Skip to contents

Generalized Neural Network Trainer

Source: R/generalized-nn-fit.R, R/generalized-nn-fitds.R
gen-nn-train.Rd

[Experimental]

train_nn() is a generic function for training neural networks with a user-defined architecture via nn_arch(). Dispatch is based on the class of x.

Recommended workflow:

  1. Define architecture with nn_arch() (optional).

  2. Train with train_nn().

  3. Predict with predict.nn_fit().

All methods delegate to a shared implementation core after preprocessing. When architecture = NULL, the model falls back to a plain feed-forward neural network (nn_linear) architecture.

Usage

train_nn(x, ...)

# S3 method for class 'matrix'
train_nn(
  x,
  y,
  hidden_neurons = NULL,
  activations = NULL,
  output_activation = NULL,
  bias = TRUE,
  arch = NULL,
  architecture = NULL,
  early_stopping = NULL,
  epochs = 100,
  batch_size = 32,
  penalty = 0,
  mixture = 0,
  learn_rate = 0.001,
  optimizer = "adam",
  optimizer_args = list(),
  loss = "mse",
  validation_split = 0,
  device = NULL,
  verbose = FALSE,
  cache_weights = FALSE,
  ...
)

# S3 method for class 'data.frame'
train_nn(
  x,
  y,
  hidden_neurons = NULL,
  activations = NULL,
  output_activation = NULL,
  bias = TRUE,
  arch = NULL,
  architecture = NULL,
  early_stopping = NULL,
  epochs = 100,
  batch_size = 32,
  penalty = 0,
  mixture = 0,
  learn_rate = 0.001,
  optimizer = "adam",
  optimizer_args = list(),
  loss = "mse",
  validation_split = 0,
  device = NULL,
  verbose = FALSE,
  cache_weights = FALSE,
  ...
)

# S3 method for class 'formula'
train_nn(
  x,
  data,
  hidden_neurons = NULL,
  activations = NULL,
  output_activation = NULL,
  bias = TRUE,
  arch = NULL,
  architecture = NULL,
  early_stopping = NULL,
  epochs = 100,
  batch_size = 32,
  penalty = 0,
  mixture = 0,
  learn_rate = 0.001,
  optimizer = "adam",
  optimizer_args = list(),
  loss = "mse",
  validation_split = 0,
  device = NULL,
  verbose = FALSE,
  cache_weights = FALSE,
  ...
)

# Default S3 method
train_nn(x, ...)

# S3 method for class 'dataset'
train_nn(
  x,
  y = NULL,
  hidden_neurons = NULL,
  activations = NULL,
  output_activation = NULL,
  bias = TRUE,
  arch = NULL,
  architecture = NULL,
  flatten_input = NULL,
  epochs = 100,
  batch_size = 32,
  penalty = 0,
  mixture = 0,
  learn_rate = 0.001,
  optimizer = "adam",
  optimizer_args = list(),
  loss = "mse",
  validation_split = 0,
  device = NULL,
  verbose = FALSE,
  cache_weights = FALSE,
  n_classes = NULL,
  ...
)

Arguments

x

Dispatch is based on its current class:

  • matrix: used directly, no preprocessing applied.

  • data.frame: preprocessed via hardhat::mold(). y may be a vector / factor / matrix of outcomes, or a formula describing the outcome–predictor relationship within x.

  • formula: combined with data and preprocessed via hardhat::mold().

  • dataset: a torch dataset object; batched via torch::dataloader(). This is the recommended interface for sequence/time-series and image data.

...

Additional arguments passed to specific methods.

y

Outcome data. Interpretation depends on the method:

  • For the matrix and data.frame methods: a numeric vector, factor, or matrix of outcomes.

  • For the data.frame method only: alternatively a formula of the form outcome ~ predictors, evaluated against x.

  • Ignored when x is a formula (outcome is taken from the formula) or a dataset (labels come from the dataset itself).

hidden_neurons

Integer vector specifying the number of neurons in each hidden layer, e.g. c(128, 64) for two hidden layers. When NULL or missing, no hidden layers are used and the model reduces to a single linear mapping from inputs to outputs.

activations

Activation function specification(s) for the hidden layers. See act_funs() for supported values. Recycled if a single value is given.

output_activation

Optional activation function for the output layer. Defaults to NULL (no activation / linear output).

bias

Logical. Whether to include bias terms in each layer. Default TRUE.

arch

Backward-compatible alias for architecture. If both are supplied, they must be identical.

architecture

An nn_arch() object specifying a custom architecture. Default NULL, which falls back to a standard feed-forward network.

early_stopping

An early_stop() object specifying early stopping behaviour, or NULL (default) to disable early stopping. When supplied, training halts if the monitored metric does not improve by at least min_delta for patience consecutive epochs. Example: early_stopping = early_stop(patience = 10).

epochs

Positive integer. Number of full passes over the training data. Default 100.

