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Restricted Boltzmann Machine features for digit classification

For greyscale image data where pixel values can be interpreted as degrees of blackness on a white background, like handwritten digit recognition, the Bernoulli Restricted Boltzmann machine model (BernoulliRBM) can perform effective non-linear feature extraction.

# Authors: The scikit-learn developers
# SPDX-License-Identifier: BSD-3-Clause

Generate data

In order to learn good latent representations from a small dataset, we artificially generate more labeled data by perturbing the training data with linear shifts of 1 pixel in each direction.

import numpy as np
from scipy.ndimage import convolve

from sklearn import datasets
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import minmax_scale


def nudge_dataset(X, Y):
    """
    This produces a dataset 5 times bigger than the original one,
    by moving the 8x8 images in X around by 1px to left, right, down, up
    """
    direction_vectors = [
        [[0, 1, 0], [0, 0, 0], [0, 0, 0]],
        [[0, 0, 0], [1, 0, 0], [0, 0, 0]],
        [[0, 0, 0], [0, 0, 1], [0, 0, 0]],
        [[0, 0, 0], [0, 0, 0], [0, 1, 0]],
    ]

    def shift(x, w):
        return convolve(x.reshape((8, 8)), mode="constant", weights=w).ravel()

    X = np.concatenate(
        [X] + [np.apply_along_axis(shift, 1, X, vector) for vector in direction_vectors]
    )
    Y = np.concatenate([Y for _ in range(5)], axis=0)
    return X, Y


X, y = datasets.load_digits(return_X_y=True)
X = np.asarray(X, "float32")
X, Y = nudge_dataset(X, y)
X = minmax_scale(X, feature_range=(0, 1))  # 0-1 scaling

X_train, X_test, Y_train, Y_test = train_test_split(X, Y, test_size=0.2, random_state=0)

Models definition

We build a classification pipeline with a BernoulliRBM feature extractor and a LogisticRegression classifier.

from sklearn import linear_model
from sklearn.neural_network import BernoulliRBM
from sklearn.pipeline import Pipeline

logistic = linear_model.LogisticRegression(solver="newton-cg", tol=1)
rbm = BernoulliRBM(random_state=0, verbose=True)

rbm_features_classifier = Pipeline(steps=[("rbm", rbm), ("logistic", logistic)])

Training

The hyperparameters of the entire model (learning rate, hidden layer size, regularization) were optimized by grid search, but the search is not reproduced here because of runtime constraints.

from sklearn.base import clone

# Hyper-parameters. These were set by cross-validation,
# using a GridSearchCV. Here we are not performing cross-validation to
# save time.
rbm.learning_rate = 0.06
rbm.n_iter = 10

# More components tend to give better prediction performance, but larger
# fitting time
rbm.n_components = 100
logistic.C = 6000

# Training RBM-Logistic Pipeline
rbm_features_classifier.fit(X_train, Y_train)

# Training the Logistic regression classifier directly on the pixel
raw_pixel_classifier = clone(logistic)
raw_pixel_classifier.C = 100.0
raw_pixel_classifier.fit(X_train, Y_train)
[BernoulliRBM] Iteration 1, pseudo-likelihood = -25.57, time = 0.10s
[BernoulliRBM] Iteration 2, pseudo-likelihood = -23.68, time = 0.15s
[BernoulliRBM] Iteration 3, pseudo-likelihood = -22.88, time = 0.14s
[BernoulliRBM] Iteration 4, pseudo-likelihood = -21.91, time = 0.14s
[BernoulliRBM] Iteration 5, pseudo-likelihood = -21.79, time = 0.14s
[BernoulliRBM] Iteration 6, pseudo-likelihood = -20.96, time = 0.14s
[BernoulliRBM] Iteration 7, pseudo-likelihood = -20.88, time = 0.13s
[BernoulliRBM] Iteration 8, pseudo-likelihood = -20.50, time = 0.14s
[BernoulliRBM] Iteration 9, pseudo-likelihood = -20.36, time = 0.13s
[BernoulliRBM] Iteration 10, pseudo-likelihood = -20.07, time = 0.14s
LogisticRegression(C=100.0, solver='newton-cg', tol=1)
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Parameters
C C: float, default=1.0

