https://github.com/GPflow/GPflow
Tip revision: 3f71351e300f606bd4c5bc45d682365f98389bcd authored by James Hensman on 06 July 2016, 17:33:24 UTC
improvements to transforms
improvements to transforms
Tip revision: 3f71351
svgp.py
import tensorflow as tf
import numpy as np
from .param import Param, DataHolder
from .model import GPModel
from . import transforms
from . import conditionals
from .mean_functions import Zero
from .tf_hacks import eye
from . import kullback_leiblers
class MinibatchData(DataHolder):
"""
A special DataHolder class which feeds a minibatch to tensorflow via
get_feed_dict().
"""
def __init__(self, array, minibatch_size, rng=None):
"""
array is a numpy array of data.
minibatch_size (int) is the size of the minibatch
rng is an instance of np.random.RandomState(), defaults to seed 0.
"""
DataHolder.__init__(self, array, on_shape_change='pass')
self.minibatch_size = minibatch_size
self.rng = rng or np.random.RandomState(0)
def generate_index(self):
if float(self.minibatch_size) / float(self._array.shape[0]) > 0.5:
return self.rng.permutation(self._array.shape[0])[:self.minibatch_size]
else:
# This is much faster than above, and for N >> minibatch,
# it doesn't make much difference. This actually
# becomes the limit when N is around 10**6, which isn't
# uncommon when using SVI.
return self.rng.randint(self._array.shape[0], size=self.minibatch_size)
def get_feed_dict(self):
return {self._tf_array: self._array[self.generate_index()]}
class SVGP(GPModel):
"""
This is the Sparse Variational GP (SVGP). The key reference is
@inproceedings{hensman2014scalable,
title={Scalable Variational Gaussian Process Classification},
author={Hensman, James and Matthews,
Alexander G. de G. and Ghahramani, Zoubin},
booktitle={Proceedings of AISTATS},
year={2015}
}
"""
def __init__(self, X, Y, kern, likelihood, Z, mean_function=Zero(),
num_latent=None, q_diag=False, whiten=True, minibatch_size=None):
"""
- X is a data matrix, size N x D
- Y is a data matrix, size N x R
- kern, likelihood, mean_function are appropriate GPflow objects
- Z is a matrix of pseudo inputs, size M x D
- num_latent is the number of latent process to use, default to
Y.shape[1]
- q_diag is a boolean. If True, the covariance is approximated by a
diagonal matrix.
- whiten is a boolean. If True, we use the whitened representation of
the inducing points.
"""
# sort out the X, Y into MiniBatch objects.
if minibatch_size is None:
minibatch_size = X.shape[0]
self.num_data = X.shape[0]
X = MinibatchData(X, minibatch_size, np.random.RandomState(0))
Y = MinibatchData(Y, minibatch_size, np.random.RandomState(0))
# init the super class, accept args
GPModel.__init__(self, X, Y, kern, likelihood, mean_function)
self.q_diag, self.whiten = q_diag, whiten
self.Z = Param(Z)
self.num_latent = num_latent or Y.shape[1]
self.num_inducing = Z.shape[0]
# init variational parameters
self.q_mu = Param(np.zeros((self.num_inducing, self.num_latent)))
if self.q_diag:
self.q_sqrt = Param(np.ones((self.num_inducing, self.num_latent)),
transforms.positive)
else:
q_sqrt = np.array([np.eye(self.num_inducing)
for _ in range(self.num_latent)]).swapaxes(0, 2)
self.q_sqrt = Param(q_sqrt)
def build_prior_KL(self):
if self.whiten:
if self.q_diag:
KL = kullback_leiblers.gauss_kl_white_diag(self.q_mu,
self.q_sqrt,
self.num_latent)
else:
KL = kullback_leiblers.gauss_kl_white(self.q_mu,
self.q_sqrt,
self.num_latent)
else:
K = self.kern.K(self.Z) + eye(self.num_inducing) * 1e-6
if self.q_diag:
KL = kullback_leiblers.gauss_kl_diag(self.q_mu,
self.q_sqrt,
K,
self.num_latent)
else:
KL = kullback_leiblers.gauss_kl(self.q_mu,
self.q_sqrt,
K,
self.num_latent)
return KL
def build_likelihood(self):
"""
This gives a variational bound on the model likelihood.
"""
# Get prior KL.
KL = self.build_prior_KL()
# Get conditionals
if self.whiten:
cond_fn = conditionals.gaussian_gp_predict_whitened
else:
cond_fn = conditionals.gaussian_gp_predict
fmean, fvar = cond_fn(self.X, self.Z, self.kern,
self.q_mu, self.q_sqrt, self.num_latent)
# add in mean function to conditionals.
fmean += self.mean_function(self.X)
# Get variational expectations.
var_exp = self.likelihood.variational_expectations(fmean, fvar, self.Y)
# re-scale for minibatch size
scale = tf.cast(self.num_data, tf.float64) / tf.cast(tf.shape(self.X)[0], tf.float64)
return tf.reduce_sum(var_exp) * scale - KL
def build_predict(self, Xnew, full_cov=False):
if self.whiten:
cond_fn = conditionals.gaussian_gp_predict_whitened
else:
cond_fn = conditionals.gaussian_gp_predict
mu, var = cond_fn(Xnew, self.Z, self.kern,
self.q_mu, self.q_sqrt, self.num_latent, full_cov)
return mu + self.mean_function(Xnew), var