batch_size

Positive integer. Number of samples per mini-batch. Default 32.

penalty

Non-negative numeric. L1/L2 regularization strength (lambda). Default 0 (no regularization).

mixture

Numeric in [0, 1]. Elastic net mixing parameter: 0 = pure ridge (L2), 1 = pure lasso (L1). Default 0.

learn_rate

Positive numeric. Step size for the optimizer. Default 0.001.

optimizer

Character. Optimizer algorithm. One of "adam" (default), "sgd", or "rmsprop".

optimizer_args

Named list of additional arguments forwarded to the optimizer constructor (e.g. list(momentum = 0.9) for SGD). Default list().

loss

Character or function. Loss function used during training. Built-in options: "mse" (default), "mae", "cross_entropy", or "bce". For classification tasks with a scalar label, "cross_entropy" is set automatically. Alternatively, supply a custom function or formula with signature function(input, target) returning a scalar torch_tensor.

validation_split

Numeric in [0, 1). Proportion of training data held out for validation. Default 0 (no validation set).

device

Character. Compute device: "cpu", "cuda", or "mps". Default NULL, which auto-detects the best available device.

verbose

Logical. If TRUE, prints loss (and validation loss) at regular intervals during training. Default FALSE.

cache_weights

Logical. If TRUE, stores a copy of the trained weight matrices in the returned object under $cached_weights. Default FALSE.

data

A data frame. Required when x is a formula.

flatten_input

Logical or NULL (dataset method only). Controls whether each batch/sample is flattened to 2D before entering the model. NULL (default) auto-selects: TRUE when architecture = NULL, otherwise FALSE.

n_classes

Positive integer. Number of output classes. Required when x is a dataset with scalar (classification) labels; ignored otherwise.

Value

An object of class "nn_fit", or one of its subclasses:

  • c("nn_fit_tab", "nn_fit") — returned by the data.frame and formula methods

  • c("nn_fit_ds", "nn_fit") — returned by the dataset method

All subclasses share a common structure. See Details for the list of components.

Details

The returned "nn_fit" object is a named list with the following components:

  • model — the trained torch::nn_module object

  • fitted — fitted values on the training data (or NULL for dataset fits)

  • loss_history — numeric vector of per-epoch training loss, trimmed to actual epochs run (relevant when early stopping is active)

  • val_loss_history — per-epoch validation loss, or NULL if validation_split = 0

  • n_epochs — number of epochs actually trained

  • stopped_epoch — epoch at which early stopping triggered, or NA if training ran to completion

  • hidden_neurons, activations, output_activation — architecture spec

  • penalty, mixture — regularization settings

  • feature_names, response_name — variable names (tabular methods only)

  • no_x, no_y — number of input features and output nodes

  • is_classification — logical flag

  • y_levels, n_classes — class labels and count (classification only)

  • device — device the model is on

  • cached_weights — list of weight matrices, or NULL

  • arch — the nn_arch object used, or NULL

Supported tasks and input formats

train_nn() is task-agnostic by design (no explicit task argument). Task behavior is determined by your input interface and architecture:

  • Tabular data: use matrix, data.frame, or formula methods.

  • Time series: use the dataset method with per-item tensors shaped as [time, features] (or your preferred convention) and a recurrent architecture via nn_arch().

  • Image classification: use the dataset method with per-item tensors shaped for your first layer (commonly [channels, height, width] for torch::nn_conv2d). If your source arrays are channel-last, reorder in the dataset or via input_transform.

Matrix method

When x is supplied as a raw numeric matrix, no preprocessing is applied. Data is passed directly to the shared train_nn_impl core.

Data frame method

When x is a data frame, y can be either a vector / factor / matrix of outcomes, or a formula of the form outcome ~ predictors evaluated against x. Preprocessing is handled by hardhat::mold().

Formula method

When x is a formula, data must be supplied as the data frame against which the formula is evaluated. Preprocessing is handled by hardhat::mold().

Dataset method (train_nn.dataset())

Trains a neural network directly on a torch dataset object. Batching and lazy loading are handled by torch::dataloader(), making this method well-suited for large datasets that do not fit entirely in memory.

Architecture configuration follows the same contract as other train_nn() methods via architecture = nn_arch(...) (or legacy arch = ...). For non-tabular inputs (time series, images), set flatten_input = FALSE to preserve tensor dimensions expected by recurrent or convolutional layers.

Labels are taken from the second element of each dataset item (i.e. dataset[[i]][[2]]), so y is ignored. When the label is a scalar tensor, a classification task is assumed and n_classes must be supplied. The loss is automatically switched to "cross_entropy" in that case.

Fitted values are not cached in the returned object. Use predict.nn_fit_ds() with newdata to obtain predictions after training.

