1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854
|
import sys
from sklearn.externals.six.moves import cStringIO as StringIO
import numpy as np
import scipy.sparse as sp
import pytest
from sklearn.neighbors import BallTree
from sklearn.neighbors import NearestNeighbors
from sklearn.utils.testing import assert_less_equal
from sklearn.utils.testing import assert_equal
from sklearn.utils.testing import assert_almost_equal
from sklearn.utils.testing import assert_array_equal
from sklearn.utils.testing import assert_array_almost_equal
from sklearn.utils.testing import assert_less
from sklearn.utils.testing import assert_greater
from sklearn.utils.testing import assert_raises_regexp
from sklearn.utils.testing import assert_in
from sklearn.utils.testing import assert_warns
from sklearn.utils.testing import assert_raises
from sklearn.utils.testing import skip_if_32bit
from sklearn.utils import check_random_state
from sklearn.manifold.t_sne import _joint_probabilities
from sklearn.manifold.t_sne import _joint_probabilities_nn
from sklearn.manifold.t_sne import _kl_divergence
from sklearn.manifold.t_sne import _kl_divergence_bh
from sklearn.manifold.t_sne import _gradient_descent
from sklearn.manifold.t_sne import trustworthiness
from sklearn.manifold.t_sne import TSNE
from sklearn.manifold import _barnes_hut_tsne
from sklearn.manifold._utils import _binary_search_perplexity
from sklearn.datasets import make_blobs
from scipy.optimize import check_grad
from scipy.spatial.distance import pdist
from scipy.spatial.distance import squareform
from sklearn.metrics.pairwise import pairwise_distances
from sklearn.metrics.pairwise import manhattan_distances
from sklearn.metrics.pairwise import cosine_distances
x = np.linspace(0, 1, 10)
xx, yy = np.meshgrid(x, x)
X_2d_grid = np.hstack([
xx.ravel().reshape(-1, 1),
yy.ravel().reshape(-1, 1),
])
def test_gradient_descent_stops():
# Test stopping conditions of gradient descent.
class ObjectiveSmallGradient:
def __init__(self):
self.it = -1
def __call__(self, _, compute_error=True):
self.it += 1
return (10 - self.it) / 10.0, np.array([1e-5])
def flat_function(_, compute_error=True):
return 0.0, np.ones(1)
# Gradient norm
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
_, error, it = _gradient_descent(
ObjectiveSmallGradient(), np.zeros(1), 0, n_iter=100,
n_iter_without_progress=100, momentum=0.0, learning_rate=0.0,
min_gain=0.0, min_grad_norm=1e-5, verbose=2)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
assert_equal(error, 1.0)
assert_equal(it, 0)
assert("gradient norm" in out)
# Maximum number of iterations without improvement
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
_, error, it = _gradient_descent(
flat_function, np.zeros(1), 0, n_iter=100,
n_iter_without_progress=10, momentum=0.0, learning_rate=0.0,
min_gain=0.0, min_grad_norm=0.0, verbose=2)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
assert_equal(error, 0.0)
assert_equal(it, 11)
assert("did not make any progress" in out)
# Maximum number of iterations
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
_, error, it = _gradient_descent(
ObjectiveSmallGradient(), np.zeros(1), 0, n_iter=11,
n_iter_without_progress=100, momentum=0.0, learning_rate=0.0,
min_gain=0.0, min_grad_norm=0.0, verbose=2)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
assert_equal(error, 0.0)
assert_equal(it, 10)
assert("Iteration 10" in out)
def test_binary_search():
# Test if the binary search finds Gaussians with desired perplexity.
random_state = check_random_state(0)
distances = random_state.randn(50, 2).astype(np.float32)
# Distances shouldn't be negative
distances = np.abs(distances.dot(distances.T))
np.fill_diagonal(distances, 0.0)
desired_perplexity = 25.0
P = _binary_search_perplexity(distances, None, desired_perplexity,
verbose=0)
P = np.maximum(P, np.finfo(np.double).eps)
mean_perplexity = np.mean([np.exp(-np.sum(P[i] * np.log(P[i])))
for i in range(P.shape[0])])
assert_almost_equal(mean_perplexity, desired_perplexity, decimal=3)
def test_binary_search_neighbors():
