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import numpy as np
from nose.tools import assert_true
from nose.tools import assert_equal
from scipy.sparse import csr_matrix
from numpy.testing import assert_almost_equal, assert_array_almost_equal
from sklearn.utils.testing import assert_less, assert_greater
from ... import datasets
from .. import PCA
from .. import ProbabilisticPCA
from .. import RandomizedPCA
from ..pca import _assess_dimension_
from ..pca import _infer_dimension_
iris = datasets.load_iris()
def test_pca():
"""PCA on dense arrays"""
pca = PCA(n_components=2)
X = iris.data
X_r = pca.fit(X).transform(X)
np.testing.assert_equal(X_r.shape[1], 2)
X_r2 = pca.fit_transform(X)
assert_array_almost_equal(X_r, X_r2)
pca = PCA()
pca.fit(X)
assert_almost_equal(pca.explained_variance_ratio_.sum(), 1.0, 3)
X_r = pca.transform(X)
X_r2 = pca.fit_transform(X)
assert_array_almost_equal(X_r, X_r2)
def test_whitening():
"""Check that PCA output has unit-variance"""
rng = np.random.RandomState(0)
n_samples = 100
n_features = 80
n_components = 30
rank = 50
# some low rank data with correlated features
X = np.dot(rng.randn(n_samples, rank),
np.dot(np.diag(np.linspace(10.0, 1.0, rank)),
rng.randn(rank, n_features)))
# the component-wise variance of the first 50 features is 3 times the
# mean component-wise variance of the remaingin 30 features
X[:, :50] *= 3
assert_equal(X.shape, (n_samples, n_features))
# the component-wise variance is thus highly varying:
assert_almost_equal(X.std(axis=0).std(), 43.9, 1)
# whiten the data while projecting to the lower dim subspace
pca = PCA(n_components=n_components, whiten=True)
# test fit_transform
X_whitened = pca.fit_transform(X)
assert_equal(X_whitened.shape, (n_samples, n_components))
X_whitened2 = pca.transform(X)
assert_array_almost_equal(X_whitened, X_whitened2)
# all output component have unit variances
assert_almost_equal(X_whitened.std(axis=0), np.ones(n_components))
# is possible to project on the low dim space without scaling by the
# singular values
pca = PCA(n_components=n_components, whiten=False).fit(X)
X_unwhitened = pca.transform(X)
assert_equal(X_unwhitened.shape, (n_samples, n_components))
# in that case the output components still have varying variances
assert_almost_equal(X_unwhitened.std(axis=0).std(), 74.1, 1)
def test_pca_check_projection():
"""Test that the projection of data is correct"""
rng = np.random.RandomState(0)
n, p = 100, 3
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5])
Xt = 0.1 * rng.randn(1, p) + np.array([3, 4, 5])
Yt = PCA(n_components=2).fit(X).transform(Xt)
Yt /= np.sqrt((Yt ** 2).sum())
assert_almost_equal(np.abs(Yt[0][0]), 1., 1)
def test_pca_inverse():
"""Test that the projection of data can be inverted"""
rng = np.random.RandomState(0)
n, p = 50, 3
X = rng.randn(n, p) # spherical data
X[:, 1] *= .00001 # make middle component relatively small
X += [5, 4, 3] # make a large mean
# same check that we can find the original data from the transformed
# signal (since the data is almost of rank n_components)
pca = PCA(n_components=2).fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
assert_almost_equal(X, Y_inverse, decimal=3)
# same as above with whitening (approximate reconstruction)
pca = PCA(n_components=2, whiten=True)
pca.fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
relative_max_delta = (np.abs(X - Y_inverse) / np.abs(X).mean()).max()
assert_almost_equal(relative_max_delta, 0.11, decimal=2)
def test_randomized_pca_check_projection():
"""Test that the projection by RandomizedPCA on dense data is correct"""
rng = np.random.RandomState(0)
n, p = 100, 3
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5])
Xt = 0.1 * rng.randn(1, p) + np.array([3, 4, 5])
Yt = RandomizedPCA(n_components=2, random_state=0).fit(X).transform(Xt)
Yt /= np.sqrt((Yt ** 2).sum())
assert_almost_equal(np.abs(Yt[0][0]), 1., 1)
def test_randomized_pca_check_list():
"""Test that the projection by RandomizedPCA on list data is correct"""
X = [[1.0, 0.0], [0.0, 1.0]]
X_transformed = RandomizedPCA(n_components=1, random_state=0
).fit(X).transform(X)
assert_equal(X_transformed.shape, (2, 1))
assert_almost_equal(X_transformed.mean(), 0.00, 2)
assert_almost_equal(X_transformed.std(), 0.71, 2)
def test_randomized_pca_inverse():
"""Test that RandomizedPCA is inversible on dense data"""
rng = np.random.RandomState(0)
n, p = 50, 3
X = rng.randn(n, p) # spherical data
X[:, 1] *= .00001 # make middle component relatively small
X += [5, 4, 3] # make a large mean
# same check that we can find the original data from the transformed signal
# (since the data is almost of rank n_components)
pca = RandomizedPCA(n_components=2, random_state=0).fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
assert_almost_equal(X, Y_inverse, decimal=2)
# same as above with whitening (approximate reconstruction)
pca = RandomizedPCA(n_components=2, whiten=True,
random_state=0).fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
relative_max_delta = (np.abs(X - Y_inverse) / np.abs(X).mean()).max()