See also

predict.nn_fit(), nn_arch(), act_funs(), early_stop()

Examples

# \donttest{
if (torch::torch_is_installed()) {
    # Matrix method — no preprocessing
    model = train_nn(
        x = as.matrix(iris[, 2:4]),
        y = iris$Sepal.Length,
        hidden_neurons = c(64, 32),
        activations = "relu",
        epochs = 50
    )

    # Data frame method — y as a vector
    model = train_nn(
        x = iris[, 2:4],
        y = iris$Sepal.Length,
        hidden_neurons = c(64, 32),
        activations = "relu",
        epochs = 50
    )

    # Data frame method — y as a formula evaluated against x
    model = train_nn(
        x = iris,
        y = Sepal.Length ~ . - Species,
        hidden_neurons = c(64, 32),
        activations = "relu",
        epochs = 50
    )

    # Formula method — outcome derived from formula
    model = train_nn(
        x = Sepal.Length ~ .,
        data = iris[, 1:4],
        hidden_neurons = c(64, 32),
        activations = "relu",
        epochs = 50
    )

    # No hidden layers — linear model
    model = train_nn(
        x = Sepal.Length ~ .,
        data = iris[, 1:4],
        epochs = 50
    )

    # Architecture object (nn_arch -> train_nn)
    mlp_arch = nn_arch(nn_name = "mlp_model")
    model = train_nn(
        x = Sepal.Length ~ .,
        data = iris[, 1:4],
        hidden_neurons = c(64, 32),
        activations = "relu",
        architecture = mlp_arch,
        epochs = 50
    )

    # Custom layer architecture
    custom_linear = torch::nn_module(
        "CustomLinear",
        initialize = function(in_features, out_features, bias = TRUE) {
            self$layer = torch::nn_linear(in_features, out_features, bias = bias)
        },
        forward = function(x) self$layer(x)
    )
    custom_arch = nn_arch(
        nn_name = "custom_linear_mlp",
        nn_layer = ~ custom_linear
    )
    model = train_nn(
        x = Sepal.Length ~ .,
        data = iris[, 1:4],
        hidden_neurons = c(16, 8),
        activations = "relu",
        architecture = custom_arch,
        epochs = 50
    )

    # With early stopping
    model = train_nn(
        x = Sepal.Length ~ .,
        data = iris[, 1:4],
        hidden_neurons = c(64, 32),
        activations = "relu",
        epochs = 200,
        validation_split = 0.2,
        early_stopping = early_stop(patience = 10)
    )
}
# }

# \donttest{
if (torch::torch_is_installed()) {
    # torch dataset method — labels come from the dataset itself
    iris_cls_dataset = torch::dataset(
        name = "iris_cls_dataset",
        
        initialize = function(data = iris) {
            self$x = torch::torch_tensor(
                as.matrix(data[, 1:4]),
                dtype = torch::torch_float32()
            )
            # Species is a factor; convert to integer (1-indexed -> keep as-is for cross_entropy)
            self$y = torch::torch_tensor(
                as.integer(data$Species),
                dtype = torch::torch_long()
            )
        },
        
        .getitem = function(i) {
            list(self$x[i, ], self$y[i])
        },
        
        .length = function() {
            self$x$size(1)
        }
    )()
    
    model_nn_ds = train_nn(
        x = iris_cls_dataset,
        hidden_neurons = c(32, 10),
        activations = "relu",
        epochs = 80,
        batch_size = 16,
        learn_rate = 0.01,
        n_classes = 3, # Iris dataset has only 3 species
        validation_split = 0.2,
        verbose = TRUE
    )
    
    pred_nn = predict(model_nn_ds, iris_cls_dataset)
    class_preds = c("Setosa", "Versicolor", "Virginica")[predict(model_nn_ds, iris_cls_dataset)]
    
    # Confusion Matrix
    table(actual = iris$Species, pred = class_preds)
}
#> → Auto-detected classification task. Using cross_entropy loss.
#> ℹ Using device: cpu
#> Epoch 8/80 - Loss: 0.1559 - Val Loss: 0.2030
#> Epoch 16/80 - Loss: 0.0720 - Val Loss: 0.0962
#> Epoch 24/80 - Loss: 0.0572 - Val Loss: 0.1113
#> Epoch 32/80 - Loss: 0.0717 - Val Loss: 0.1640
#> Epoch 40/80 - Loss: 0.0465 - Val Loss: 0.1896
#> Epoch 48/80 - Loss: 0.0502 - Val Loss: 0.1241
#> Epoch 56/80 - Loss: 0.0690 - Val Loss: 0.0907
#> Epoch 64/80 - Loss: 0.0582 - Val Loss: 0.1276
#> Epoch 72/80 - Loss: 0.1211 - Val Loss: 0.1251
#> Epoch 80/80 - Loss: 0.0884 - Val Loss: 0.0856
#>             pred
#> actual       Setosa Versicolor Virginica
#>   setosa         50          0         0
#>   versicolor      0         49         1
#>   virginica       0          2        48
# }