# Binary perplexity search approximation.
# Should be approximately equal to the slow method when we use
# all points as neighbors.
n_samples = 500
desired_perplexity = 25.0
random_state = check_random_state(0)
distances = random_state.randn(n_samples, 2).astype(np.float32)
# Distances shouldn't be negative
distances = np.abs(distances.dot(distances.T))
np.fill_diagonal(distances, 0.0)
P1 = _binary_search_perplexity(distances, None, desired_perplexity,
verbose=0)
# Test that when we use all the neighbors the results are identical
k = n_samples
neighbors_nn = np.argsort(distances, axis=1)[:, 1:k].astype(np.int64)
distances_nn = np.array([distances[k, neighbors_nn[k]]
for k in range(n_samples)])
P2 = _binary_search_perplexity(distances_nn, neighbors_nn,
desired_perplexity, verbose=0)
P_nn = np.array([P1[k, neighbors_nn[k]] for k in range(n_samples)])
assert_array_almost_equal(P_nn, P2, decimal=4)
# Test that the highest P_ij are the same when few neighbors are used
for k in np.linspace(80, n_samples, 5):
k = int(k)
topn = k * 10 # check the top 10 *k entries out of k * k entries
neighbors_nn = np.argsort(distances, axis=1)[:, :k].astype(np.int64)
distances_nn = np.array([distances[k, neighbors_nn[k]]
for k in range(n_samples)])
P2k = _binary_search_perplexity(distances_nn, neighbors_nn,
desired_perplexity, verbose=0)
idx = np.argsort(P1.ravel())[::-1]
P1top = P1.ravel()[idx][:topn]
idx = np.argsort(P2k.ravel())[::-1]
P2top = P2k.ravel()[idx][:topn]
assert_array_almost_equal(P1top, P2top, decimal=2)
def test_binary_perplexity_stability():
# Binary perplexity search should be stable.
# The binary_search_perplexity had a bug wherein the P array
# was uninitialized, leading to sporadically failing tests.
k = 10
n_samples = 100
random_state = check_random_state(0)
distances = random_state.randn(n_samples, 2).astype(np.float32)
# Distances shouldn't be negative
distances = np.abs(distances.dot(distances.T))
np.fill_diagonal(distances, 0.0)
last_P = None
neighbors_nn = np.argsort(distances, axis=1)[:, :k].astype(np.int64)
for _ in range(100):
P = _binary_search_perplexity(distances.copy(), neighbors_nn.copy(),
3, verbose=0)
P1 = _joint_probabilities_nn(distances, neighbors_nn, 3, verbose=0)
# Convert the sparse matrix to a dense one for testing
P1 = P1.toarray()
if last_P is None:
last_P = P
last_P1 = P1
else:
assert_array_almost_equal(P, last_P, decimal=4)
assert_array_almost_equal(P1, last_P1, decimal=4)
def test_gradient():
# Test gradient of Kullback-Leibler divergence.
random_state = check_random_state(0)
n_samples = 50
n_features = 2
n_components = 2
alpha = 1.0
distances = random_state.randn(n_samples, n_features).astype(np.float32)
distances = np.abs(distances.dot(distances.T))
np.fill_diagonal(distances, 0.0)
X_embedded = random_state.randn(n_samples, n_components).astype(np.float32)
P = _joint_probabilities(distances, desired_perplexity=25.0,
verbose=0)
def fun(params):
return _kl_divergence(params, P, alpha, n_samples, n_components)[0]
def grad(params):
return _kl_divergence(params, P, alpha, n_samples, n_components)[1]
assert_almost_equal(check_grad(fun, grad, X_embedded.ravel()), 0.0,
decimal=5)
def test_trustworthiness():
