def test_incremental_pca_inverse():
# Test that the projection of data can be inverted.
rng = np.random.RandomState(1999)
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)
ipca = IncrementalPCA(n_components=2, batch_size=10).fit(X)
Y = ipca.transform(X)
Y_inverse = ipca.inverse_transform(Y)
assert_almost_equal(X, Y_inverse, decimal=3)
def variable_batch_size_comparison(data):
batch_sizes = [i.astype(int) for i in np.linspace(data.shape[0] // 10,
data.shape[0], num=10)]
for n_components in [i.astype(int) for i in
np.linspace(data.shape[1] // 10,
data.shape[1], num=4)]:
all_times = defaultdict(list)
all_errors = defaultdict(list)
pca = PCA(n_components=n_components)
rpca = PCA(n_components=n_components, svd_solver='randomized',
random_state=1999)
results_dict = {k: benchmark(est, data) for k, est in [('pca', pca),
('rpca', rpca)]}
# Create flat baselines to compare the variation over batch size
all_times['pca'].extend([results_dict['pca']['time']] *
len(batch_sizes))
all_errors['pca'].extend([results_dict['pca']['error']] *
len(batch_sizes))
all_times['rpca'].extend([results_dict['rpca']['time']] *
len(batch_sizes))
all_errors['rpca'].extend([results_dict['rpca']['error']] *
len(batch_sizes))
for batch_size in batch_sizes:
ipca = IncrementalPCA(n_components=n_components,
batch_size=batch_size)
results_dict = {k: benchmark(est, data) for k, est in [('ipca',
ipca)]}
all_times['ipca'].append(results_dict['ipca']['time'])
all_errors['ipca'].append(results_dict['ipca']['error'])
plot_batch_times(all_times, n_components, batch_sizes, data)
plot_batch_errors(all_errors, n_components, batch_sizes, data)
def test_incremental_pca_against_pca_iris():
# Test that IncrementalPCA and PCA are approximate (to a sign flip).
X = iris.data
Y_pca = PCA(n_components=2).fit_transform(X)
Y_ipca = IncrementalPCA(n_components=2, batch_size=25).fit_transform(X)
assert_almost_equal(np.abs(Y_pca), np.abs(Y_ipca), 1)
def test_incremental_pca_partial_fit():
# Test that fit and partial_fit get equivalent results.
rng = np.random.RandomState(1999)
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)
batch_size = 10
ipca = IncrementalPCA(n_components=2, batch_size=batch_size).fit(X)
pipca = IncrementalPCA(n_components=2, batch_size=batch_size)
# Add one to make sure endpoint is included
batch_itr = np.arange(0, n + 1, batch_size)
for i, j in zip(batch_itr[:-1], batch_itr[1:]):
pipca.partial_fit(X[i:j, :])
assert_almost_equal(ipca.components_, pipca.components_, decimal=3)
def test_incremental_pca_validation():
# Test that n_components is >=1 and <= n_features.
X = np.array([[0, 1, 0], [1, 0, 0]])
n_samples, n_features = X.shape
for n_components in [-1, 0, .99, 4]:
with pytest.raises(ValueError, match="n_components={} invalid"
" for n_features={}, need more rows than"
" columns for IncrementalPCA"
" processing".format(n_components,
n_features)):
IncrementalPCA(n_components, batch_size=10).fit(X)
# Tests that n_components is also <= n_samples.
n_components = 3
with pytest.raises(ValueError, match="n_components={} must be"
" less or equal to the batch number of"
" samples {}".format(n_components, n_samples)):
IncrementalPCA(n_components=n_components).partial_fit(X)
def test_whitening():
