Merge branch 'devel' of github.com:SheffieldML/GPy into devel

This commit is contained in:
Max Zwiessele 2013-10-01 08:57:05 +01:00
commit a0b58020a4
38 changed files with 1491 additions and 267 deletions

8
GPy/FAQ.txt Normal file
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@ -0,0 +1,8 @@
Frequently Asked Questions
--------------------------
Unit tests are run through Travis-Ci. They can be run locally through entering the GPy route diretory and writing
nosetests testing/
Documentation is handled by Sphinx. To build the documentation:

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@ -0,0 +1,10 @@
In this text document we will describe coding conventions to be used in GPy to keep things consistent.
All arrays containing data are two dimensional. The first dimension is the number of data, the second dimension is number of features. This keeps things consistent with the idea of a design matrix.
Input matrices are either X or t, output matrices are Y.
Input dimensionality is input_dim, output dimensionality is output_dim, number of data is num_data.
Data sets are preprocessed in the datasets.py file. This file also records where the data set was obtained from in the dictionary stored in the file. Long term we should move this dictionary to sqlite or similar.

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@ -15,7 +15,7 @@ class GP(GPBase):
:param X: input observations
:param kernel: a GPy kernel, defaults to rbf+white
:parm likelihood: a GPy likelihood
:param likelihood: a GPy likelihood
:param normalize_X: whether to normalize the input data before computing (predictions will be in original scales)
:type normalize_X: False|True
:rtype: model object
@ -132,17 +132,16 @@ class GP(GPBase):
def predict(self, Xnew, which_parts='all', full_cov=False, likelihood_args=dict()):
"""
Predict the function(s) at the new point(s) Xnew.
Arguments
---------
:param Xnew: The points at which to make a prediction
:type Xnew: np.ndarray, Nnew x self.input_dim
:param which_parts: specifies which outputs kernel(s) to use in prediction
:type which_parts: ('all', list of bools)
:param full_cov: whether to return the full covariance matrix, or just the diagonal
:type full_cov: bool
:rtype: posterior mean, a Numpy array, Nnew x self.input_dim
:rtype: posterior variance, a Numpy array, Nnew x 1 if full_cov=False, Nnew x Nnew otherwise
:rtype: lower and upper boundaries of the 95% confidence intervals, Numpy arrays, Nnew x self.input_dim
:returns: mean: posterior mean, a Numpy array, Nnew x self.input_dim
:returns: var: posterior variance, a Numpy array, Nnew x 1 if full_cov=False, Nnew x Nnew otherwise
:returns: lower and upper boundaries of the 95% confidence intervals, Numpy arrays, Nnew x self.input_dim
If full_cov and self.input_dim > 1, the return shape of var is Nnew x Nnew x self.input_dim. If self.input_dim == 1, the return shape is Nnew x Nnew.
@ -160,8 +159,7 @@ class GP(GPBase):
def predict_single_output(self, Xnew, output=0, which_parts='all', full_cov=False):
"""
For a specific output, predict the function at the new point(s) Xnew.
Arguments
---------
:param Xnew: The points at which to make a prediction
:type Xnew: np.ndarray, Nnew x self.input_dim
:param output: output to predict
@ -170,9 +168,9 @@ class GP(GPBase):
:type which_parts: ('all', list of bools)
:param full_cov: whether to return the full covariance matrix, or just the diagonal
:type full_cov: bool
:rtype: posterior mean, a Numpy array, Nnew x self.input_dim
:rtype: posterior variance, a Numpy array, Nnew x 1 if full_cov=False, Nnew x Nnew otherwise
:rtype: lower and upper boundaries of the 95% confidence intervals, Numpy arrays, Nnew x self.input_dim
:returns: posterior mean, a Numpy array, Nnew x self.input_dim
:returns: posterior variance, a Numpy array, Nnew x 1 if full_cov=False, Nnew x Nnew otherwise
:returns: lower and upper boundaries of the 95% confidence intervals, Numpy arrays, Nnew x self.input_dim
.. Note:: For multiple output models only
"""

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@ -128,10 +128,9 @@ class GPBase(Model):
else:
raise NotImplementedError, "Cannot define a frame with more than two input dimensions"
else:
assert self.num_outputs > output, 'The model has only %s outputs.' %self.num_outputs
assert len(self.likelihood.noise_model_list) > output, 'The model has only %s outputs.' %self.num_outputs
if self.X.shape[1] == 2:
assert self.num_outputs >= output, 'The model has only %s outputs.' %self.num_outputs
Xu = self.X[self.X[:,-1]==output ,0:1]
Xnew, xmin, xmax = x_frame1D(Xu, plot_limits=plot_limits)
@ -263,7 +262,7 @@ class GPBase(Model):
raise NotImplementedError, "Cannot define a frame with more than two input dimensions"
else:
assert self.num_outputs > output, 'The model has only %s outputs.' %self.num_outputs
assert len(self.likelihood.noise_model_list) > output, 'The model has only %s outputs.' %self.num_outputs
if self.X.shape[1] == 2:
resolution = resolution or 200
Xu = self.X[self.X[:,-1]==output,:] #keep the output of interest
@ -287,3 +286,20 @@ class GPBase(Model):
else:
raise NotImplementedError, "Cannot define a frame with more than two input dimensions"
"""
def samples_f(self,X,samples=10, which_data='all', which_parts='all',output=None):
if which_data == 'all':
which_data = slice(None)
if hasattr(self,'multioutput'):
np.hstack([X,np.ones((X.shape[0],1))*output])
m, v = self._raw_predict(X, which_parts=which_parts, full_cov=True)
v = v.reshape(m.size,-1) if len(v.shape)==3 else v
Ysim = np.random.multivariate_normal(m.flatten(), v, samples)
#gpplot(X, m, m - 2 * np.sqrt(np.diag(v)[:, None]), m + 2 * np.sqrt(np.diag(v))[:, None, ], axes=ax)
for i in range(samples):
ax.plot(X, Ysim[i, :], Tango.colorsHex['darkBlue'], linewidth=0.25)
"""

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@ -47,6 +47,7 @@ class Model(Parameterized):
:param state: the state of the model.
:type state: list as returned from getstate.
"""
self.preferred_optimizer = state.pop()
self.sampling_runs = state.pop()
@ -543,10 +544,11 @@ class Model(Parameterized):
"""
EM - like algorithm for Expectation Propagation and Laplace approximation
:stop_crit: convergence criterion
:param stop_crit: convergence criterion
:type stop_crit: float
..Note: kwargs are passed to update_likelihood and optimize functions. """
.. Note: kwargs are passed to update_likelihood and optimize functions.
"""
assert isinstance(self.likelihood, likelihoods.EP) or isinstance(self.likelihood, likelihoods.EP_Mixed_Noise), "pseudo_EM is only available for EP likelihoods"
ll_change = stop_crit + 1.
iteration = 0

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@ -367,9 +367,8 @@ class SparseGP(GPBase):
ax.plot(Zu[:, 0], Zu[:, 1], 'wo')
else:
pass
"""
if self.X.shape[1] == 2 and hasattr(self,'multioutput'):
"""
Xu = self.X[self.X[:,-1]==output,:]
if self.has_uncertain_inputs:
Xu = self.X * self._Xscale + self._Xoffset # NOTE self.X are the normalized values now
@ -380,6 +379,7 @@ class SparseGP(GPBase):
xerr=2 * np.sqrt(self.X_variance[which_data, 0]),
ecolor='k', fmt=None, elinewidth=.5, alpha=.5)
"""
Zu = self.Z[self.Z[:,-1]==output,:]
Zu = self.Z * self._Xscale + self._Xoffset
Zu = self.Z[self.Z[:,-1]==output ,0:1] #??
@ -388,13 +388,11 @@ class SparseGP(GPBase):
else:
raise NotImplementedError, "Cannot define a frame with more than two input dimensions"
"""
def predict_single_output(self, Xnew, output=0, which_parts='all', full_cov=False):
"""
For a specific output, predict the function at the new point(s) Xnew.
Arguments
---------
:param Xnew: The points at which to make a prediction
:type Xnew: np.ndarray, Nnew x self.input_dim
:param output: output to predict

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@ -132,7 +132,7 @@ def multiple_optima(gene_number=937, resolution=80, model_restarts=10, seed=1000
length_scales = np.linspace(0.1, 60., resolution)
log_SNRs = np.linspace(-3., 4., resolution)
data = GPy.util.datasets.della_gatta_TRP63_gene_expression(gene_number)
data = GPy.util.datasets.della_gatta_TRP63_gene_expression(data_set='della_gatta',gene_number=gene_number)
# data['Y'] = data['Y'][0::2, :]
# data['X'] = data['X'][0::2, :]

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@ -29,7 +29,7 @@ class Optimizer():
"""
def __init__(self, x_init, messages=False, model=None, max_f_eval=1e4, max_iters=1e3,
ftol=None, gtol=None, xtol=None):
ftol=None, gtol=None, xtol=None, bfgs_factor=None):
self.opt_name = None
self.x_init = x_init
self.messages = messages
@ -39,6 +39,7 @@ class Optimizer():
self.status = None
self.max_f_eval = int(max_f_eval)
self.max_iters = int(max_iters)
self.bfgs_factor = bfgs_factor
self.trace = None
self.time = "Not available"
self.xtol = xtol
@ -128,6 +129,8 @@ class opt_lbfgsb(Optimizer):
print "WARNING: l-bfgs-b doesn't have an ftol arg, so I'm going to ignore it"
if self.gtol is not None:
opt_dict['pgtol'] = self.gtol
if self.bfgs_factor is not None:
opt_dict['factr'] = self.bfgs_factor
opt_result = optimize.fmin_l_bfgs_b(f_fp, self.x_init, iprint=iprint,
maxfun=self.max_iters, **opt_dict)