# Test trustworthiness score.
random_state = check_random_state(0)
# Affine transformation
X = random_state.randn(100, 2)
assert_equal(trustworthiness(X, 5.0 + X / 10.0), 1.0)
# Randomly shuffled
X = np.arange(100).reshape(-1, 1)
X_embedded = X.copy()
random_state.shuffle(X_embedded)
assert_less(trustworthiness(X, X_embedded), 0.6)
# Completely different
X = np.arange(5).reshape(-1, 1)
X_embedded = np.array([[0], [2], [4], [1], [3]])
assert_almost_equal(trustworthiness(X, X_embedded, n_neighbors=1), 0.2)
def test_preserve_trustworthiness_approximately():
# Nearest neighbors should be preserved approximately.
random_state = check_random_state(0)
n_components = 2
methods = ['exact', 'barnes_hut']
X = random_state.randn(50, n_components).astype(np.float32)
for init in ('random', 'pca'):
for method in methods:
tsne = TSNE(n_components=n_components, init=init, random_state=0,
method=method)
X_embedded = tsne.fit_transform(X)
t = trustworthiness(X, X_embedded, n_neighbors=1)
assert_greater(t, 0.85, msg='Trustworthiness={:0.3f} < 0.85 '
'for method={} and '
'init={}'.format(t, method, init))
def test_optimization_minimizes_kl_divergence():
"""t-SNE should give a lower KL divergence with more iterations."""
random_state = check_random_state(0)
X, _ = make_blobs(n_features=3, random_state=random_state)
kl_divergences = []
for n_iter in [250, 300, 350]:
tsne = TSNE(n_components=2, perplexity=10, learning_rate=100.0,
n_iter=n_iter, random_state=0)
tsne.fit_transform(X)
kl_divergences.append(tsne.kl_divergence_)
assert_less_equal(kl_divergences[1], kl_divergences[0])
assert_less_equal(kl_divergences[2], kl_divergences[1])
def test_fit_csr_matrix():
# X can be a sparse matrix.
random_state = check_random_state(0)
X = random_state.randn(100, 2)
X[(np.random.randint(0, 100, 50), np.random.randint(0, 2, 50))] = 0.0
X_csr = sp.csr_matrix(X)
tsne = TSNE(n_components=2, perplexity=10, learning_rate=100.0,
random_state=0, method='exact')
X_embedded = tsne.fit_transform(X_csr)
assert_almost_equal(trustworthiness(X_csr, X_embedded, n_neighbors=1), 1.0,
decimal=1)
def test_preserve_trustworthiness_approximately_with_precomputed_distances():
# Nearest neighbors should be preserved approximately.
random_state = check_random_state(0)
for i in range(3):
X = random_state.randn(100, 2)
D = squareform(pdist(X), "sqeuclidean")
tsne = TSNE(n_components=2, perplexity=2, learning_rate=100.0,
early_exaggeration=2.0, metric="precomputed",
random_state=i, verbose=0)
X_embedded = tsne.fit_transform(D)
t = trustworthiness(D, X_embedded, n_neighbors=1, metric="precomputed")
assert t > .95
def test_trustworthiness_precomputed_deprecation():
# FIXME: Remove this test in v0.23
# Use of the flag `precomputed` in trustworthiness parameters has been
# deprecated, but will still work until v0.23.
random_state = check_random_state(0)
X = random_state.randn(100, 2)
assert_equal(assert_warns(DeprecationWarning, trustworthiness,
pairwise_distances(X), X, precomputed=True), 1.)
assert_equal(assert_warns(DeprecationWarning, trustworthiness,
pairwise_distances(X), X, metric='precomputed',
precomputed=True), 1.)
assert_raises(ValueError, assert_warns, DeprecationWarning,
trustworthiness, X, X, metric='euclidean', precomputed=True)
assert_equal(assert_warns(DeprecationWarning, trustworthiness,
pairwise_distances(X), X, metric='euclidean',
precomputed=True), 1.)
