fix normalizer

This commit is contained in:
Antoine Blanchard 2020-01-14 15:32:25 -05:00
parent 5a907bd013
commit 7550b1e5ef
2 changed files with 100 additions and 4 deletions

View file

@ -451,6 +451,15 @@ class GP(Model):
alpha = -2.*np.dot(kern.K(Xnew, self._predictive_variable), alpha = -2.*np.dot(kern.K(Xnew, self._predictive_variable),
self.posterior.woodbury_inv) self.posterior.woodbury_inv)
var_jac += kern.gradients_X(alpha, Xnew, self._predictive_variable) var_jac += kern.gradients_X(alpha, Xnew, self._predictive_variable)
if self.normalizer is not None:
mean_jac = self.normalizer.inverse_mean(mean_jac) \
- self.normalizer.inverse_mean(0.)
if self.output_dim > 1:
var_jac = self.normalizer.inverse_covariance(var_jac)
else:
var_jac = self.normalizer.inverse_variance(var_jac)
return mean_jac, var_jac return mean_jac, var_jac
def predict_jacobian(self, Xnew, kern=None, full_cov=False): def predict_jacobian(self, Xnew, kern=None, full_cov=False):
@ -711,11 +720,59 @@ class GP(Model):
mu_star, var_star = self._raw_predict(x_test) mu_star, var_star = self._raw_predict(x_test)
return self.likelihood.log_predictive_density_sampling(y_test, mu_star, var_star, Y_metadata=Y_metadata, num_samples=num_samples) return self.likelihood.log_predictive_density_sampling(y_test, mu_star, var_star, Y_metadata=Y_metadata, num_samples=num_samples)
def posterior_covariance_between_points(self, X1, X2):
def _raw_posterior_covariance_between_points(self, X1, X2):
""" """
Computes the posterior covariance between points. Computes the posterior covariance between points. Does not account for
normalization or likelihood
:param X1: some input observations :param X1: some input observations
:param X2: other input observations :param X2: other input observations
:returns:
cov: raw posterior covariance: k(X1,X2) - k(X1,X) G^{-1} K(X,X2)
""" """
return self.posterior.covariance_between_points(self.kern, self.X, X1, X2) return self.posterior.covariance_between_points(self.kern, self.X, X1, X2)
def posterior_covariance_between_points(self, X1, X2, Y_metadata=None,
likelihood=None,
include_likelihood=True):
"""
Computes the posterior covariance between points. Includes likelihood
variance as well as normalization so that evaluation at (x,x) is consistent
with model.predict
:param X1: some input observations
:param X2: other input observations
:param Y_metadata: metadata about the predicting point to pass to the
likelihood
:param include_likelihood: Whether or not to add likelihood noise to
the predicted underlying latent function f.
:type include_likelihood: bool
:returns:
cov: posterior covariance, a Numpy array, Nnew x Nnew if
self.output_dim == 1, and Nnew x Nnew x self.output_dim otherwise.
"""
cov = self._raw_posterior_covariance_between_points(X1, X2)
if include_likelihood:
# Predict latent mean and push through likelihood
mean, _ = self._raw_predict(X1, full_cov=True)
if likelihood is None:
likelihood = self.likelihood
_, cov = likelihood.predictive_values(mean, cov, full_cov=True,
Y_metadata=Y_metadata)
if self.normalizer is not None:
if self.output_dim > 1:
cov = self.normalizer.inverse_covariance(cov)
else:
cov = self.normalizer.inverse_variance(cov)
return cov

View file

@ -1168,7 +1168,7 @@ class GradientTests(np.testing.TestCase):
Y = np.array([[1], [2]]) Y = np.array([[1], [2]])
m = GPy.models.GPRegression(X1, Y, kernel=k) m = GPy.models.GPRegression(X1, Y, kernel=k)
result = m.posterior_covariance_between_points(X1, X2) result = m._raw_posterior_covariance_between_points(X1, X2)
expected = np.array([[0.4, 2.2], [1.0, 1.0]]) / 3.0 expected = np.array([[0.4, 2.2], [1.0, 1.0]]) / 3.0
self.assertTrue(np.allclose(result, expected)) self.assertTrue(np.allclose(result, expected))
@ -1179,7 +1179,7 @@ class GradientTests(np.testing.TestCase):
m = _create_missing_data_model(k, Q) m = _create_missing_data_model(k, Q)
with self.assertRaises(RuntimeError): with self.assertRaises(RuntimeError):
m.posterior_covariance_between_points(np.array([[1], [2]]), np.array([[3], [4]])) m._raw_posterior_covariance_between_points(np.array([[1], [2]]), np.array([[3], [4]]))
def test_multioutput_model_with_derivative_observations(self): def test_multioutput_model_with_derivative_observations(self):
f = lambda x: np.sin(x)+0.1*(x-2.)**2-0.005*x**3 f = lambda x: np.sin(x)+0.1*(x-2.)**2-0.005*x**3
@ -1242,6 +1242,45 @@ class GradientTests(np.testing.TestCase):
self.assertTrue(m.checkgrad()) self.assertTrue(m.checkgrad())
def test_predictive_gradients_with_normalizer(self):
"""
Check that model.predictive_gradients returns the gradients of
model.predict when normalizer=True
"""
N, M, Q = 10, 15, 3
X = np.random.rand(M,Q)
Y = np.random.rand(M,1)
x = np.random.rand(N, Q)
model = GPy.models.GPRegression(X=X, Y=Y, normalizer=True)
from GPy.models import GradientChecker
gm = GradientChecker(lambda x: model.predict(x)[0],
lambda x: model.predictive_gradients(x)[0],
x, 'x')
gc = GradientChecker(lambda x: model.predict(x)[1],
lambda x: model.predictive_gradients(x)[1],
x, 'x')
assert(gm.checkgrad())
assert(gc.checkgrad())
def test_posterior_covariance_between_points_with_normalizer(self):
"""
Check that model.posterior_covariance_between_points returns
the covariance from model.predict when normalizer=True
"""
np.random.seed(3)
N, M, Q = 10, 15, 3
X = np.random.rand(M,Q)
Y = np.random.rand(M,1)
x = np.random.rand(2, Q)
model = GPy.models.GPRegression(X=X, Y=Y, normalizer=True)
c1 = model.posterior_covariance_between_points(x,x)
c2 = model.predict(x, full_cov=True)[1]
np.testing.assert_allclose(c1,c2)
def _create_missing_data_model(kernel, Q): def _create_missing_data_model(kernel, Q):
D1, D2, D3, N, num_inducing = 13, 5, 8, 400, 3 D1, D2, D3, N, num_inducing = 13, 5, 8, 400, 3
_, _, Ylist = GPy.examples.dimensionality_reduction._simulate_matern(D1, D2, D3, N, num_inducing, False) _, _, Ylist = GPy.examples.dimensionality_reduction._simulate_matern(D1, D2, D3, N, num_inducing, False)