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@ -10,11 +10,10 @@ class opt_SGD(Optimizer):
"""
Optimize using stochastic gradient descent.
*** Parameters ***
Model: reference to the Model object
iterations: number of iterations
learning_rate: learning rate
momentum: momentum
:param Model: reference to the Model object
:param iterations: number of iterations
:param learning_rate: learning rate
:param momentum: momentum
"""

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@ -80,29 +80,30 @@ def gibbs(input_dim,variance=1., mapping=None):
.. math::
r = sqrt((x_i - x_j)'*(x_i - x_j))
r = \\sqrt{((x_i - x_j)'*(x_i - x_j))}
k(x_i, x_j) = \sigma^2*Z*exp(-r^2/(l(x)*l(x) + l(x')*l(x')))
k(x_i, x_j) = \\sigma^2*Z*exp(-r^2/(l(x)*l(x) + l(x')*l(x')))
Z = \sqrt{2*l(x)*l(x')/(l(x)*l(x) + l(x')*l(x')}
Z = \\sqrt{2*l(x)*l(x')/(l(x)*l(x) + l(x')*l(x')}
where :math:`l(x)` is a function giving the length scale as a function of space.
This is the non stationary kernel proposed by Mark Gibbs in his 1997
thesis. It is similar to an RBF but has a length scale that varies
with input location. This leads to an additional term in front of
the kernel.
Where :math:`l(x)` is a function giving the length scale as a function of space.
The parameters are :math:`\sigma^2`, the process variance, and the parameters of l(x) which is a function that can be specified by the user, by default an multi-layer peceptron is used is used.
This is the non stationary kernel proposed by Mark Gibbs in his 1997
thesis. It is similar to an RBF but has a length scale that varies
with input location. This leads to an additional term in front of
the kernel.
:param input_dim: the number of input dimensions
:type input_dim: int
:param variance: the variance :math:`\sigma^2`
:type variance: float
:param mapping: the mapping that gives the lengthscale across the input space.
:type mapping: GPy.core.Mapping
:param ARD: Auto Relevance Determination. If equal to "False", the kernel is isotropic (ie. one weight variance parameter \sigma^2_w), otherwise there is one weight variance parameter per dimension.
:type ARD: Boolean
:rtype: Kernpart object
The parameters are :math:`\\sigma^2`, the process variance, and the parameters of l(x) which is a function that can be specified by the user, by default an multi-layer peceptron is used is used.
:param input_dim: the number of input dimensions
:type input_dim: int
:param variance: the variance :math:`\\sigma^2`
:type variance: float
:param mapping: the mapping that gives the lengthscale across the input space.
:type mapping: GPy.core.Mapping
:param ARD: Auto Relevance Determination. If equal to "False", the kernel is isotropic (ie. one weight variance parameter :math:`\\sigma^2_w`), otherwise there is one weight variance parameter per dimension.
:type ARD: Boolean
:rtype: Kernpart object
"""
part = parts.gibbs.Gibbs(input_dim,variance,mapping)
@ -148,6 +149,33 @@ def white(input_dim,variance=1.):
part = parts.white.White(input_dim,variance)
return kern(input_dim, [part])
def eq_ode1(output_dim, W=None, rank=1, kappa=None, length_scale=1., decay=None, delay=None):
"""Covariance function for first order differential equation driven by an exponentiated quadratic covariance.
This outputs of this kernel have the form
.. math::
\frac{\text{d}y_j}{\text{d}t} = \sum_{i=1}^R w_{j,i} f_i(t-\delta_j) +\sqrt{\kappa_j}g_j(t) - d_jy_j(t)
where :math:`R` is the rank of the system, :math:`w_{j,i}` is the sensitivity of the :math:`j`th output to the :math:`i`th latent function, :math:`d_j` is the decay rate of the :math:`j`th output and :math:`f_i(t)` and :math:`g_i(t)` are independent latent Gaussian processes goverened by an exponentiated quadratic covariance.
:param output_dim: number of outputs driven by latent function.
:type output_dim: int
:param W: sensitivities of each output to the latent driving function.
:type W: ndarray (output_dim x rank).
:param rank: If rank is greater than 1 then there are assumed to be a total of rank latent forces independently driving the system, each with identical covariance.
:type rank: int
:param decay: decay rates for the first order system.
:type decay: array of length output_dim.
:param delay: delay between latent force and output response.
:type delay: array of length output_dim.
:param kappa: diagonal term that allows each latent output to have an independent component to the response.
:type kappa: array of length output_dim.
.. Note: see first order differential equation examples in GPy.examples.regression for some usage.
"""
part = parts.eq_ode1.Eq_ode1(output_dim, W, rank, kappa, length_scale, decay, delay)
return kern(2, [part])
def exponential(input_dim,variance=1., lengthscale=None, ARD=False):
"""
@ -257,37 +285,71 @@ def Brownian(input_dim, variance=1.):
try:
import sympy as sp
from sympykern import spkern
from sympy.parsing.sympy_parser import parse_expr
sympy_available = True
except ImportError:
sympy_available = False
if sympy_available:
from parts.sympykern import spkern
from sympy.parsing.sympy_parser import parse_expr
from GPy.util.symbolic import sinc
def rbf_sympy(input_dim, ARD=False, variance=1., lengthscale=1.):
"""
Radial Basis Function covariance.
"""
X = [sp.var('x%i' % i) for i in range(input_dim)]
Z = [sp.var('z%i' % i) for i in range(input_dim)]
rbf_variance = sp.var('rbf_variance',positive=True)
variance = sp.var('variance',positive=True)
if ARD:
rbf_lengthscales = [sp.var('rbf_lengthscale_%i' % i, positive=True) for i in range(input_dim)]
dist_string = ' + '.join(['(x%i-z%i)**2/rbf_lengthscale_%i**2' % (i, i, i) for i in range(input_dim)])
lengthscales = [sp.var('lengthscale_%i' % i, positive=True) for i in range(input_dim)]
dist_string = ' + '.join(['(x%i-z%i)**2/lengthscale_%i**2' % (i, i, i) for i in range(input_dim)])
dist = parse_expr(dist_string)
f = rbf_variance*sp.exp(-dist/2.)
f = variance*sp.exp(-dist/2.)
else:
rbf_lengthscale = sp.var('rbf_lengthscale',positive=True)
lengthscale = sp.var('lengthscale',positive=True)
dist_string = ' + '.join(['(x%i-z%i)**2' % (i, i) for i in range(input_dim)])
dist = parse_expr(dist_string)
f = rbf_variance*sp.exp(-dist/(2*rbf_lengthscale**2))
return kern(input_dim, [spkern(input_dim, f)])
f = variance*sp.exp(-dist/(2*lengthscale**2))
return kern(input_dim, [spkern(input_dim, f, name='rbf_sympy')])
def sympykern(input_dim, k):
def sinc(input_dim, ARD=False, variance=1., lengthscale=1.):
"""
A kernel from a symbolic sympy representation
TODO: Not clear why this isn't working, suggests argument of sinc is not a number.
sinc covariance funciton
"""
return kern(input_dim, [spkern(input_dim, k)])
X = [sp.var('x%i' % i) for i in range(input_dim)]
Z = [sp.var('z%i' % i) for i in range(input_dim)]
variance = sp.var('variance',positive=True)
if ARD:
lengthscales = [sp.var('lengthscale_%i' % i, positive=True) for i in range(input_dim)]
dist_string = ' + '.join(['(x%i-z%i)**2/lengthscale_%i**2' % (i, i, i) for i in range(input_dim)])
dist = parse_expr(dist_string)
f = variance*sinc(sp.pi*sp.sqrt(dist))
else:
lengthscale = sp.var('lengthscale',positive=True)
dist_string = ' + '.join(['(x%i-z%i)**2' % (i, i) for i in range(input_dim)])
dist = parse_expr(dist_string)
f = variance*sinc(sp.pi*sp.sqrt(dist)/lengthscale)
return kern(input_dim, [spkern(input_dim, f, name='sinc')])
def sympykern(input_dim, k,name=None):
"""
A base kernel object, where all the hard work in done by sympy.
:param k: the covariance function
:type k: a positive definite sympy function of x1, z1, x2, z2...
To construct a new sympy kernel, you'll need to define:
- a kernel function using a sympy object. Ensure that the kernel is of the form k(x,z).
- that's it! we'll extract the variables from the function k.
Note:
- to handle multiple inputs, call them x1, z1, etc
- to handle multpile correlated outputs, you'll need to define each covariance function and 'cross' variance function. TODO
"""
return kern(input_dim, [spkern(input_dim, k,name)])
del sympy_available
def periodic_exponential(input_dim=1, variance=1., lengthscale=None, period=2 * np.pi, n_freq=10, lower=0., upper=4 * np.pi):
@ -369,7 +431,7 @@ def symmetric(k):
k_.parts = [symmetric.Symmetric(p) for p in k.parts]
return k_
def coregionalize(num_outputs,W_columns=1, W=None, kappa=None):
def coregionalize(output_dim,rank=1, W=None, kappa=None):
"""
Coregionlization matrix B, of the form:
@ -383,18 +445,18 @@ def coregionalize(num_outputs,W_columns=1, W=None, kappa=None):
it is obtainded as the tensor product between a kernel k(x,y) and B.
:param num_outputs: the number of outputs to coregionalize
:type num_outputs: int
:param W_columns: number of columns of the W matrix (this parameter is ignored if parameter W is not None)
:type W_colunns: int
:param output_dim: the number of outputs to corregionalize
:type output_dim: int
:param rank: number of columns of the W matrix (this parameter is ignored if parameter W is not None)
:type rank: int
:param W: a low rank matrix that determines the correlations between the different outputs, together with kappa it forms the coregionalization matrix B
:type W: numpy array of dimensionality (num_outpus, W_columns)
:type W: numpy array of dimensionality (num_outpus, rank)
:param kappa: a vector which allows the outputs to behave independently
:type kappa: numpy array of dimensionality (num_outputs,)
:type kappa: numpy array of dimensionality (output_dim,)
:rtype: kernel object
"""
p = parts.coregionalize.Coregionalize(num_outputs,W_columns,W,kappa)
p = parts.coregionalize.Coregionalize(output_dim,rank,W,kappa)
return kern(1,[p])
@ -454,16 +516,16 @@ def hierarchical(k):
_parts = [parts.hierarchical.Hierarchical(k.parts)]
return kern(k.input_dim+len(k.parts),_parts)
def build_lcm(input_dim, num_outputs, kernel_list = [], W_columns=1,W=None,kappa=None):
def build_lcm(input_dim, output_dim, kernel_list = [], rank=1,W=None,kappa=None):
"""
Builds a kernel of a linear coregionalization model
:input_dim: Input dimensionality
:num_outputs: Number of outputs
:output_dim: Number of outputs
:kernel_list: List of coregionalized kernels, each element in the list will be multiplied by a different corregionalization matrix
:type kernel_list: list of GPy kernels
:param W_columns: number tuples of the corregionalization parameters 'coregion_W'
:type W_columns: integer
:param rank: number tuples of the corregionalization parameters 'coregion_W'
:type rank: integer
..note the kernels dimensionality is overwritten to fit input_dim
@ -474,11 +536,31 @@ def build_lcm(input_dim, num_outputs, kernel_list = [], W_columns=1,W=None,kappa
k.input_dim = input_dim
warnings.warn("kernel's input dimension overwritten to fit input_dim parameter.")
k_coreg = coregionalize(num_outputs,W_columns,W,kappa)
k_coreg = coregionalize(output_dim,rank,W,kappa)
kernel = kernel_list[0]**k_coreg.copy()
for k in kernel_list[1:]:
k_coreg = coregionalize(num_outputs,W_columns,W,kappa)
k_coreg = coregionalize(output_dim,rank,W,kappa)
kernel += k**k_coreg.copy()
return kernel
def ODE_1(input_dim=1, varianceU=1., varianceY=1., lengthscaleU=None, lengthscaleY=None):
"""
kernel resultiong from a first order ODE with OU driving GP
:param input_dim: the number of input dimension, has to be equal to one
:type input_dim: int
:param varianceU: variance of the driving GP
:type varianceU: float
:param lengthscaleU: lengthscale of the driving GP
:type lengthscaleU: float
:param varianceY: 'variance' of the transfer function
:type varianceY: float
:param lengthscaleY: 'lengthscale' of the transfer function
:type lengthscaleY: float
:rtype: kernel object
"""
part = parts.ODE_1.ODE_1(input_dim, varianceU, varianceY, lengthscaleU, lengthscaleY)
return kern(input_dim, [part])