def test_trustworthiness_not_euclidean_metric():
# Test trustworthiness with a metric different from 'euclidean' and
# 'precomputed'
random_state = check_random_state(0)
X = random_state.randn(100, 2)
assert_equal(trustworthiness(X, X, metric='cosine'),
trustworthiness(pairwise_distances(X, metric='cosine'), X,
metric='precomputed'))
def test_early_exaggeration_too_small():
# Early exaggeration factor must be >= 1.
tsne = TSNE(early_exaggeration=0.99)
assert_raises_regexp(ValueError, "early_exaggeration .*",
tsne.fit_transform, np.array([[0.0], [0.0]]))
def test_too_few_iterations():
# Number of gradient descent iterations must be at least 200.
tsne = TSNE(n_iter=199)
assert_raises_regexp(ValueError, "n_iter .*", tsne.fit_transform,
np.array([[0.0], [0.0]]))
def test_non_square_precomputed_distances():
# Precomputed distance matrices must be square matrices.
tsne = TSNE(metric="precomputed")
assert_raises_regexp(ValueError, ".* square distance matrix",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_non_positive_precomputed_distances():
# Precomputed distance matrices must be positive.
bad_dist = np.array([[0., -1.], [1., 0.]])
for method in ['barnes_hut', 'exact']:
tsne = TSNE(metric="precomputed", method=method)
assert_raises_regexp(ValueError, "All distances .*precomputed.*",
tsne.fit_transform, bad_dist)
def test_non_positive_computed_distances():
# Computed distance matrices must be positive.
def metric(x, y):
return -1
tsne = TSNE(metric=metric, method='exact')
X = np.array([[0.0, 0.0], [1.0, 1.0]])
assert_raises_regexp(ValueError, "All distances .*metric given.*",
tsne.fit_transform, X)
def test_init_not_available():
# 'init' must be 'pca', 'random', or numpy array.
tsne = TSNE(init="not available")
m = "'init' must be 'pca', 'random', or a numpy array"
assert_raises_regexp(ValueError, m, tsne.fit_transform,
np.array([[0.0], [1.0]]))
def test_init_ndarray():
# Initialize TSNE with ndarray and test fit
tsne = TSNE(init=np.zeros((100, 2)))
X_embedded = tsne.fit_transform(np.ones((100, 5)))
assert_array_equal(np.zeros((100, 2)), X_embedded)
def test_init_ndarray_precomputed():
# Initialize TSNE with ndarray and metric 'precomputed'
# Make sure no FutureWarning is thrown from _fit
tsne = TSNE(init=np.zeros((100, 2)), metric="precomputed")
tsne.fit(np.zeros((100, 100)))
def test_distance_not_available():
# 'metric' must be valid.
tsne = TSNE(metric="not available", method='exact')
assert_raises_regexp(ValueError, "Unknown metric not available.*",
tsne.fit_transform, np.array([[0.0], [1.0]]))
tsne = TSNE(metric="not available", method='barnes_hut')
assert_raises_regexp(ValueError, "Metric 'not available' not valid.*",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_method_not_available():
# 'nethod' must be 'barnes_hut' or 'exact'
tsne = TSNE(method='not available')
assert_raises_regexp(ValueError, "'method' must be 'barnes_hut' or ",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_angle_out_of_range_checks():
# check the angle parameter range
for angle in [-1, -1e-6, 1 + 1e-6, 2]:
tsne = TSNE(angle=angle)
assert_raises_regexp(ValueError, "'angle' must be between 0.0 - 1.0",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_pca_initialization_not_compatible_with_precomputed_kernel():