assert_almost_equal(relative_max_delta, 0.11, decimal=2)
def test_sparse_randomized_pca_check_projection():
"""Test that the projection by RandomizedPCA on sparse data is correct"""
rng = np.random.RandomState(0)
n, p = 100, 3
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5])
X = csr_matrix(X)
Xt = 0.1 * rng.randn(1, p) + np.array([3, 4, 5])
Xt = csr_matrix(Xt)
Yt = RandomizedPCA(n_components=2, random_state=0).fit(X).transform(Xt)
Yt /= np.sqrt((Yt ** 2).sum())
np.testing.assert_almost_equal(np.abs(Yt[0][0]), 1., 1)
def test_sparse_randomized_pca_inverse():
"""Test that RandomizedPCA is inversible on sparse data"""
rng = np.random.RandomState(0)
n, p = 50, 3
X = rng.randn(n, p) # spherical data
X[:, 1] *= .00001 # make middle component relatively small
# no large means because the sparse version of randomized pca does not do
# centering to avoid breaking the sparsity
X = csr_matrix(X)
# same check that we can find the original data from the transformed signal
# (since the data is almost of rank n_components)
pca = RandomizedPCA(n_components=2, random_state=0).fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
assert_almost_equal(X.todense(), Y_inverse, decimal=2)
# same as above with whitening (approximate reconstruction)
pca = RandomizedPCA(n_components=2, whiten=True,
random_state=0).fit(X)
Y = pca.transform(X)
Y_inverse = pca.inverse_transform(Y)
relative_max_delta = (np.abs(X.todense() - Y_inverse)
/ np.abs(X).mean()).max()
# XXX: this does not seam to work as expected:
assert_almost_equal(relative_max_delta, 0.91, decimal=2)
def test_pca_dim():
"""Check automated dimensionality setting"""
rng = np.random.RandomState(0)
n, p = 100, 5
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5, 1, 2])
pca = PCA(n_components='mle').fit(X)
assert_equal(pca.n_components, 1)
def test_infer_dim_1():
"""TODO: explain what this is testing
Or at least use explicit variable names...
"""
n, p = 1000, 5
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1 + rng.randn(n, 1) * np.array([3, 4, 5, 1, 2]) \
+ np.array([1, 0, 7, 4, 6])
pca = PCA(n_components=p)
pca.fit(X)
spect = pca.explained_variance_
ll = []
for k in range(p):
ll.append(_assess_dimension_(spect, k, n, p))
ll = np.array(ll)
assert_greater(ll[1], ll.max() - .01 * n)
def test_infer_dim_2():
"""TODO: explain what this is testing
Or at least use explicit variable names...
"""
n, p = 1000, 5
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5, 1, 2])
X[10:20] += np.array([6, 0, 7, 2, -1])
pca = PCA(n_components=p)
pca.fit(X)
spect = pca.explained_variance_
assert_greater(_infer_dimension_(spect, n, p), 1)
def test_infer_dim_3():
"""
"""
n, p = 100, 5
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1
X[:10] += np.array([3, 4, 5, 1, 2])
X[10:20] += np.array([6, 0, 7, 2, -1])
X[30:40] += 2 * np.array([-1, 1, -1, 1, -1])
pca = PCA(n_components=p)
pca.fit(X)
spect = pca.explained_variance_
assert_greater(_infer_dimension_(spect, n, p), 2)
def test_infer_dim_by_explained_variance():
X = iris.data
pca = PCA(n_components=0.95)
pca.fit(X)
assert_equal(pca.n_components, 2)
pca = PCA(n_components=0.01)
pca.fit(X)
assert_equal(pca.n_components, 1)
rng = np.random.RandomState(0)
# more features than samples
X = rng.rand(5, 20)
pca = PCA(n_components=.5).fit(X)
assert_equal(pca.n_components, 2)
def test_probabilistic_pca_1():
"""Test that probabilistic PCA yields a reasonable score"""
n, p = 1000, 3
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1 + np.array([3, 4, 5])
ppca = ProbabilisticPCA(n_components=2)
ppca.fit(X)
ll1 = ppca.score(X)
h = 0.5 * np.log(2 * np.pi * np.exp(1) / 0.1 ** 2) * p
np.testing.assert_almost_equal(ll1.mean() / h, 1, 0)
def test_probabilistic_pca_2():
"""Test that probabilistic PCA correctly separated different datasets"""
n, p = 100, 3
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1 + np.array([3, 4, 5])
ppca = ProbabilisticPCA(n_components=2)
ppca.fit(X)
ll1 = ppca.score(X)
ll2 = ppca.score(rng.randn(n, p) * .2 + np.array([3, 4, 5]))
assert_greater(ll1.mean(), ll2.mean())
def test_probabilistic_pca_3():
"""The homoscedastic model should work slightly worth
than the heteroscedastic one in over-fitting condition
"""
n, p = 100, 3
rng = np.random.RandomState(0)
X = rng.randn(n, p) * .1 + np.array([3, 4, 5])
ppca = ProbabilisticPCA(n_components=2)
ppca.fit(X)
ll1 = ppca.score(X)
ppca.fit(X, homoscedastic=False)
ll2 = ppca.score(X)
assert_less(ll1.mean(), ll2.mean())
def test_probabilistic_pca_4():
"""Check that ppca select the right model"""
n, p = 200, 3
rng = np.random.RandomState(0)
Xl = (rng.randn(n, p) + rng.randn(n, 1) * np.array([3, 4, 5])
+ np.array([1, 0, 7]))
Xt = (rng.randn(n, p) + rng.randn(n, 1) * np.array([3, 4, 5])
+ np.array([1, 0, 7]))
ll = np.zeros(p)
for k in range(p):
ppca = ProbabilisticPCA(n_components=k)
ppca.fit(Xl)
ll[k] = ppca.score(Xt).mean()
assert_true(ll.argmax() == 1)
if __name__ == '__main__':
import nose
nose.run(argv=['', __file__])
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