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@ -1,6 +1,7 @@
# Copyright (c) 2012, GPy authors (see AUTHORS.txt).
# Licensed under the BSD 3-clause license (see LICENSE.txt)
import sys
import numpy as np
import pylab as pb
from ..core.parameterized import Parameterized
@ -222,7 +223,8 @@ class kern(Parameterized):
def prod(self, other, tensor=False):
"""
multiply two kernels (either on the same space, or on the tensor product of the input space).
Multiply two kernels (either on the same space, or on the tensor product of the input space).
:param other: the other kernel to be added
:type other: GPy.kern
:param tensor: whether or not to use the tensor space (default is false).
@ -576,7 +578,7 @@ class Kern_check_model(Model):
def is_positive_definite(self):
v = np.linalg.eig(self.kernel.K(self.X))[0]
if any(v<-1e-6):
if any(v<-10*sys.float_info.epsilon):
return False
else:
return True

161
GPy/kern/parts/ODE_1.py Normal file
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@ -0,0 +1,161 @@
# Copyright (c) 2012, GPy authors (see AUTHORS.txt).
# Licensed under the BSD 3-clause license (see LICENSE.txt)
from kernpart import Kernpart
import numpy as np
class ODE_1(Kernpart):
"""
kernel resultiong from a first order ODE with OU driving GP
:param input_dim: the number of input dimension, has to be equal to one
:type input_dim: int
:param varianceU: variance of the driving GP
:type varianceU: float
:param lengthscaleU: lengthscale of the driving GP (sqrt(3)/lengthscaleU)
:type lengthscaleU: float
:param varianceY: 'variance' of the transfer function
:type varianceY: float
:param lengthscaleY: 'lengthscale' of the transfer function (1/lengthscaleY)
:type lengthscaleY: float
:rtype: kernel object
"""
def __init__(self, input_dim=1, varianceU=1., varianceY=1., lengthscaleU=None, lengthscaleY=None):
assert input_dim==1, "Only defined for input_dim = 1"
self.input_dim = input_dim
self.num_params = 4
self.name = 'ODE_1'
if lengthscaleU is not None:
lengthscaleU = np.asarray(lengthscaleU)
assert lengthscaleU.size == 1, "lengthscaleU should be one dimensional"
else:
lengthscaleU = np.ones(1)
if lengthscaleY is not None:
lengthscaleY = np.asarray(lengthscaleY)
assert lengthscaleY.size == 1, "lengthscaleY should be one dimensional"
else:
lengthscaleY = np.ones(1)
#lengthscaleY = 0.5
self._set_params(np.hstack((varianceU, varianceY, lengthscaleU,lengthscaleY)))
def _get_params(self):
"""return the value of the parameters."""
return np.hstack((self.varianceU,self.varianceY, self.lengthscaleU,self.lengthscaleY))
def _set_params(self, x):
"""set the value of the parameters."""
assert x.size == self.num_params
self.varianceU = x[0]
self.varianceY = x[1]
self.lengthscaleU = x[2]
self.lengthscaleY = x[3]
def _get_param_names(self):
"""return parameter names."""
return ['varianceU','varianceY', 'lengthscaleU', 'lengthscaleY']
def K(self, X, X2, target):
"""Compute the covariance matrix between X and X2."""
if X2 is None: X2 = X
# i1 = X[:,1]
# i2 = X2[:,1]
# X = X[:,0].reshape(-1,1)
# X2 = X2[:,0].reshape(-1,1)
dist = np.abs(X - X2.T)
ly=1/self.lengthscaleY
lu=np.sqrt(3)/self.lengthscaleU
#ly=self.lengthscaleY
#lu=self.lengthscaleU
k1 = np.exp(-ly*dist)*(2*lu+ly)/(lu+ly)**2
k2 = (np.exp(-lu*dist)*(ly-2*lu+lu*ly*dist-lu**2*dist) + np.exp(-ly*dist)*(2*lu-ly) ) / (ly-lu)**2
k3 = np.exp(-lu*dist) * ( (1+lu*dist)/(lu+ly) + (lu)/(lu+ly)**2 )
np.add(self.varianceU*self.varianceY*(k1+k2+k3), target, target)
def Kdiag(self, X, target):
"""Compute the diagonal of the covariance matrix associated to X."""
ly=1/self.lengthscaleY
lu=np.sqrt(3)/self.lengthscaleU
#ly=self.lengthscaleY
#lu=self.lengthscaleU
k1 = (2*lu+ly)/(lu+ly)**2
k2 = (ly-2*lu + 2*lu-ly ) / (ly-lu)**2
k3 = 1/(lu+ly) + (lu)/(lu+ly)**2
np.add(self.varianceU*self.varianceY*(k1+k2+k3), target, target)
def dK_dtheta(self, dL_dK, X, X2, target):
"""derivative of the covariance matrix with respect to the parameters."""
if X2 is None: X2 = X
dist = np.abs(X - X2.T)
ly=1/self.lengthscaleY
lu=np.sqrt(3)/self.lengthscaleU
#ly=self.lengthscaleY
#lu=self.lengthscaleU
dk1theta1 = np.exp(-ly*dist)*2*(-lu)/(lu+ly)**3
#c=np.sqrt(3)
#t1=c/lu
#t2=1/ly
#dk1theta1=np.exp(-dist*ly)*t2*( (2*c*t2+2*t1)/(c*t2+t1)**2 -2*(2*c*t2*t1+t1**2)/(c*t2+t1)**3 )
dk2theta1 = 1*(
np.exp(-lu*dist)*dist*(-ly+2*lu-lu*ly*dist+dist*lu**2)*(ly-lu)**(-2) + np.exp(-lu*dist)*(-2+ly*dist-2*dist*lu)*(ly-lu)**(-2)
+np.exp(-dist*lu)*(ly-2*lu+ly*lu*dist-dist*lu**2)*2*(ly-lu)**(-3)
+np.exp(-dist*ly)*2*(ly-lu)**(-2)
+np.exp(-dist*ly)*2*(2*lu-ly)*(ly-lu)**(-3)
)
dk3theta1 = np.exp(-dist*lu)*(lu+ly)**(-2)*((2*lu+ly+dist*lu**2+lu*ly*dist)*(-dist-2/(lu+ly))+2+2*lu*dist+ly*dist)
dktheta1 = self.varianceU*self.varianceY*(dk1theta1+dk2theta1+dk3theta1)
dk1theta2 = np.exp(-ly*dist) * ((lu+ly)**(-2)) * ( (-dist)*(2*lu+ly) + 1 + (-2)*(2*lu+ly)/(lu+ly) )
dk2theta2 = 1*(
np.exp(-dist*lu)*(ly-lu)**(-2) * ( 1+lu*dist+(-2)*(ly-2*lu+lu*ly*dist-dist*lu**2)*(ly-lu)**(-1) )
+np.exp(-dist*ly)*(ly-lu)**(-2) * ( (-dist)*(2*lu-ly) -1+(2*lu-ly)*(-2)*(ly-lu)**(-1) )
)
dk3theta2 = np.exp(-dist*lu) * (-3*lu-ly-dist*lu**2-lu*ly*dist)/(lu+ly)**3
dktheta2 = self.varianceU*self.varianceY*(dk1theta2 + dk2theta2 +dk3theta2)
k1 = np.exp(-ly*dist)*(2*lu+ly)/(lu+ly)**2
k2 = (np.exp(-lu*dist)*(ly-2*lu+lu*ly*dist-lu**2*dist) + np.exp(-ly*dist)*(2*lu-ly) ) / (ly-lu)**2
k3 = np.exp(-lu*dist) * ( (1+lu*dist)/(lu+ly) + (lu)/(lu+ly)**2 )
dkdvar = k1+k2+k3
target[0] += np.sum(self.varianceY*dkdvar * dL_dK)
target[1] += np.sum(self.varianceU*dkdvar * dL_dK)
target[2] += np.sum(dktheta1*(-np.sqrt(3)*self.lengthscaleU**(-2)) * dL_dK)
target[3] += np.sum(dktheta2*(-self.lengthscaleY**(-2)) * dL_dK)
# def dKdiag_dtheta(self, dL_dKdiag, X, target):
# """derivative of the diagonal of the covariance matrix with respect to the parameters."""
# # NB: derivative of diagonal elements wrt lengthscale is 0
# target[0] += np.sum(dL_dKdiag)
# def dK_dX(self, dL_dK, X, X2, target):
# """derivative of the covariance matrix with respect to X."""
# if X2 is None: X2 = X
# dist = np.sqrt(np.sum(np.square((X[:, None, :] - X2[None, :, :]) / self.lengthscale), -1))[:, :, None]
# ddist_dX = (X[:, None, :] - X2[None, :, :]) / self.lengthscale ** 2 / np.where(dist != 0., dist, np.inf)
# dK_dX = -np.transpose(self.variance * np.exp(-dist) * ddist_dX, (1, 0, 2))
# target += np.sum(dK_dX * dL_dK.T[:, :, None], 0)
# def dKdiag_dX(self, dL_dKdiag, X, target):
# pass