# Precomputed distance matrices must be square matrices.
tsne = TSNE(metric="precomputed", init="pca")
assert_raises_regexp(ValueError, "The parameter init=\"pca\" cannot be "
"used with metric=\"precomputed\".",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_n_components_range():
# barnes_hut method should only be used with n_components <= 3
tsne = TSNE(n_components=4, method="barnes_hut")
assert_raises_regexp(ValueError, "'n_components' should be .*",
tsne.fit_transform, np.array([[0.0], [1.0]]))
def test_early_exaggeration_used():
# check that the ``early_exaggeration`` parameter has an effect
random_state = check_random_state(0)
n_components = 2
methods = ['exact', 'barnes_hut']
X = random_state.randn(25, n_components).astype(np.float32)
for method in methods:
tsne = TSNE(n_components=n_components, perplexity=1,
learning_rate=100.0, init="pca", random_state=0,
method=method, early_exaggeration=1.0)
X_embedded1 = tsne.fit_transform(X)
tsne = TSNE(n_components=n_components, perplexity=1,
learning_rate=100.0, init="pca", random_state=0,
method=method, early_exaggeration=10.0)
X_embedded2 = tsne.fit_transform(X)
assert not np.allclose(X_embedded1, X_embedded2)
def test_n_iter_used():
# check that the ``n_iter`` parameter has an effect
random_state = check_random_state(0)
n_components = 2
methods = ['exact', 'barnes_hut']
X = random_state.randn(25, n_components).astype(np.float32)
for method in methods:
for n_iter in [251, 500]:
tsne = TSNE(n_components=n_components, perplexity=1,
learning_rate=0.5, init="random", random_state=0,
method=method, early_exaggeration=1.0, n_iter=n_iter)
tsne.fit_transform(X)
assert tsne.n_iter_ == n_iter - 1
def test_answer_gradient_two_points():
# Test the tree with only a single set of children.
#
# These tests & answers have been checked against the reference
# implementation by LvdM.
pos_input = np.array([[1.0, 0.0], [0.0, 1.0]])
pos_output = np.array([[-4.961291e-05, -1.072243e-04],
[9.259460e-05, 2.702024e-04]])
neighbors = np.array([[1],
[0]])
grad_output = np.array([[-2.37012478e-05, -6.29044398e-05],
[2.37012478e-05, 6.29044398e-05]])
_run_answer_test(pos_input, pos_output, neighbors, grad_output)
def test_answer_gradient_four_points():
# Four points tests the tree with multiple levels of children.
#
# These tests & answers have been checked against the reference
# implementation by LvdM.
pos_input = np.array([[1.0, 0.0], [0.0, 1.0],
[5.0, 2.0], [7.3, 2.2]])
pos_output = np.array([[6.080564e-05, -7.120823e-05],
[-1.718945e-04, -4.000536e-05],
[-2.271720e-04, 8.663310e-05],
[-1.032577e-04, -3.582033e-05]])
neighbors = np.array([[1, 2, 3],
[0, 2, 3],
[1, 0, 3],
[1, 2, 0]])
grad_output = np.array([[5.81128448e-05, -7.78033454e-06],
[-5.81526851e-05, 7.80976444e-06],
[4.24275173e-08, -3.69569698e-08],
[-2.58720939e-09, 7.52706374e-09]])
_run_answer_test(pos_input, pos_output, neighbors, grad_output)
def test_skip_num_points_gradient():
