def test_spectral_oasis_multiple(self):
oasis = oASIS_Nystroem(self.d, self.C0_k, self.initial_columns)
oasis.set_selection_strategy(strategy='spectral-oasis', nsel=5)
newcols = oasis.select_columns()
c = self.C0[:, newcols]
assert np.all(np.equal(oasis.add_columns(c, newcols), newcols))
assert oasis.select_columns() is None
np.testing.assert_allclose(oasis.error, 0, rtol=1e-08, atol=1e-10)
def _test_oasis_single(self, strategy):
oasis = oASIS_Nystroem(self.d, self.C0_k, self.initial_columns)
oasis.set_selection_strategy(strategy=strategy, nsel=1)
for _ in range(5):
newcol = oasis.select_columns()
c = self.C0[:, newcol]
assert oasis.add_columns(c, newcol) == newcol
assert oasis.select_columns() is None
np.testing.assert_allclose(oasis.error, 0, rtol=1e-08, atol=1e-10)
return oasis
def test_initial_zero(self):
X = np.zeros((3, 3))
X[:, 2:3] = np.ones((3, 1))
C0 = np.dot(X.T, X)
initial_columns = np.array([0, 1])
oasis = oASIS_Nystroem(np.diag(C0), C0[:, initial_columns],
initial_columns)
np.testing.assert_allclose(np.abs(oasis.error), np.array([0, 0, 3]))
np.testing.assert_allclose(oasis.approximate_matrix(), np.zeros(
(3, 3)))
for strategy in ['random', 'oasis', 'spectral-oasis']:
oasis.set_selection_strategy(strategy=strategy, nsel=1)
assert oasis.select_columns() == np.array([2])
def test_constant_evec(self):
U = np.vstack([
1 + np.random.randn(1, 4) * 1e-6,
np.array([1, -1, 0, 0]),
np.array([0, 0, 1, -1])
]).T
M = np.dot(U, np.dot(np.diag([1, 0.95, 0.7]), U.T))
oasis = oASIS_Nystroem(np.diag(M), M[:, 0:2], np.array([0, 1]))
from pyemma.coordinates.transform.nystroem_tica import SelectionStrategySpectralOasis
sel = SelectionStrategySpectralOasis(oasis, strategy='spectral-oasis')
evecs = oasis.approximate_eig()[1]
fixed_evecs = sel._fix_constant_evec(evecs)
assert np.all(fixed_evecs[:, 0] == 1)
assert evecs.shape == fixed_evecs.shape
def test_random(self):
oasis = oASIS_Nystroem(self.d, self.C0_k, self.initial_columns)
oasis.set_selection_strategy(strategy='random', nsel=1)
while oasis.k < 6:
newcol = oasis.select_columns()
c = self.C0[:, newcol]
added_columns = oasis.add_columns(c, newcol)
assert ((len(added_columns) > 0
and np.any(np.in1d(self.variable_columns, added_columns)))
or
(len(added_columns) == 0
and not np.all(np.in1d(self.variable_columns, newcol))))
assert oasis.select_columns() is None
np.testing.assert_allclose(oasis.error, 0, rtol=1e-08, atol=1e-10)