# Test that PCA and IncrementalPCA transforms match to sign flip.
X = datasets.make_low_rank_matrix(1000, 10, tail_strength=0.,
effective_rank=2, random_state=1999)
prec = 3
n_samples, n_features = X.shape
for nc in [None, 9]:
pca = PCA(whiten=True, n_components=nc).fit(X)
ipca = IncrementalPCA(whiten=True, n_components=nc,
batch_size=250).fit(X)
Xt_pca = pca.transform(X)
Xt_ipca = ipca.transform(X)
assert_almost_equal(np.abs(Xt_pca), np.abs(Xt_ipca), decimal=prec)
Xinv_ipca = ipca.inverse_transform(Xt_ipca)
Xinv_pca = pca.inverse_transform(Xt_pca)
assert_almost_equal(X, Xinv_ipca, decimal=prec)
assert_almost_equal(X, Xinv_pca, decimal=prec)
assert_almost_equal(Xinv_pca, Xinv_ipca, decimal=prec)
def test_incremental_pca_against_pca_random_data():
# Test that IncrementalPCA and PCA are approximate (to a sign flip).
rng = np.random.RandomState(1999)
n_samples = 100
n_features = 3
X = rng.randn(n_samples, n_features) + 5 * rng.rand(1, n_features)
Y_pca = PCA(n_components=3).fit_transform(X)
Y_ipca = IncrementalPCA(n_components=3, batch_size=25).fit_transform(X)
assert_almost_equal(np.abs(Y_pca), np.abs(Y_ipca), 1)
def test_incremental_pca_batch_values():
# Test that components_ values are stable over batch sizes.
rng = np.random.RandomState(1999)
n_samples = 100
n_features = 3
X = rng.randn(n_samples, n_features)
all_components = []
batch_sizes = np.arange(20, 40, 3)
for batch_size in batch_sizes:
ipca = IncrementalPCA(n_components=None, batch_size=batch_size).fit(X)
all_components.append(ipca.components_)
for i, j in zip(all_components[:-1], all_components[1:]):
assert_almost_equal(i, j, decimal=1)
def test_incremental_pca_batch_rank():
# Test sample size in each batch is always larger or equal to n_components
rng = np.random.RandomState(1999)
n_samples = 100
n_features = 20
X = rng.randn(n_samples, n_features)
all_components = []
batch_sizes = np.arange(20, 90, 3)
for batch_size in batch_sizes:
ipca = IncrementalPCA(n_components=20, batch_size=batch_size).fit(X)
all_components.append(ipca.components_)
for components_i, components_j in zip(all_components[:-1],
all_components[1:]):
assert_allclose_dense_sparse(components_i, components_j)
def test_explained_variances():
# Test that PCA and IncrementalPCA calculations match
X = datasets.make_low_rank_matrix(1000, 100, tail_strength=0.,
effective_rank=10, random_state=1999)
prec = 3
n_samples, n_features = X.shape
for nc in [None, 99]:
pca = PCA(n_components=nc).fit(X)
ipca = IncrementalPCA(n_components=nc, batch_size=100).fit(X)
assert_almost_equal(pca.explained_variance_, ipca.explained_variance_,
decimal=prec)
assert_almost_equal(pca.explained_variance_ratio_,
ipca.explained_variance_ratio_, decimal=prec)
assert_almost_equal(pca.noise_variance_, ipca.noise_variance_,
decimal=prec)
def test_incremental_pca_num_features_change():
# Test that changing n_components will raise an error.
rng = np.random.RandomState(1999)
n_samples = 100
X = rng.randn(n_samples, 20)
X2 = rng.randn(n_samples, 50)
ipca = IncrementalPCA(n_components=None)
ipca.fit(X)
with pytest.raises(ValueError):
ipca.partial_fit(X2)
def test_incremental_pca():