# Test the kwargs option skip_num_points.
#
# Skip num points should make it such that the Barnes_hut gradient
# is not calculated for indices below skip_num_point.
# Aside from skip_num_points=2 and the first two gradient rows
# being set to zero, these data points are the same as in
# test_answer_gradient_four_points()
pos_input = np.array([[1.0, 0.0], [0.0, 1.0],
[5.0, 2.0], [7.3, 2.2]])
pos_output = np.array([[6.080564e-05, -7.120823e-05],
[-1.718945e-04, -4.000536e-05],
[-2.271720e-04, 8.663310e-05],
[-1.032577e-04, -3.582033e-05]])
neighbors = np.array([[1, 2, 3],
[0, 2, 3],
[1, 0, 3],
[1, 2, 0]])
grad_output = np.array([[0.0, 0.0],
[0.0, 0.0],
[4.24275173e-08, -3.69569698e-08],
[-2.58720939e-09, 7.52706374e-09]])
_run_answer_test(pos_input, pos_output, neighbors, grad_output,
False, 0.1, 2)
def _run_answer_test(pos_input, pos_output, neighbors, grad_output,
verbose=False, perplexity=0.1, skip_num_points=0):
distances = pairwise_distances(pos_input).astype(np.float32)
args = distances, perplexity, verbose
pos_output = pos_output.astype(np.float32)
neighbors = neighbors.astype(np.int64)
pij_input = _joint_probabilities(*args)
pij_input = squareform(pij_input).astype(np.float32)
grad_bh = np.zeros(pos_output.shape, dtype=np.float32)
from scipy.sparse import csr_matrix
P = csr_matrix(pij_input)
neighbors = P.indices.astype(np.int64)
indptr = P.indptr.astype(np.int64)
_barnes_hut_tsne.gradient(P.data, pos_output, neighbors, indptr,
grad_bh, 0.5, 2, 1, skip_num_points=0)
assert_array_almost_equal(grad_bh, grad_output, decimal=4)
def test_verbose():
# Verbose options write to stdout.
random_state = check_random_state(0)
tsne = TSNE(verbose=2)
X = random_state.randn(5, 2)
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
tsne.fit_transform(X)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
assert("[t-SNE]" in out)
assert("nearest neighbors..." in out)
assert("Computed conditional probabilities" in out)
assert("Mean sigma" in out)
assert("early exaggeration" in out)
def test_chebyshev_metric():
# t-SNE should allow metrics that cannot be squared (issue #3526).
random_state = check_random_state(0)
tsne = TSNE(metric="chebyshev")
X = random_state.randn(5, 2)
tsne.fit_transform(X)
def test_reduction_to_one_component():
# t-SNE should allow reduction to one component (issue #4154).
random_state = check_random_state(0)
tsne = TSNE(n_components=1)
X = random_state.randn(5, 2)
X_embedded = tsne.fit(X).embedding_
assert(np.all(np.isfinite(X_embedded)))
def test_no_sparse_on_barnes_hut():
# No sparse matrices allowed on Barnes-Hut.
random_state = check_random_state(0)
X = random_state.randn(100, 2)
X[(np.random.randint(0, 100, 50), np.random.randint(0, 2, 50))] = 0.0
X_csr = sp.csr_matrix(X)
tsne = TSNE(n_iter=199, method='barnes_hut')
assert_raises_regexp(TypeError, "A sparse matrix was.*",
tsne.fit_transform, X_csr)
@pytest.mark.parametrize('method', ['barnes_hut', 'exact'])
@pytest.mark.parametrize('dt', [np.float32, np.float64])
def test_64bit(method, dt):
# Ensure 64bit arrays are handled correctly.
random_state = check_random_state(0)
X = random_state.randn(50, 2).astype(dt)
tsne = TSNE(n_components=2, perplexity=2, learning_rate=100.0,
random_state=0, method=method, verbose=0)
X_embedded = tsne.fit_transform(X)
effective_type = X_embedded.dtype
# tsne cython code is only single precision, so the output will
# always be single precision, irrespectively of the input dtype
assert effective_type == np.float32
@pytest.mark.parametrize('method', ['barnes_hut', 'exact'])
def test_kl_divergence_not_nan(method):
# Ensure kl_divergence_ is computed at last iteration
# even though n_iter % n_iter_check != 0, i.e. 1003 % 50 != 0
random_state = check_random_state(0)
X = random_state.randn(50, 2)
tsne = TSNE(n_components=2, perplexity=2, learning_rate=100.0,
random_state=0, method=method, verbose=0, n_iter=1003)
tsne.fit_transform(X)
assert not np.isnan(tsne.kl_divergence_)
def test_barnes_hut_angle():