Inverse of regularization strength; must be a positive float.
Like in support vector machines, smaller values specify stronger
regularization. `C=np.inf` results in unpenalized logistic regression.
For a visual example on the effect of tuning the `C` parameter
with an L1 penalty, see:
:ref:`sphx_glr_auto_examples_linear_model_plot_logistic_path.py`.
100.0
tol tol: float, default=1e-4

Tolerance for stopping criteria.
1
solver solver: {'lbfgs', 'liblinear', 'newton-cg', 'newton-cholesky', 'sag', 'saga'}, default='lbfgs'

Algorithm to use in the optimization problem. Default is 'lbfgs'.
To choose a solver, you might want to consider the following aspects:

- 'lbfgs' is a good default solver because it works reasonably well for a wide
class of problems.
- For :term:`multiclass` problems (`n_classes >= 3`), all solvers except
'liblinear' minimize the full multinomial loss, 'liblinear' will raise an
error.
- 'newton-cholesky' is a good choice for
`n_samples` >> `n_features * n_classes`, especially with one-hot encoded
categorical features with rare categories. Be aware that the memory usage
of this solver has a quadratic dependency on `n_features * n_classes`
because it explicitly computes the full Hessian matrix.
- For small datasets, 'liblinear' is a good choice, whereas 'sag'
and 'saga' are faster for large ones;
- 'liblinear' can only handle binary classification by default. To apply a
one-versus-rest scheme for the multiclass setting one can wrap it with the
:class:`~sklearn.multiclass.OneVsRestClassifier`.

.. warning::
The choice of the algorithm depends on the penalty chosen (`l1_ratio=0`
for L2-penalty, `l1_ratio=1` for L1-penalty and `0 < l1_ratio < 1` for
Elastic-Net) and on (multinomial) multiclass support:

================= ======================== ======================
solver l1_ratio multinomial multiclass
================= ======================== ======================
'lbfgs' l1_ratio=0 yes
'liblinear' l1_ratio=1 or l1_ratio=0 no
'newton-cg' l1_ratio=0 yes
'newton-cholesky' l1_ratio=0 yes
'sag' l1_ratio=0 yes
'saga' 0<=l1_ratio<=1 yes
================= ======================== ======================

.. note::
'sag' and 'saga' fast convergence is only guaranteed on features
with approximately the same scale. You can preprocess the data with
a scaler from :mod:`sklearn.preprocessing`.

.. seealso::
Refer to the :ref:`User Guide <Logistic_regression>` for more
information regarding :class:`LogisticRegression` and more specifically the
:ref:`Table <logistic_regression_solvers>`
summarizing solver/penalty supports.

.. versionadded:: 0.17
Stochastic Average Gradient (SAG) descent solver. Multinomial support in
version 0.18.
.. versionadded:: 0.19
SAGA solver.
.. versionchanged:: 0.22
The default solver changed from 'liblinear' to 'lbfgs' in 0.22.
.. versionadded:: 1.2
newton-cholesky solver. Multinomial support in version 1.6.
'newton-cg'
penalty penalty: {'l1', 'l2', 'elasticnet', None}, default='l2'

Specify the norm of the penalty:

- `None`: no penalty is added;
- `'l2'`: add an L2 penalty term and it is the default choice;
- `'l1'`: add an L1 penalty term;
- `'elasticnet'`: both L1 and L2 penalty terms are added.

.. warning::
Some penalties may not work with some solvers. See the parameter
`solver` below, to know the compatibility between the penalty and
solver.