View file

@ -2,6 +2,7 @@ import bias
import Brownian
import coregionalize
import exponential
import eq_ode1
import finite_dimensional
import fixed
import gibbs
@ -12,6 +13,7 @@ import linear
import Matern32
import Matern52
import mlp
import ODE_1
import periodic_exponential
import periodic_Matern32
import periodic_Matern52

View file

@ -13,8 +13,7 @@ class Coregionalize(Kernpart):
This covariance has the form:
.. math::
\mathbf{B} = \mathbf{W}\mathbf{W}^\top + kappa \mathbf{I}
\mathbf{B} = \mathbf{W}\mathbf{W}^\top + \text{diag}(kappa)
An intrinsic/linear coregionalization covariance function of the form:
.. math::
@ -24,33 +23,35 @@ class Coregionalize(Kernpart):
it is obtained as the tensor product between a covariance function
k(x,y) and B.
:param num_outputs: number of outputs to coregionalize
:type num_outputs: int
:param W_columns: number of columns of the W matrix (this parameter is ignored if parameter W is not None)
:type W_colunns: int
:param output_dim: number of outputs to coregionalize
:type output_dim: int
:param rank: number of columns of the W matrix (this parameter is ignored if parameter W is not None)
:type rank: int
:param W: a low rank matrix that determines the correlations between the different outputs, together with kappa it forms the coregionalization matrix B
:type W: numpy array of dimensionality (num_outpus, W_columns)
:param kappa: a vector which allows the outputs to behave independently
:type kappa: numpy array of dimensionality (num_outputs,)
:type kappa: numpy array of dimensionality (output_dim,)
.. note: see coregionalization examples in GPy.examples.regression for some usage.
"""
def __init__(self,num_outputs,W_columns=1, W=None, kappa=None):
def __init__(self, output_dim, rank=1, W=None, kappa=None):
self.input_dim = 1
self.name = 'coregion'
self.num_outputs = num_outputs
self.W_columns = W_columns
self.output_dim = output_dim
self.rank = rank
if self.rank>output_dim-1:
print("Warning: Unusual choice of rank, it should normally be less than the output_dim.")
if W is None:
self.W = 0.5*np.random.randn(self.num_outputs,self.W_columns)/np.sqrt(self.W_columns)
self.W = 0.5*np.random.randn(self.output_dim,self.rank)/np.sqrt(self.rank)
else:
assert W.shape==(self.num_outputs,self.W_columns)
assert W.shape==(self.output_dim,self.rank)
self.W = W
if kappa is None:
kappa = 0.5*np.ones(self.num_outputs)
kappa = 0.5*np.ones(self.output_dim)
else:
assert kappa.shape==(self.num_outputs,)
assert kappa.shape==(self.output_dim,)
self.kappa = kappa
self.num_params = self.num_outputs*(self.W_columns + 1)
self.num_params = self.output_dim*(self.rank + 1)
self._set_params(np.hstack([self.W.flatten(),self.kappa]))
def _get_params(self):
@ -58,12 +59,12 @@ class Coregionalize(Kernpart):
def _set_params(self,x):
assert x.size == self.num_params
self.kappa = x[-self.num_outputs:]
self.W = x[:-self.num_outputs].reshape(self.num_outputs,self.W_columns)
self.kappa = x[-self.output_dim:]
self.W = x[:-self.output_dim].reshape(self.output_dim,self.rank)
self.B = np.dot(self.W,self.W.T) + np.diag(self.kappa)
def _get_param_names(self):
return sum([['W%i_%i'%(i,j) for j in range(self.W_columns)] for i in range(self.num_outputs)],[]) + ['kappa_%i'%i for i in range(self.num_outputs)]
return sum([['W%i_%i'%(i,j) for j in range(self.rank)] for i in range(self.output_dim)],[]) + ['kappa_%i'%i for i in range(self.output_dim)]
def K(self,index,index2,target):
index = np.asarray(index,dtype=np.int)
@ -81,26 +82,26 @@ class Coregionalize(Kernpart):
if index2 is None:
code="""
for(int i=0;i<N; i++){
target[i+i*N] += B[index[i]+num_outputs*index[i]];
target[i+i*N] += B[index[i]+output_dim*index[i]];
for(int j=0; j<i; j++){
target[j+i*N] += B[index[i]+num_outputs*index[j]];
target[j+i*N] += B[index[i]+output_dim*index[j]];
target[i+j*N] += target[j+i*N];
}
}
"""
N,B,num_outputs = index.size, self.B, self.num_outputs
weave.inline(code,['target','index','N','B','num_outputs'])
N,B,output_dim = index.size, self.B, self.output_dim
weave.inline(code,['target','index','N','B','output_dim'])
else:
index2 = np.asarray(index2,dtype=np.int)
code="""
for(int i=0;i<num_inducing; i++){
for(int j=0; j<N; j++){
target[i+j*num_inducing] += B[num_outputs*index[j]+index2[i]];
target[i+j*num_inducing] += B[output_dim*index[j]+index2[i]];
}
}
"""
N,num_inducing,B,num_outputs = index.size,index2.size, self.B, self.num_outputs
weave.inline(code,['target','index','index2','N','num_inducing','B','num_outputs'])
N,num_inducing,B,output_dim = index.size,index2.size, self.B, self.output_dim
weave.inline(code,['target','index','index2','N','num_inducing','B','output_dim'])
def Kdiag(self,index,target):
@ -117,12 +118,12 @@ class Coregionalize(Kernpart):
code="""
for(int i=0; i<num_inducing; i++){
for(int j=0; j<N; j++){
dL_dK_small[index[j] + num_outputs*index2[i]] += dL_dK[i+j*num_inducing];
dL_dK_small[index[j] + output_dim*index2[i]] += dL_dK[i+j*num_inducing];
}
}
"""
N, num_inducing, num_outputs = index.size, index2.size, self.num_outputs
weave.inline(code, ['N','num_inducing','num_outputs','dL_dK','dL_dK_small','index','index2'])
N, num_inducing, output_dim = index.size, index2.size, self.output_dim
weave.inline(code, ['N','num_inducing','output_dim','dL_dK','dL_dK_small','index','index2'])
dkappa = np.diag(dL_dK_small)
dL_dK_small += dL_dK_small.T
@ -139,8 +140,8 @@ class Coregionalize(Kernpart):
ii,jj = ii.T, jj.T
dL_dK_small = np.zeros_like(self.B)
for i in range(self.num_outputs):
for j in range(self.num_outputs):
for i in range(self.output_dim):
for j in range(self.output_dim):
tmp = np.sum(dL_dK[(ii==i)*(jj==j)])
dL_dK_small[i,j] = tmp
@ -152,8 +153,8 @@ class Coregionalize(Kernpart):
def dKdiag_dtheta(self,dL_dKdiag,index,target):
index = np.asarray(index,dtype=np.int).flatten()
dL_dKdiag_small = np.zeros(self.num_outputs)
for i in range(self.num_outputs):
dL_dKdiag_small = np.zeros(self.output_dim)
for i in range(self.output_dim):
dL_dKdiag_small[i] += np.sum(dL_dKdiag[index==i])
dW = 2.*self.W*dL_dKdiag_small[:,None]
dkappa = dL_dKdiag_small