# When Barnes-Hut's angle=0 this corresponds to the exact method.
angle = 0.0
perplexity = 10
n_samples = 100
for n_components in [2, 3]:
n_features = 5
degrees_of_freedom = float(n_components - 1.0)
random_state = check_random_state(0)
distances = random_state.randn(n_samples, n_features)
distances = distances.astype(np.float32)
distances = abs(distances.dot(distances.T))
np.fill_diagonal(distances, 0.0)
params = random_state.randn(n_samples, n_components)
P = _joint_probabilities(distances, perplexity, verbose=0)
kl_exact, grad_exact = _kl_divergence(params, P, degrees_of_freedom,
n_samples, n_components)
k = n_samples - 1
bt = BallTree(distances)
distances_nn, neighbors_nn = bt.query(distances, k=k + 1)
neighbors_nn = neighbors_nn[:, 1:]
distances_nn = np.array([distances[i, neighbors_nn[i]]
for i in range(n_samples)])
assert np.all(distances[0, neighbors_nn[0]] == distances_nn[0]),\
abs(distances[0, neighbors_nn[0]] - distances_nn[0])
P_bh = _joint_probabilities_nn(distances_nn, neighbors_nn,
perplexity, verbose=0)
kl_bh, grad_bh = _kl_divergence_bh(params, P_bh, degrees_of_freedom,
n_samples, n_components,
angle=angle, skip_num_points=0,
verbose=0)
P = squareform(P)
P_bh = P_bh.toarray()
assert_array_almost_equal(P_bh, P, decimal=5)
assert_almost_equal(kl_exact, kl_bh, decimal=3)
@skip_if_32bit
def test_n_iter_without_progress():
# Use a dummy negative n_iter_without_progress and check output on stdout
random_state = check_random_state(0)
X = random_state.randn(100, 10)
for method in ["barnes_hut", "exact"]:
tsne = TSNE(n_iter_without_progress=-1, verbose=2, learning_rate=1e8,
random_state=0, method=method, n_iter=351, init="random")
tsne._N_ITER_CHECK = 1
tsne._EXPLORATION_N_ITER = 0
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
tsne.fit_transform(X)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
# The output needs to contain the value of n_iter_without_progress
assert_in("did not make any progress during the "
"last -1 episodes. Finished.", out)
def test_min_grad_norm():
# Make sure that the parameter min_grad_norm is used correctly
random_state = check_random_state(0)
X = random_state.randn(100, 2)
min_grad_norm = 0.002
tsne = TSNE(min_grad_norm=min_grad_norm, verbose=2,
random_state=0, method='exact')
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
tsne.fit_transform(X)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
lines_out = out.split('\n')
# extract the gradient norm from the verbose output
gradient_norm_values = []
for line in lines_out:
# When the computation is Finished just an old gradient norm value
# is repeated that we do not need to store
if 'Finished' in line:
break
start_grad_norm = line.find('gradient norm')
if start_grad_norm >= 0:
line = line[start_grad_norm:]
line = line.replace('gradient norm = ', '').split(' ')[0]
gradient_norm_values.append(float(line))
# Compute how often the gradient norm is smaller than min_grad_norm
gradient_norm_values = np.array(gradient_norm_values)
n_smaller_gradient_norms = \
len(gradient_norm_values[gradient_norm_values <= min_grad_norm])
# The gradient norm can be smaller than min_grad_norm at most once,
# because in the moment it becomes smaller the optimization stops
assert_less_equal(n_smaller_gradient_norms, 1)
def test_accessible_kl_divergence():
# Ensures that the accessible kl_divergence matches the computed value
random_state = check_random_state(0)
X = random_state.randn(100, 2)
tsne = TSNE(n_iter_without_progress=2, verbose=2,
random_state=0, method='exact')
old_stdout = sys.stdout
sys.stdout = StringIO()
try:
tsne.fit_transform(X)
finally:
out = sys.stdout.getvalue()
sys.stdout.close()
sys.stdout = old_stdout
# The output needs to contain the accessible kl_divergence as the error at
# the last iteration
for line in out.split('\n')[::-1]:
if 'Iteration' in line:
_, _, error = line.partition('error = ')
if error:
error, _, _ = error.partition(',')
break
assert_almost_equal(tsne.kl_divergence_, float(error), decimal=5)
def check_uniform_grid(method, seeds=[0, 1, 2], n_iter=1000):
"""Make sure that TSNE can approximately recover a uniform 2D grid
Due to ties in distances between point in X_2d_grid, this test is platform
dependent for ``method='barnes_hut'`` due to numerical imprecision.
