = "s")
plot(X[1:m,], xlab = expression(X[1]), ylab = expression(X[2])) # plot |X|
U <- apply(X, 2, rank) / (ntrn + 1) # pseudo-observations of |X|
plot(U[1:m,], xlab = expression(U[1]), ylab = expression(U[2])) # visual check

## Model 1: A basic feedforward neural network (FNN) with MSE loss function
fnn <- FNN(c(d, 300, d), loss.fun = "MSE") # define the FNN
fnn <- fitGNN(fnn, data = U, n.epoch = 40) # train with batch optimization
plot(fnn, kind = "loss") # plot the loss after each epoch

## Model 2: A GMMN (FNN with MMD loss function)
gmmn <- FNN(c(d, 300, d)) # define the GMMN (initialized with random weights)
## For training we need to use a mini-batch optimization (batch size < nrow(U)).
## For a fair comparison (same number of gradient steps) to NN, we use 500
## samples (25% = 4 gradient steps/epoch) for 10 epochs for GMMN.
library(keras) # for callback_early_stopping()
## We monitor the loss function and stop earlier if the loss function
## over the last patience-many epochs has changed by less than min_delta
## in absolute value. Then we keep the weights that led to the smallest
## loss seen throughout training.
gmmn <- fitGNN(gmmn, data = U, batch.size = 500, n.epoch = 10,
               callbacks = callback_early_stopping(monitor = "loss",
                                                   min_delta = 1e-3, patience = 3,
                                                   restore_best_weights = TRUE))
plot(gmmn, kind = "loss") # plot the loss after each epoch
## Note:
## - Obviously, in a real-world application, batch.size and n.epoch
##   should be (much) larger (e.g., batch.size = 5000, n.epoch = 300).
## - Training is not reproducible (due to keras).

## Model 3: A FNN with CvM loss function
fnnCvM <- FNN(c(d, 300, d), loss.fun = "CvM")
fnnCvM <- fitGNN(fnnCvM, data = U, batch.size = 500, n.epoch = 10,
                 callbacks = callback_early_stopping(monitor = "loss",
                                                     min_delta = 1e-3, patience = 3,
                                                     restore_best_weights = TRUE))
plot(fnnCvM, kind = "loss") # plot the loss after each epoch

## Sample from the different models
set.seed(271)
V.fnn <- rGNN(fnn, size = m)
set.seed(271)
V.gmmn <- rGNN(gmmn, size = m)
set.seed(271)
V.fnnCvM <- rGNN(fnnCvM, size = m)

## Joint plot of training subsample with GMMN PRNs. Clearly, the MSE
## cannot be used to learn the distribution correctly.
layout(matrix(1:4, ncol = 2, byrow = TRUE))
plot(U[1:m,], xlab = expression(U[1]), ylab = expression(U[2]), cex = 0.2)
mtext("Training subsample", side = 4, line = 0.4, adj = 0)
plot(V.fnn,    xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with MSE loss", side = 4, line = 0.4, adj = 0)
plot(V.gmmn,  xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with MMD loss", side = 4, line = 0.4, adj = 0)
plot(V.fnnCvM,    xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with CvM loss", side = 4, line = 0.4, adj = 0)

## Joint plot of training subsample with GMMN QRNs
library(qrng) # for sobol()
V.fnn.    <- rGNN(fnn,    size = m, method = "sobol", randomize = "Owen")
V.gmmn.   <- rGNN(gmmn,   size = m, method = "sobol", randomize = "Owen")
V.fnnCvM. <- rGNN(fnnCvM, size = m, method = "sobol", randomize = "Owen")
plot(U[1:m,], xlab = expression(U[1]), ylab = expression(U[2]), cex = 0.2)
mtext("Training subsample", side = 4, line = 0.4, adj = 0)
plot(V.fnn., xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with MSE loss", side = 4, line = 0.4, adj = 0)
plot(V.gmmn., xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with MMD loss", side = 4, line = 0.4, adj = 0)
plot(V.fnnCvM., xlab = expression(V[1]), ylab = expression(V[2]), cex = 0.2)
mtext("Trained NN with CvM loss", side = 4, line = 0.4, adj = 0)
layout(1)
par(opar)
}