556
GPy/kern/parts/eq_ode1.py Normal file
View file

@ -0,0 +1,556 @@
# Copyright (c) 2013, GPy Authors, see AUTHORS.txt
# Licensed under the BSD 3-clause license (see LICENSE.txt)
from kernpart import Kernpart
import numpy as np
from GPy.util.linalg import mdot, pdinv
from GPy.util.ln_diff_erfs import ln_diff_erfs
import pdb
from scipy import weave
class Eq_ode1(Kernpart):
"""
Covariance function for first order differential equation driven by an exponentiated quadratic covariance.
This outputs of this kernel have the form
.. math::
\frac{\text{d}y_j}{\text{d}t} = \sum_{i=1}^R w_{j,i} f_i(t-\delta_j) +\sqrt{\kappa_j}g_j(t) - d_jy_j(t)
where :math:`R` is the rank of the system, :math:`w_{j,i}` is the sensitivity of the :math:`j`th output to the :math:`i`th latent function, :math:`d_j` is the decay rate of the :math:`j`th output and :math:`f_i(t)` and :math:`g_i(t)` are independent latent Gaussian processes goverened by an exponentiated quadratic covariance.
:param output_dim: number of outputs driven by latent function.
:type output_dim: int
:param W: sensitivities of each output to the latent driving function.
:type W: ndarray (output_dim x rank).
:param rank: If rank is greater than 1 then there are assumed to be a total of rank latent forces independently driving the system, each with identical covariance.
:type rank: int
:param decay: decay rates for the first order system.
:type decay: array of length output_dim.
:param delay: delay between latent force and output response.
:type delay: array of length output_dim.
:param kappa: diagonal term that allows each latent output to have an independent component to the response.
:type kappa: array of length output_dim.
.. Note: see first order differential equation examples in GPy.examples.regression for some usage.
"""
def __init__(self,output_dim, W=None, rank=1, kappa=None, lengthscale=1.0, decay=None, delay=None):
self.rank = rank
self.input_dim = 1
self.name = 'eq_ode1'
self.output_dim = output_dim
self.lengthscale = lengthscale
self.num_params = self.output_dim*self.rank + 1 + (self.output_dim - 1)
if kappa is not None:
self.num_params+=self.output_dim
if delay is not None:
assert delay.shape==(self.output_dim-1,)
self.num_params+=self.output_dim-1
self.rank = rank
if W is None:
self.W = 0.5*np.random.randn(self.output_dim,self.rank)/np.sqrt(self.rank)
else:
assert W.shape==(self.output_dim,self.rank)
self.W = W
if decay is None:
self.decay = np.ones(self.output_dim-1)
if kappa is not None:
assert kappa.shape==(self.output_dim,)
self.kappa = kappa
self.delay = delay
self.is_normalized = True
self.is_stationary = False
self.gaussian_initial = False
self._set_params(self._get_params())
def _get_params(self):
param_list = [self.W.flatten()]
if self.kappa is not None:
param_list.append(self.kappa)
param_list.append(self.decay)
if self.delay is not None:
param_list.append(self.delay)
param_list.append(self.lengthscale)
return np.hstack(param_list)
def _set_params(self,x):
assert x.size == self.num_params
end = self.output_dim*self.rank
self.W = x[:end].reshape(self.output_dim,self.rank)
start = end
self.B = np.dot(self.W,self.W.T)
if self.kappa is not None:
end+=self.output_dim
self.kappa = x[start:end]
self.B += np.diag(self.kappa)
start=end
end+=self.output_dim-1
self.decay = x[start:end]
start=end
if self.delay is not None:
end+=self.output_dim-1
self.delay = x[start:end]
start=end
end+=1
self.lengthscale = x[start]
self.sigma = np.sqrt(2)*self.lengthscale
def _get_param_names(self):
param_names = sum([['W%i_%i'%(i,j) for j in range(self.rank)] for i in range(self.output_dim)],[])
if self.kappa is not None:
param_names += ['kappa_%i'%i for i in range(self.output_dim)]
param_names += ['decay_%i'%i for i in range(1,self.output_dim)]
if self.delay is not None:
param_names += ['delay_%i'%i for i in 1+range(1,self.output_dim)]
param_names+= ['lengthscale']
return param_names
def K(self,X,X2,target):
if X.shape[1] > 2:
raise ValueError('Input matrix for ode1 covariance should have at most two columns, one containing times, the other output indices')
self._K_computations(X, X2)
target += self._scale*self._K_dvar
if self.gaussian_initial:
# Add covariance associated with initial condition.
t1_mat = self._t[self._rorder, None]
t2_mat = self._t2[None, self._rorder2]
target+=self.initial_variance * np.exp(- self.decay * (t1_mat + t2_mat))
def Kdiag(self,index,target):
#target += np.diag(self.B)[np.asarray(index,dtype=np.int).flatten()]
pass
def dK_dtheta(self,dL_dK,X,X2,target):
# First extract times and indices.
self._extract_t_indices(X, X2, dL_dK=dL_dK)
self._dK_ode_dtheta(target)
def _dK_ode_dtheta(self, target):
"""Do all the computations for the ode parts of the covariance function."""
t_ode = self._t[self._index>0]
dL_dK_ode = self._dL_dK[self._index>0, :]
index_ode = self._index[self._index>0]-1
if self._t2 is None:
if t_ode.size==0:
return
t2_ode = t_ode
dL_dK_ode = dL_dK_ode[:, self._index>0]
index2_ode = index_ode
else:
t2_ode = self._t2[self._index2>0]
dL_dK_ode = dL_dK_ode[:, self._index2>0]
if t_ode.size==0 or t2_ode.size==0:
return
index2_ode = self._index2[self._index2>0]-1
h1 = self._compute_H(t_ode, index_ode, t2_ode, index2_ode, stationary=self.is_stationary, update_derivatives=True)
#self._dK_ddelay = self._dh_ddelay
self._dK_dsigma = self._dh_dsigma
if self._t2 is None:
h2 = h1
else:
h2 = self._compute_H(t2_ode, index2_ode, t_ode, index_ode, stationary=self.is_stationary, update_derivatives=True)
#self._dK_ddelay += self._dh_ddelay.T
self._dK_dsigma += self._dh_dsigma.T
# C1 = self.sensitivity
# C2 = self.sensitivity
# K = 0.5 * (h1 + h2.T)
# var2 = C1*C2
# if self.is_normalized:
# dk_dD1 = (sum(sum(dL_dK.*dh1_dD1)) + sum(sum(dL_dK.*dh2_dD1.T)))*0.5*var2
# dk_dD2 = (sum(sum(dL_dK.*dh1_dD2)) + sum(sum(dL_dK.*dh2_dD2.T)))*0.5*var2
# dk_dsigma = 0.5 * var2 * sum(sum(dL_dK.*dK_dsigma))
# dk_dC1 = C2 * sum(sum(dL_dK.*K))
# dk_dC2 = C1 * sum(sum(dL_dK.*K))
# else:
# K = np.sqrt(np.pi) * K
# dk_dD1 = (sum(sum(dL_dK.*dh1_dD1)) + * sum(sum(dL_dK.*K))
# dk_dC2 = self.sigma * C1 * sum(sum(dL_dK.*K))
# dk_dSim1Variance = dk_dC1
# Last element is the length scale.
(dL_dK_ode[:, :, None]*self._dh_ddelay[:, None, :]).sum(2)
target[-1] += (dL_dK_ode*self._dK_dsigma/np.sqrt(2)).sum()
# # only pass the gradient with respect to the inverse width to one
# # of the gradient vectors ... otherwise it is counted twice.
# g1 = real([dk_dD1 dk_dinvWidth dk_dSim1Variance])
# g2 = real([dk_dD2 0 dk_dSim2Variance])
# return g1, g2"""
def dKdiag_dtheta(self,dL_dKdiag,index,target):
pass
def dK_dX(self,dL_dK,X,X2,target):
pass
def _extract_t_indices(self, X, X2=None, dL_dK=None):
"""Extract times and output indices from the input matrix X. Times are ordered according to their index for convenience of computation, this ordering is stored in self._order and self.order2. These orderings are then mapped back to the original ordering (in X) using self._rorder and self._rorder2. """
# TODO: some fast checking here to see if this needs recomputing?
self._t = X[:, 0]
if not X.shape[1] == 2:
raise ValueError('Input matrix for ode1 covariance should have two columns, one containing times, the other output indices')
self._index = np.asarray(X[:, 1],dtype=np.int)
# Sort indices so that outputs are in blocks for computational
# convenience.
self._order = self._index.argsort()
self._index = self._index[self._order]
self._t = self._t[self._order]
self._rorder = self._order.argsort() # rorder is for reversing the order
if X2 is None:
self._t2 = None
self._index2 = None
self._order2 = self._order
self._rorder2 = self._rorder
else:
if not X2.shape[1] == 2:
raise ValueError('Input matrix for ode1 covariance should have two columns, one containing times, the other output indices')
self._t2 = X2[:, 0]
self._index2 = np.asarray(X2[:, 1],dtype=np.int)
self._order2 = self._index2.argsort()
self._index2 = self._index2[self._order2]
self._t2 = self._t2[self._order2]
self._rorder2 = self._order2.argsort() # rorder2 is for reversing order
if dL_dK is not None:
self._dL_dK = dL_dK[self._order, :]
self._dL_dK = self._dL_dK[:, self._order2]
def _K_computations(self, X, X2):
"""Perform main body of computations for the ode1 covariance function."""
# First extract times and indices.
self._extract_t_indices(X, X2)
self._K_compute_eq()
self._K_compute_ode_eq()
if X2 is None:
self._K_eq_ode = self._K_ode_eq.T
else:
self._K_compute_ode_eq(transpose=True)
self._K_compute_ode()
if X2 is None:
self._K_dvar = np.zeros((self._t.shape[0], self._t.shape[0]))
else:
self._K_dvar = np.zeros((self._t.shape[0], self._t2.shape[0]))
# Reorder values of blocks for placing back into _K_dvar.
self._K_dvar = np.vstack((np.hstack((self._K_eq, self._K_eq_ode)),
np.hstack((self._K_ode_eq, self._K_ode))))
self._K_dvar = self._K_dvar[self._rorder, :]
self._K_dvar = self._K_dvar[:, self._rorder2]