# Incremental PCA on dense arrays.
X = iris.data
batch_size = X.shape[0] // 3
ipca = IncrementalPCA(n_components=2, batch_size=batch_size)
pca = PCA(n_components=2)
pca.fit_transform(X)
X_transformed = ipca.fit_transform(X)
assert X_transformed.shape == (X.shape[0], 2)
np.testing.assert_allclose(ipca.explained_variance_ratio_.sum(),
pca.explained_variance_ratio_.sum(), rtol=1e-3)
for n_components in [1, 2, X.shape[1]]:
ipca = IncrementalPCA(n_components, batch_size=batch_size)
ipca.fit(X)
cov = ipca.get_covariance()
precision = ipca.get_precision()
np.testing.assert_allclose(np.dot(cov, precision),
np.eye(X.shape[1]), atol=1e-13)
def test_singular_values():
# Check that the IncrementalPCA output has the correct singular values
rng = np.random.RandomState(0)
n_samples = 1000
n_features = 100
X = datasets.make_low_rank_matrix(n_samples, n_features, tail_strength=0.0,
effective_rank=10, random_state=rng)
pca = PCA(n_components=10, svd_solver='full', random_state=rng).fit(X)
ipca = IncrementalPCA(n_components=10, batch_size=100).fit(X)
assert_array_almost_equal(pca.singular_values_, ipca.singular_values_, 2)
# Compare to the Frobenius norm
X_pca = pca.transform(X)
X_ipca = ipca.transform(X)
assert_array_almost_equal(np.sum(pca.singular_values_**2.0),
np.linalg.norm(X_pca, "fro")**2.0, 12)
assert_array_almost_equal(np.sum(ipca.singular_values_**2.0),
np.linalg.norm(X_ipca, "fro")**2.0, 2)
# Compare to the 2-norms of the score vectors
assert_array_almost_equal(pca.singular_values_,
np.sqrt(np.sum(X_pca**2.0, axis=0)), 12)
assert_array_almost_equal(ipca.singular_values_,
np.sqrt(np.sum(X_ipca**2.0, axis=0)), 2)
# Set the singular values and see what we get back
rng = np.random.RandomState(0)
n_samples = 100
n_features = 110
X = datasets.make_low_rank_matrix(n_samples, n_features, tail_strength=0.0,
effective_rank=3, random_state=rng)
pca = PCA(n_components=3, svd_solver='full', random_state=rng)
ipca = IncrementalPCA(n_components=3, batch_size=100)
X_pca = pca.fit_transform(X)
X_pca /= np.sqrt(np.sum(X_pca**2.0, axis=0))
X_pca[:, 0] *= 3.142
X_pca[:, 1] *= 2.718
X_hat = np.dot(X_pca, pca.components_)
pca.fit(X_hat)
ipca.fit(X_hat)
assert_array_almost_equal(pca.singular_values_, [3.142, 2.718, 1.0], 14)
assert_array_almost_equal(ipca.singular_values_, [3.142, 2.718, 1.0], 14)
def fixed_batch_size_comparison(data):
all_features = [i.astype(int) for i in np.linspace(data.shape[1] // 10,
data.shape[1], num=5)]
batch_size = 1000
# Compare runtimes and error for fixed batch size
all_times = defaultdict(list)
all_errors = defaultdict(list)
for n_components in all_features:
pca = PCA(n_components=n_components)
ipca = IncrementalPCA(n_components=n_components, batch_size=batch_size)
results_dict = {k: benchmark(est, data) for k, est in [('pca', pca),
('ipca', ipca)]}
for k in sorted(results_dict.keys()):
all_times[k].append(results_dict[k]['time'])
all_errors[k].append(results_dict[k]['error'])
plot_feature_times(all_times, batch_size, all_features, data)
plot_feature_errors(all_errors, batch_size, all_features, data)
def test_incremental_pca_check_projection():
# Test that the projection of data is correct.
rng = np.random.RandomState(1999)
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])
# Get the reconstruction of the generated data X
# Note that Xt has the same "components" as X, just separated
# This is what we want to ensure is recreated correctly
Yt = IncrementalPCA(n_components=2).fit(X).transform(Xt)
# Normalize
Yt /= np.sqrt((Yt ** 2).sum())
# Make sure that the first element of Yt is ~1, this means
# the reconstruction worked as expected
assert_almost_equal(np.abs(Yt[0][0]), 1., 1)
def test_n_components_none():
# Ensures that n_components == None is handled correctly
rng = np.random.RandomState(1999)
for n_samples, n_features in [(50, 10), (10, 50)]:
X = rng.rand(n_samples, n_features)
ipca = IncrementalPCA(n_components=None)
# First partial_fit call, ipca.n_components_ is inferred from
# min(X.shape)
ipca.partial_fit(X)
assert ipca.n_components_ == min(X.shape)
# Second partial_fit call, ipca.n_components_ is inferred from
# ipca.components_ computed from the first partial_fit call
ipca.partial_fit(X)
assert ipca.n_components_ == ipca.components_.shape[0]
def test_incremental_pca_set_params():