Also, t-SNE is not assured to converge to the right solution because bad
initialization can lead to convergence to bad local minimum (the
optimization problem is non-convex). To avoid breaking the test too often,
we re-run t-SNE from the final point when the convergence is not good
enough.
"""
for seed in seeds:
tsne = TSNE(n_components=2, init='random', random_state=seed,
perplexity=20, n_iter=n_iter, method=method)
Y = tsne.fit_transform(X_2d_grid)
try_name = "{}_{}".format(method, seed)
try:
assert_uniform_grid(Y, try_name)
except AssertionError:
# If the test fails a first time, re-run with init=Y to see if
# this was caused by a bad initialization. Note that this will
# also run an early_exaggeration step.
try_name += ":rerun"
tsne.init = Y
Y = tsne.fit_transform(X_2d_grid)
assert_uniform_grid(Y, try_name)
def assert_uniform_grid(Y, try_name=None):
# Ensure that the resulting embedding leads to approximately
# uniformly spaced points: the distance to the closest neighbors
# should be non-zero and approximately constant.
nn = NearestNeighbors(n_neighbors=1).fit(Y)
dist_to_nn = nn.kneighbors(return_distance=True)[0].ravel()
assert dist_to_nn.min() > 0.1
smallest_to_mean = dist_to_nn.min() / np.mean(dist_to_nn)
largest_to_mean = dist_to_nn.max() / np.mean(dist_to_nn)
assert_greater(smallest_to_mean, .5, msg=try_name)
assert_less(largest_to_mean, 2, msg=try_name)
@pytest.mark.parametrize('method', ['barnes_hut', 'exact'])
def test_uniform_grid(method):
check_uniform_grid(method)
def test_bh_match_exact():
# check that the ``barnes_hut`` method match the exact one when
# ``angle = 0`` and ``perplexity > n_samples / 3``
random_state = check_random_state(0)
n_features = 10
X = random_state.randn(30, n_features).astype(np.float32)
X_embeddeds = {}
n_iter = {}
for method in ['exact', 'barnes_hut']:
tsne = TSNE(n_components=2, method=method, learning_rate=1.0,
init="random", random_state=0, n_iter=251,
perplexity=30.0, angle=0)
# Kill the early_exaggeration
tsne._EXPLORATION_N_ITER = 0
X_embeddeds[method] = tsne.fit_transform(X)
n_iter[method] = tsne.n_iter_
assert n_iter['exact'] == n_iter['barnes_hut']
assert_array_almost_equal(X_embeddeds['exact'], X_embeddeds['barnes_hut'],
decimal=3)
def test_tsne_with_different_distance_metrics():
"""Make sure that TSNE works for different distance metrics"""
random_state = check_random_state(0)
n_components_original = 3
n_components_embedding = 2
X = random_state.randn(50, n_components_original).astype(np.float32)
metrics = ['manhattan', 'cosine']
dist_funcs = [manhattan_distances, cosine_distances]
for metric, dist_func in zip(metrics, dist_funcs):
X_transformed_tsne = TSNE(
metric=metric, n_components=n_components_embedding,
random_state=0).fit_transform(X)
X_transformed_tsne_precomputed = TSNE(
metric='precomputed', n_components=n_components_embedding,
random_state=0).fit_transform(dist_func(X))
assert_array_equal(X_transformed_tsne, X_transformed_tsne_precomputed)
|