if X2 is None:
# Matrix giving scales of each output
self._scale = np.zeros((self._t.size, self._t.size))
code="""
for(int i=0;i<N; i++){
scale_mat[i+i*N] = B[index[i]+output_dim*(index[i])];
for(int j=0; j<i; j++){
scale_mat[j+i*N] = B[index[i]+output_dim*index[j]];
scale_mat[i+j*N] = scale_mat[j+i*N];
}
}
"""
scale_mat, B, index = self._scale, self.B, self._index
N, output_dim = self._t.size, self.output_dim
weave.inline(code,['index',
'scale_mat', 'B',
'N', 'output_dim'])
else:
self._scale = np.zeros((self._t.size, self._t2.size))
code = """
for(int i=0; i<N; i++){
for(int j=0; j<N2; j++){
scale_mat[i+j*N] = B[index[i]+output_dim*index2[j]];
}
}
"""
scale_mat, B, index, index2 = self._scale, self.B, self._index, self._index2
N, N2, output_dim = self._t.size, self._t2.size, self.output_dim
weave.inline(code, ['index', 'index2',
'scale_mat', 'B',
'N', 'N2', 'output_dim'])
def _K_compute_eq(self):
"""Compute covariance for latent covariance."""
t_eq = self._t[self._index==0]
if self._t2 is None:
if t_eq.size==0:
self._K_eq = np.zeros((0, 0))
return
self._dist2 = np.square(t_eq[:, None] - t_eq[None, :])
else:
t2_eq = self._t2[self._index2==0]
if t_eq.size==0 or t2_eq.size==0:
self._K_eq = np.zeros((t_eq.size, t2_eq.size))
return
self._dist2 = np.square(t_eq[:, None] - t2_eq[None, :])
self._K_eq = np.exp(-self._dist2/(2*self.lengthscale*self.lengthscale))
if self.is_normalized:
self._K_eq/=(np.sqrt(2*np.pi)*self.lengthscale)
def _K_compute_ode_eq(self, transpose=False):
"""Compute the cross covariances between latent exponentiated quadratic and observed ordinary differential equations.
:param transpose: if set to false the exponentiated quadratic is on the rows of the matrix and is computed according to self._t, if set to true it is on the columns and is computed according to self._t2 (default=False).
:type transpose: bool"""
if self._t2 is not None:
if transpose:
t_eq = self._t[self._index==0]
t_ode = self._t2[self._index2>0]
index_ode = self._index2[self._index2>0]-1
else:
t_eq = self._t2[self._index2==0]
t_ode = self._t[self._index>0]
index_ode = self._index[self._index>0]-1
else:
t_eq = self._t[self._index==0]
t_ode = self._t[self._index>0]
index_ode = self._index[self._index>0]-1
if t_ode.size==0 or t_eq.size==0:
if transpose:
self._K_eq_ode = np.zeros((t_eq.shape[0], t_ode.shape[0]))
else:
self._K_ode_eq = np.zeros((t_ode.shape[0], t_eq.shape[0]))
return
t_ode_mat = t_ode[:, None]
t_eq_mat = t_eq[None, :]
if self.delay is not None:
t_ode_mat -= self.delay[index_ode, None]
diff_t = (t_ode_mat - t_eq_mat)
inv_sigma_diff_t = 1./self.sigma*diff_t
decay_vals = self.decay[index_ode][:, None]
half_sigma_d_i = 0.5*self.sigma*decay_vals
if self.is_stationary:
ln_part, signs = ln_diff_erfs(inf, half_sigma_d_i - inv_sigma_diff_t, return_sign=True)
else:
ln_part, signs = ln_diff_erfs(half_sigma_d_i + t_eq_mat/self.sigma, half_sigma_d_i - inv_sigma_diff_t, return_sign=True)
sK = signs*np.exp(half_sigma_d_i*half_sigma_d_i - decay_vals*diff_t + ln_part)
sK *= 0.5
if not self.is_normalized:
sK *= np.sqrt(np.pi)*self.sigma
if transpose:
self._K_eq_ode = sK.T
else:
self._K_ode_eq = sK
def _K_compute_ode(self):
# Compute covariances between outputs of the ODE models.
t_ode = self._t[self._index>0]
index_ode = self._index[self._index>0]-1
if self._t2 is None:
if t_ode.size==0:
self._K_ode = np.zeros((0, 0))
return
t2_ode = t_ode
index2_ode = index_ode
else:
t2_ode = self._t2[self._index2>0]
if t_ode.size==0 or t2_ode.size==0:
self._K_ode = np.zeros((t_ode.size, t2_ode.size))
return
index2_ode = self._index2[self._index2>0]-1
# When index is identical
h = self._compute_H(t_ode, index_ode, t2_ode, index2_ode, stationary=self.is_stationary)
if self._t2 is None:
self._K_ode = 0.5 * (h + h.T)
else:
h2 = self._compute_H(t2_ode, index2_ode, t_ode, index_ode, stationary=self.is_stationary)
self._K_ode = 0.5 * (h + h2.T)
if not self.is_normalized:
self._K_ode *= np.sqrt(np.pi)*self.sigma
def _compute_diag_H(self, t, index, update_derivatives=False, stationary=False):
"""Helper function for computing H for the diagonal only.
:param t: time input.
:type t: array
:param index: first output indices
:type index: array of int.
:param index: second output indices
:type index: array of int.
:param update_derivatives: whether or not to update the derivative portions (default False).
:type update_derivatives: bool
:param stationary: whether to compute the stationary version of the covariance (default False).
:type stationary: bool"""
"""if delta_i~=delta_j:
[h, dh_dD_i, dh_dD_j, dh_dsigma] = np.diag(simComputeH(t, index, t, index, update_derivatives=True, stationary=self.is_stationary))
else:
Decay = self.decay[index]
if self.delay is not None:
t = t - self.delay[index]
t_squared = t*t
half_sigma_decay = 0.5*self.sigma*Decay
[ln_part_1, sign1] = ln_diff_erfs(half_sigma_decay + t/self.sigma,
half_sigma_decay)
[ln_part_2, sign2] = ln_diff_erfs(half_sigma_decay,
half_sigma_decay - t/self.sigma)
h = (sign1*np.exp(half_sigma_decay*half_sigma_decay
+ ln_part_1
- log(Decay + D_j))
- sign2*np.exp(half_sigma_decay*half_sigma_decay
- (Decay + D_j)*t
+ ln_part_2
- log(Decay + D_j)))
sigma2 = self.sigma*self.sigma
if update_derivatives:
dh_dD_i = ((0.5*Decay*sigma2*(Decay + D_j)-1)*h
+ t*sign2*np.exp(
half_sigma_decay*half_sigma_decay-(Decay+D_j)*t + ln_part_2
)
+ self.sigma/np.sqrt(np.pi)*
(-1 + np.exp(-t_squared/sigma2-Decay*t)
+ np.exp(-t_squared/sigma2-D_j*t)
- np.exp(-(Decay + D_j)*t)))
dh_dD_i = (dh_dD_i/(Decay+D_j)).real
dh_dD_j = (t*sign2*np.exp(
half_sigma_decay*half_sigma_decay-(Decay + D_j)*t+ln_part_2
)
-h)
dh_dD_j = (dh_dD_j/(Decay + D_j)).real
dh_dsigma = 0.5*Decay*Decay*self.sigma*h \
+ 2/(np.sqrt(np.pi)*(Decay+D_j))\
*((-Decay/2) \
+ (-t/sigma2+Decay/2)*np.exp(-t_squared/sigma2 - Decay*t) \
- (-t/sigma2-Decay/2)*np.exp(-t_squared/sigma2 - D_j*t) \
- Decay/2*np.exp(-(Decay+D_j)*t))"""
pass
def _compute_H(self, t, index, t2, index2, update_derivatives=False, stationary=False):
"""Helper function for computing part of the ode1 covariance function.
:param t: first time input.
:type t: array
:param index: Indices of first output.
:type index: array of int
:param t2: second time input.
:type t2: array
:param index2: Indices of second output.
:type index2: array of int
:param update_derivatives: whether to update derivatives (default is False)
:return h : result of this subcomponent of the kernel for the given values.
:rtype: ndarray
"""
if stationary:
raise NotImplementedError, "Error, stationary version of this covariance not yet implemented."
# Vector of decays and delays associated with each output.
Decay = self.decay[index]
Decay2 = self.decay[index2]
t_mat = t[:, None]
t2_mat = t2[None, :]
if self.delay is not None:
Delay = self.delay[index]
Delay2 = self.delay[index2]
t_mat-=Delay[:, None]
t2_mat-=Delay2[None, :]
diff_t = (t_mat - t2_mat)
inv_sigma_diff_t = 1./self.sigma*diff_t
half_sigma_decay_i = 0.5*self.sigma*Decay[:, None]
ln_part_1, sign1 = ln_diff_erfs(half_sigma_decay_i + t2_mat/self.sigma,
half_sigma_decay_i - inv_sigma_diff_t,
return_sign=True)
ln_part_2, sign2 = ln_diff_erfs(half_sigma_decay_i,
half_sigma_decay_i - t_mat/self.sigma,
return_sign=True)
h = sign1*np.exp(half_sigma_decay_i
*half_sigma_decay_i
-Decay[:, None]*diff_t+ln_part_1
-np.log(Decay[:, None] + Decay2[None, :]))
h -= sign2*np.exp(half_sigma_decay_i*half_sigma_decay_i
-Decay[:, None]*t_mat-Decay2[None, :]*t2_mat+ln_part_2
-np.log(Decay[:, None] + Decay2[None, :]))
if update_derivatives:
sigma2 = self.sigma*self.sigma
# Update ith decay gradient
dh_ddecay = ((0.5*Decay[:, None]*sigma2*(Decay[:, None] + Decay2[None, :])-1)*h
+ (-diff_t*sign1*np.exp(
half_sigma_decay_i*half_sigma_decay_i-Decay[:, None]*diff_t+ln_part_1
)
+t_mat*sign2*np.exp(
half_sigma_decay_i*half_sigma_decay_i-Decay[:, None]*t_mat
- Decay2*t2_mat+ln_part_2))
+self.sigma/np.sqrt(np.pi)*(
-np.exp(
-diff_t*diff_t/sigma2
)+np.exp(
-t2_mat*t2_mat/sigma2-Decay[:, None]*t_mat
)+np.exp(
-t_mat*t_mat/sigma2-Decay2[None, :]*t2_mat
)-np.exp(
-(Decay[:, None]*t_mat + Decay2[None, :]*t2_mat)
)
))
self._dh_ddecay = (dh_ddecay/(Decay[:, None]+Decay2[None, :])).real
# Update jth decay gradient
dh_ddecay2 = (t2_mat*sign2
*np.exp(
half_sigma_decay_i*half_sigma_decay_i
-(Decay[:, None]*t_mat + Decay2[None, :]*t2_mat)
+ln_part_2
)
-h)
self._dh_ddecay2 = (dh_ddecay/(Decay[:, None] + Decay2[None, :])).real
# Update sigma gradient
self._dh_dsigma = (half_sigma_decay_i*Decay[:, None]*h
+ 2/(np.sqrt(np.pi)
*(Decay[:, None]+Decay2[None, :]))
*((-diff_t/sigma2-Decay[:, None]/2)
*np.exp(-diff_t*diff_t/sigma2)
+ (-t2_mat/sigma2+Decay[:, None]/2)
*np.exp(-t2_mat*t2_mat/sigma2-Decay[:, None]*t_mat)
- (-t_mat/sigma2-Decay[:, None]/2)
*np.exp(-t_mat*t_mat/sigma2-Decay2[None, :]*t2_mat)
- Decay[:, None]/2
*np.exp(-(Decay[:, None]*t_mat+Decay2[None, :]*t2_mat))))
return h