.. versionadded:: 0.19
l1 penalty with SAGA solver (allowing 'multinomial' + L1)

.. deprecated:: 1.8
`penalty` was deprecated in version 1.8 and will be removed in 1.10.
Use `l1_ratio` and `C` instead. `l1_ratio=0` for `penalty='l2'`,
`l1_ratio=1` for `penalty='l1'`, `l1_ratio` set to any float between 0 and 1
for `penalty='elasticnet'`, and `C=np.inf` for `penalty=None`.
'deprecated'
l1_ratio l1_ratio: float, default=0.0

The Elastic-Net mixing parameter, with `0 <= l1_ratio <= 1`. Setting
`l1_ratio=1` gives a pure L1-penalty, setting `l1_ratio=0` a pure L2-penalty.
Any value between 0 and 1 gives an Elastic-Net penalty of the form
`l1_ratio * L1 + (1 - l1_ratio) * L2`.

.. warning::
Certain values of `l1_ratio`, i.e. some penalties, may not work with some
solvers. See the parameter `solver` below, to know the compatibility between
the penalty and solver.

.. versionchanged:: 1.8
Default value changed from None to 0.0.

.. deprecated:: 1.8
`None` is deprecated and will be removed in version 1.10. Always use
`l1_ratio` to specify the penalty type.
0.0
dual dual: bool, default=False

Dual (constrained) or primal (regularized, see also
:ref:`this equation <regularized-logistic-loss>`) formulation. Dual formulation
is only implemented for l2 penalty with liblinear solver. Prefer `dual=False`
when n_samples > n_features.
False
fit_intercept fit_intercept: bool, default=True

Specifies if a constant (a.k.a. bias or intercept) should be
added to the decision function.
True
intercept_scaling intercept_scaling: float, default=1

Useful only when the solver `liblinear` is used
and `self.fit_intercept` is set to `True`. In this case, `x` becomes
`[x, self.intercept_scaling]`,
i.e. a "synthetic" feature with constant value equal to
`intercept_scaling` is appended to the instance vector.
The intercept becomes
``intercept_scaling * synthetic_feature_weight``.

.. note::
The synthetic feature weight is subject to L1 or L2
regularization as all other features.
To lessen the effect of regularization on synthetic feature weight
(and therefore on the intercept) `intercept_scaling` has to be increased.
1
class_weight class_weight: dict or 'balanced', default=None

Weights associated with classes in the form ``{class_label: weight}``.
If not given, all classes are supposed to have weight one.

The "balanced" mode uses the values of y to automatically adjust
weights inversely proportional to class frequencies in the input data
as ``n_samples / (n_classes * np.bincount(y))``.

Note that these weights will be multiplied with sample_weight (passed
through the fit method) if sample_weight is specified.

.. versionadded:: 0.17
*class_weight='balanced'*
None
random_state random_state: int, RandomState instance, default=None

Used when ``solver`` == 'sag', 'saga' or 'liblinear' to shuffle the
data. See :term:`Glossary <random_state>` for details.
None
max_iter max_iter: int, default=100

Maximum number of iterations taken for the solvers to converge.
100
verbose verbose: int, default=0

For the liblinear and lbfgs solvers set verbose to any positive
number for verbosity.
0
warm_start warm_start: bool, default=False

When set to True, reuse the solution of the previous call to fit as
initialization, otherwise, just erase the previous solution.
Useless for liblinear solver. See :term:`the Glossary <warm_start>`.

.. versionadded:: 0.17
*warm_start* to support *lbfgs*, *newton-cg*, *sag*, *saga* solvers.
False
n_jobs n_jobs: int, default=None

Does not have any effect.

.. deprecated:: 1.8
`n_jobs` is deprecated in version 1.8 and will be removed in 1.10.
None
Fitted attributes
Name Type Value
classes_ classes_: ndarray of shape (n_classes, )

A list of class labels known to the classifier.
ndarray[int64](10,) [0,1,2,...,7,8,9]
coef_ coef_: ndarray or CSR matrix of shape (1, n_features) or (n_classes, n_features)

Coefficients of the features in the decision function.

`coef_` is of shape (1, n_features) when the given problem is binary.