# Test that components_ sign is stable over batch sizes.
rng = np.random.RandomState(1999)
n_samples = 100
n_features = 20
X = rng.randn(n_samples, n_features)
X2 = rng.randn(n_samples, n_features)
X3 = rng.randn(n_samples, n_features)
ipca = IncrementalPCA(n_components=20)
ipca.fit(X)
# Decreasing number of components
ipca.set_params(n_components=10)
with pytest.raises(ValueError):
ipca.partial_fit(X2)
# Increasing number of components
ipca.set_params(n_components=15)
with pytest.raises(ValueError):
ipca.partial_fit(X3)
# Returning to original setting
ipca.set_params(n_components=20)
ipca.partial_fit(X)
# Authors: Kyle Kastner
# License: BSD 3 clause
import numpy as np
import matplotlib.pyplot as plt
from mrex.datasets import load_iris
from mrex.decomposition import PCA, IncrementalPCA
iris = load_iris()
X = iris.data
y = iris.target
n_components = 2
ipca = IncrementalPCA(n_components=n_components, batch_size=10)
X_ipca = ipca.fit_transform(X)
pca = PCA(n_components=n_components)
X_pca = pca.fit_transform(X)
colors = ['navy', 'turquoise', 'darkorange']
for X_transformed, title in [(X_ipca, "Incremental PCA"), (X_pca, "PCA")]:
plt.figure(figsize=(8, 8))
for color, i, target_name in zip(colors, [0, 1, 2], iris.target_names):
plt.scatter(X_transformed[y == i, 0],
X_transformed[y == i, 1],
color=color,
lw=2,
label=target_name)
def test_incremental_pca_sparse(matrix_class):
# Incremental PCA on sparse arrays.
X = iris.data
pca = PCA(n_components=2)
pca.fit_transform(X)
X_sparse = matrix_class(X)
batch_size = X_sparse.shape[0] // 3
ipca = IncrementalPCA(n_components=2, batch_size=batch_size)
X_transformed = ipca.fit_transform(X_sparse)
assert X_transformed.shape == (X_sparse.shape[0], 2)
np.testing.assert_allclose(ipca.explained_variance_ratio_.sum(),
pca.explained_variance_ratio_.sum(), rtol=1e-3)
for n_components in [1, 2, X.shape[1]]:
ipca = IncrementalPCA(n_components, batch_size=batch_size)
ipca.fit(X_sparse)
cov = ipca.get_covariance()
precision = ipca.get_precision()
np.testing.assert_allclose(np.dot(cov, precision),
np.eye(X_sparse.shape[1]), atol=1e-13)
with pytest.raises(
TypeError,
match="IncrementalPCA.partial_fit does not support "
"sparse input. Either convert data to dense "
"or use IncrementalPCA.fit to do so in batches."):
ipca.partial_fit(X_sparse)
def test_incremental_pca_partial_fit_float_division():
# Test to ensure float division is used in all versions of Python
# (non-regression test for issue #9489)
rng = np.random.RandomState(0)
A = rng.randn(5, 3) + 2
B = rng.randn(7, 3) + 5
pca = IncrementalPCA(n_components=2)
pca.partial_fit(A)
# Set n_samples_seen_ to be a floating point number instead of an int
pca.n_samples_seen_ = float(pca.n_samples_seen_)
pca.partial_fit(B)
singular_vals_float_samples_seen = pca.singular_values_
pca2 = IncrementalPCA(n_components=2)
pca2.partial_fit(A)
pca2.partial_fit(B)
singular_vals_int_samples_seen = pca2.singular_values_
np.testing.assert_allclose(singular_vals_float_samples_seen,
singular_vals_int_samples_seen)