38
GPy/kern/parts/odekern1.c Normal file
View file

@ -0,0 +1,38 @@
#include <math.h>
double k_uu(t1,t2,theta1,theta2,sig1,sig2)
{
double kern=0;
double dist=0;
dist = sqrt(t2*t2-t1*t1)
kern = sig1*(1+theta1*dist)*exp(-theta1*dist)
return kern;
}
double k_yy(t1, t2, theta1,theta2,sig1,sig2)
{
double kern=0;
double dist=0;
dist = sqrt(t2*t2-t1*t1)
kern = sig1*sig2 * ( exp(-theta1*dist)*(theta2-2*theta1+theta1*theta2*dist-theta1*theta1*dist) +
exp(-dist) ) / ((theta2-theta1)*(theta2-theta1))
return kern;
}

View file

@ -22,8 +22,7 @@ class POLY(Kernpart):
The kernel is not recommended as it is badly behaved when the
:math:`\sigma^2_w\*x'\*y + \sigma^2_b` has a magnitude greater than one. For completeness
there is an automatic relevance determination version of this
kernel provided.
kernel provided (NOTE YET IMPLEMENTED!).
:param input_dim: the number of input dimensions
:type input_dim: int
:param variance: the variance :math:`\sigma^2`

View file

@ -1,6 +1,7 @@
#include <math.h>
double DiracDelta(double x){
if((x<0.000001) & (x>-0.000001))//go on, laught at my c++ skills
// TODO: this doesn't seem to be a dirac delta ... should return infinity. Neil
if((x<0.000001) & (x>-0.000001))//go on, laugh at my c++ skills
return 1.0;
else
return 0.0;
@ -8,3 +9,17 @@ double DiracDelta(double x){
double DiracDelta(double x,int foo){
return 0.0;
};
double sinc(double x){
if (x==0)
return 1.0;
else
return sin(x)/x;
}
double sinc_grad(double x){
if (x==0)
return 0.0;
else
return (x*cos(x) - sin(x))/(x*x);
}

View file

@ -1,3 +1,6 @@
#include <math.h>
double DiracDelta(double x);
double DiracDelta(double x, int foo);
double sinc(double x);
double sinc_grad(double x);

View file

@ -26,8 +26,11 @@ class spkern(Kernpart):
- to handle multiple inputs, call them x1, z1, etc
- to handle multpile correlated outputs, you'll need to define each covariance function and 'cross' variance function. TODO
"""
def __init__(self,input_dim,k,param=None):
self.name='sympykern'
def __init__(self,input_dim,k,name=None,param=None):
if name is None:
self.name='sympykern'
else:
self.name = name
self._sp_k = k
sp_vars = [e for e in k.atoms() if e.is_Symbol]
self._sp_x= sorted([e for e in sp_vars if e.name[0]=='x'],key=lambda x:int(x.name[1:]))
@ -56,9 +59,9 @@ class spkern(Kernpart):
self.weave_kwargs = {\
'support_code':self._function_code,\
'include_dirs':[tempfile.gettempdir(), os.path.join(current_dir,'kern/')],\
'include_dirs':[tempfile.gettempdir(), os.path.join(current_dir,'parts/')],\
'headers':['"sympy_helpers.h"'],\
'sources':[os.path.join(current_dir,"kern/sympy_helpers.cpp")],\
'sources':[os.path.join(current_dir,"parts/sympy_helpers.cpp")],\
#'extra_compile_args':['-ftree-vectorize', '-mssse3', '-ftree-vectorizer-verbose=5'],\
'extra_compile_args':[],\
'extra_link_args':['-lgomp'],\
@ -109,14 +112,15 @@ class spkern(Kernpart):
f.write(self._function_header)
f.close()
#get rid of derivatives of DiracDelta
# Substitute any known derivatives which sympy doesn't compute
self._function_code = re.sub('DiracDelta\(.+?,.+?\)','0.0',self._function_code)
#Here's some code to do the looping for K
arglist = ", ".join(["X[i*input_dim+%s]"%x.name[1:] for x in self._sp_x]\
+ ["Z[j*input_dim+%s]"%z.name[1:] for z in self._sp_z]\
+ ["param[%i]"%i for i in range(self.num_params)])
# Here's the code to do the looping for K
arglist = ", ".join(["X[i*input_dim+%s]"%x.name[1:] for x in self._sp_x]
+ ["Z[j*input_dim+%s]"%z.name[1:] for z in self._sp_z]
+ ["param[%i]"%i for i in range(self.num_params)])
self._K_code =\
"""
int i;
@ -133,9 +137,14 @@ class spkern(Kernpart):
%s
"""%(arglist,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
# Similar code when only X is provided.
self._K_code_X = self._K_code.replace('Z[', 'X[')
# Code to compute diagonal of covariance.
diag_arglist = re.sub('Z','X',arglist)
diag_arglist = re.sub('j','i',diag_arglist)
#Here's some code to do the looping for Kdiag
# Code to do the looping for Kdiag
self._Kdiag_code =\
"""
int i;
@ -148,8 +157,9 @@ class spkern(Kernpart):
%s
"""%(diag_arglist,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
#here's some code to compute gradients
# Code to compute gradients
funclist = '\n'.join([' '*16 + 'target[%i] += partial[i*num_inducing+j]*dk_d%s(%s);'%(i,theta.name,arglist) for i,theta in enumerate(self._sp_theta)])
self._dK_dtheta_code =\
"""
int i;
@ -164,9 +174,12 @@ class spkern(Kernpart):
}
}
%s
"""%(funclist,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
"""%(funclist,"/*"+str(self._sp_k)+"*/") # adding a string representation forces recompile when needed
#here's some code to compute gradients for Kdiag TODO: thius is yucky.
# Similar code when only X is provided, change argument lists.
self._dK_dtheta_code_X = self._dK_dtheta_code.replace('Z[', 'X[')
# Code to compute gradients for Kdiag TODO: needs clean up
diag_funclist = re.sub('Z','X',funclist,count=0)
diag_funclist = re.sub('j','i',diag_funclist)
diag_funclist = re.sub('partial\[i\*num_inducing\+i\]','partial[i]',diag_funclist)
@ -181,8 +194,12 @@ class spkern(Kernpart):
%s
"""%(diag_funclist,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
#Here's some code to do gradients wrt x
# Code for gradients wrt X
gradient_funcs = "\n".join(["target[i*input_dim+%i] += partial[i*num_inducing+j]*dk_dx%i(%s);"%(q,q,arglist) for q in range(self.input_dim)])
if False:
gradient_funcs += """if(isnan(target[i*input_dim+2])){printf("%%f\\n",dk_dx2(X[i*input_dim+0], X[i*input_dim+1], X[i*input_dim+2], Z[j*input_dim+0], Z[j*input_dim+1], Z[j*input_dim+2], param[0], param[1], param[2], param[3], param[4], param[5]));}
if(isnan(target[i*input_dim+2])){printf("%%f,%%f,%%i,%%i\\n", X[i*input_dim+2], Z[j*input_dim+2],i,j);}"""
self._dK_dX_code = \
"""
int i;
@ -192,30 +209,34 @@ class spkern(Kernpart):
int input_dim = X_array->dimensions[1];
//#pragma omp parallel for private(j)
for (i=0;i<N; i++){
for (j=0; j<num_inducing; j++){
%s
//if(isnan(target[i*input_dim+2])){printf("%%f\\n",dk_dx2(X[i*input_dim+0], X[i*input_dim+1], X[i*input_dim+2], Z[j*input_dim+0], Z[j*input_dim+1], Z[j*input_dim+2], param[0], param[1], param[2], param[3], param[4], param[5]));}
//if(isnan(target[i*input_dim+2])){printf("%%f,%%f,%%i,%%i\\n", X[i*input_dim+2], Z[j*input_dim+2],i,j);}
}
for (j=0; j<num_inducing; j++){
%s
}
}
%s
"""%(gradient_funcs,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
# Create code for call when just X is passed as argument.
self._dK_dX_code_X = self._dK_dX_code.replace('Z[', 'X[').replace('+= partial[', '+= 2*partial[')
#now for gradients of Kdiag wrt X
diag_gradient_funcs = re.sub('Z','X',gradient_funcs,count=0)
diag_gradient_funcs = re.sub('j','i',diag_gradient_funcs)
diag_gradient_funcs = re.sub('partial\[i\*num_inducing\+i\]','2*partial[i]',diag_gradient_funcs)
# Code for gradients of Kdiag wrt X
self._dKdiag_dX_code= \
"""
int i;
int j;
int N = partial_array->dimensions[0];
int num_inducing = 0;
int input_dim = X_array->dimensions[1];
for (i=0;i<N; i++){
j = i;
for (int i=0;i<N; i++){
%s
}
%s
"""%(gradient_funcs,"/*"+str(self._sp_k)+"*/") #adding a string representation forces recompile when needed
"""%(diag_gradient_funcs,"/*"+str(self._sp_k)+"*/") #adding a
# string representation forces recompile when needed Get rid
# of Zs in argument for diagonal. TODO: Why wasn't
# diag_funclist called here? Need to check that.
#self._dKdiag_dX_code = self._dKdiag_dX_code.replace('Z[j', 'X[i')
#TODO: insert multiple functions here via string manipulation
@ -223,7 +244,10 @@ class spkern(Kernpart):
def K(self,X,Z,target):
param = self._param
weave.inline(self._K_code,arg_names=['target','X','Z','param'],**self.weave_kwargs)
if Z is None:
weave.inline(self._K_code_X,arg_names=['target','X','param'],**self.weave_kwargs)
else:
weave.inline(self._K_code,arg_names=['target','X','Z','param'],**self.weave_kwargs)
def Kdiag(self,X,target):
param = self._param
@ -231,21 +255,25 @@ class spkern(Kernpart):
def dK_dtheta(self,partial,X,Z,target):
param = self._param
weave.inline(self._dK_dtheta_code,arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
if Z is None:
weave.inline(self._dK_dtheta_code_X, arg_names=['target','X','param','partial'],**self.weave_kwargs)
else:
weave.inline(self._dK_dtheta_code, arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
def dKdiag_dtheta(self,partial,X,target):
param = self._param
Z = X
weave.inline(self._dKdiag_dtheta_code,arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
weave.inline(self._dKdiag_dtheta_code,arg_names=['target','X','param','partial'],**self.weave_kwargs)
def dK_dX(self,partial,X,Z,target):
param = self._param
weave.inline(self._dK_dX_code,arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
if Z is None:
weave.inline(self._dK_dX_code_X,arg_names=['target','X','param','partial'],**self.weave_kwargs)
else:
weave.inline(self._dK_dX_code,arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
def dKdiag_dX(self,partial,X,target):
param = self._param
Z = X
weave.inline(self._dKdiag_dX_code,arg_names=['target','X','Z','param','partial'],**self.weave_kwargs)
weave.inline(self._dKdiag_dX_code,arg_names=['target','X','param','partial'],**self.weave_kwargs)
def _set_params(self,param):
#print param.flags['C_CONTIGUOUS']