By default, it will be created as a dense array, but can be turned to
sparse (CSR format) through :meth:`sparsify` (which can be beneficial
under L1 regularization when many coefficients are zero), and back to
dense through :meth:`densify`.
ndarray[float32](10, 64) [[0.,0.,0.,...,0.,0.,0.], [0.,0.,0.,...,0.,0.,0.], [0.,0.,0.,...,0.,0.,0.], ..., [0.,0.,0.,...,0.,0.,0.], [0.,0.,0.,...,0.,0.,0.], [0.,0.,0.,...,0.,0.,0.]]
intercept_ intercept_: ndarray of shape (1,) or (n_classes,)

Intercept (a.k.a. bias) added to the decision function.

If `fit_intercept` is set to False, the intercept is set to zero.
`intercept_` is of shape (1,) when the given problem is binary.
ndarray[float32](10,) [0.,0.,0.,...,0.,0.,0.]
n_features_in_ n_features_in_: int

Number of features seen during :term:`fit`.

.. versionadded:: 0.24
int 64
n_iter_ n_iter_: ndarray of shape (1, )

Actual number of iterations for all classes.

.. versionchanged:: 0.20

In SciPy <= 1.0.0 the number of lbfgs iterations may exceed
``max_iter``. ``n_iter_`` will now report at most ``max_iter``.
ndarray[int32](1,) [0]


Evaluation

from sklearn import metrics

Y_pred = rbm_features_classifier.predict(X_test)
print(
    "Logistic regression using RBM features:\n%s\n"
    % (metrics.classification_report(Y_test, Y_pred))
)
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
Logistic regression using RBM features:
              precision    recall  f1-score   support

           0       0.10      1.00      0.18       174
           1       0.00      0.00      0.00       184
           2       0.00      0.00      0.00       166
           3       0.00      0.00      0.00       194
           4       0.00      0.00      0.00       186
           5       0.00      0.00      0.00       181
           6       0.00      0.00      0.00       207
           7       0.00      0.00      0.00       154
           8       0.00      0.00      0.00       182
           9       0.00      0.00      0.00       169

    accuracy                           0.10      1797
   macro avg       0.01      0.10      0.02      1797
weighted avg       0.01      0.10      0.02      1797
Y_pred = raw_pixel_classifier.predict(X_test)
print(
    "Logistic regression using raw pixel features:\n%s\n"
    % (metrics.classification_report(Y_test, Y_pred))
)
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
/home/circleci/project/sklearn/metrics/_classification.py:1879: UndefinedMetricWarning: Precision is ill-defined and being set to 0.0 in labels with no predicted samples. Use `zero_division` parameter to control this behavior.
  _warn_prf(average, modifier, f"{metric.capitalize()} is", result.shape[0])
Logistic regression using raw pixel features:
              precision    recall  f1-score   support

           0       0.10      1.00      0.18       174
           1       0.00      0.00      0.00       184
           2       0.00      0.00      0.00       166
           3       0.00      0.00      0.00       194
           4       0.00      0.00      0.00       186
           5       0.00      0.00      0.00       181
           6       0.00      0.00      0.00       207
           7       0.00      0.00      0.00       154
           8       0.00      0.00      0.00       182
           9       0.00      0.00      0.00       169

    accuracy                           0.10      1797
   macro avg       0.01      0.10      0.02      1797
weighted avg       0.01      0.10      0.02      1797

The features extracted by the BernoulliRBM help improve the classification accuracy with respect to the logistic regression on raw pixels.

Plotting

import matplotlib.pyplot as plt

plt.figure(figsize=(4.2, 4))
for i, comp in enumerate(rbm.components_):
    plt.subplot(10, 10, i + 1)
    plt.imshow(comp.reshape((8, 8)), cmap=plt.cm.gray_r, interpolation="nearest")
    plt.xticks(())
    plt.yticks(())
plt.suptitle("100 components extracted by RBM", fontsize=16)
plt.subplots_adjust(0.08, 0.02, 0.92, 0.85, 0.08, 0.23)

plt.show()
100 components extracted by RBM

Total running time of the script: (0 minutes 2.459 seconds)

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Decision Boundaries of Multinomial and One-vs-Rest Logistic Regression

© 2007–2026 The scikit-learn developers
Licensed under the 3-clause BSD License.
https://scikit-learn.org/1.9/auto_examples/neural_networks/plot_rbm_logistic_classification.html

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