View file

@ -16,20 +16,20 @@ class EP(likelihood):
"""
self.noise_model = noise_model
self.data = data
self.N, self.output_dim = self.data.shape
self.num_data, self.output_dim = self.data.shape
self.is_heteroscedastic = True
self.Nparams = 0
self._transf_data = self.noise_model._preprocess_values(data)
#Initial values - Likelihood approximation parameters:
#p(y|f) = t(f|tau_tilde,v_tilde)
self.tau_tilde = np.zeros(self.N)
self.v_tilde = np.zeros(self.N)
self.tau_tilde = np.zeros(self.num_data)
self.v_tilde = np.zeros(self.num_data)
#initial values for the GP variables
self.Y = np.zeros((self.N,1))
self.covariance_matrix = np.eye(self.N)
self.precision = np.ones(self.N)[:,None]
self.Y = np.zeros((self.num_data,1))
self.covariance_matrix = np.eye(self.num_data)
self.precision = np.ones(self.num_data)[:,None]
self.Z = 0
self.YYT = None
self.V = self.precision * self.Y
@ -39,11 +39,11 @@ class EP(likelihood):
super(EP, self).__init__()
def restart(self):
self.tau_tilde = np.zeros(self.N)
self.v_tilde = np.zeros(self.N)
self.Y = np.zeros((self.N,1))
self.covariance_matrix = np.eye(self.N)
self.precision = np.ones(self.N)[:,None]
self.tau_tilde = np.zeros(self.num_data)
self.v_tilde = np.zeros(self.num_data)
self.Y = np.zeros((self.num_data,1))
self.covariance_matrix = np.eye(self.num_data)
self.precision = np.ones(self.num_data)[:,None]
self.Z = 0
self.YYT = None
self.V = self.precision * self.Y
@ -77,6 +77,7 @@ class EP(likelihood):
sigma_sum = 1./self.tau_ + 1./self.tau_tilde
mu_diff_2 = (self.v_/self.tau_ - mu_tilde)**2
self.Z = np.sum(np.log(self.Z_hat)) + 0.5*np.sum(np.log(sigma_sum)) + 0.5*np.sum(mu_diff_2/sigma_sum) #Normalization constant, aka Z_ep
self.Z += 0.5*self.num_data*np.log(2*np.pi)
self.Y = mu_tilde[:,None]
self.YYT = np.dot(self.Y,self.Y.T)
@ -95,12 +96,13 @@ class EP(likelihood):
:type epsilon: float
:param power_ep: Power EP parameters
:type power_ep: list of floats
"""
self.epsilon = epsilon
self.eta, self.delta = power_ep
#Initial values - Posterior distribution parameters: q(f|X,Y) = N(f|mu,Sigma)
mu = np.zeros(self.N)
mu = np.zeros(self.num_data)
Sigma = K.copy()
"""
@ -109,15 +111,15 @@ class EP(likelihood):
sigma_ = 1./tau_
mu_ = v_/tau_
"""
self.tau_ = np.empty(self.N,dtype=float)
self.v_ = np.empty(self.N,dtype=float)
self.tau_ = np.empty(self.num_data,dtype=float)
self.v_ = np.empty(self.num_data,dtype=float)
#Initial values - Marginal moments
z = np.empty(self.N,dtype=float)
self.Z_hat = np.empty(self.N,dtype=float)
phi = np.empty(self.N,dtype=float)
mu_hat = np.empty(self.N,dtype=float)
sigma2_hat = np.empty(self.N,dtype=float)
z = np.empty(self.num_data,dtype=float)
self.Z_hat = np.empty(self.num_data,dtype=float)
phi = np.empty(self.num_data,dtype=float)
mu_hat = np.empty(self.num_data,dtype=float)
sigma2_hat = np.empty(self.num_data,dtype=float)
#Approximation
epsilon_np1 = self.epsilon + 1.
@ -126,7 +128,7 @@ class EP(likelihood):
self.np1 = [self.tau_tilde.copy()]
self.np2 = [self.v_tilde.copy()]
while epsilon_np1 > self.epsilon or epsilon_np2 > self.epsilon:
update_order = np.random.permutation(self.N)
update_order = np.random.permutation(self.num_data)
for i in update_order:
#Cavity distribution parameters
self.tau_[i] = 1./Sigma[i,i] - self.eta*self.tau_tilde[i]
@ -144,13 +146,13 @@ class EP(likelihood):
self.iterations += 1
#Sigma recomptutation with Cholesky decompositon
Sroot_tilde_K = np.sqrt(self.tau_tilde)[:,None]*K
B = np.eye(self.N) + np.sqrt(self.tau_tilde)[None,:]*Sroot_tilde_K
B = np.eye(self.num_data) + np.sqrt(self.tau_tilde)[None,:]*Sroot_tilde_K
L = jitchol(B)
V,info = dtrtrs(L,Sroot_tilde_K,lower=1)
Sigma = K - np.dot(V.T,V)
mu = np.dot(Sigma,self.v_tilde)
epsilon_np1 = sum((self.tau_tilde-self.np1[-1])**2)/self.N
epsilon_np2 = sum((self.v_tilde-self.np2[-1])**2)/self.N
epsilon_np1 = sum((self.tau_tilde-self.np1[-1])**2)/self.num_data
epsilon_np2 = sum((self.v_tilde-self.np2[-1])**2)/self.num_data
self.np1.append(self.tau_tilde.copy())
self.np2.append(self.v_tilde.copy())
@ -165,6 +167,7 @@ class EP(likelihood):
:type epsilon: float
:param power_ep: Power EP parameters
:type power_ep: list of floats
"""
self.epsilon = epsilon
self.eta, self.delta = power_ep
@ -197,7 +200,7 @@ class EP(likelihood):
Sigma = Diag + P*R.T*R*P.T + K
mu = w + P*Gamma
"""
mu = np.zeros(self.N)
mu = np.zeros(self.num_data)
LLT = Kmm.copy()
Sigma_diag = Qnn_diag.copy()
@ -207,15 +210,15 @@ class EP(likelihood):
sigma_ = 1./tau_
mu_ = v_/tau_
"""
self.tau_ = np.empty(self.N,dtype=float)
self.v_ = np.empty(self.N,dtype=float)
self.tau_ = np.empty(self.num_data,dtype=float)
self.v_ = np.empty(self.num_data,dtype=float)
#Initial values - Marginal moments
z = np.empty(self.N,dtype=float)
self.Z_hat = np.empty(self.N,dtype=float)
phi = np.empty(self.N,dtype=float)
mu_hat = np.empty(self.N,dtype=float)
sigma2_hat = np.empty(self.N,dtype=float)
z = np.empty(self.num_data,dtype=float)
self.Z_hat = np.empty(self.num_data,dtype=float)
phi = np.empty(self.num_data,dtype=float)
mu_hat = np.empty(self.num_data,dtype=float)
sigma2_hat = np.empty(self.num_data,dtype=float)
#Approximation
epsilon_np1 = 1
@ -224,7 +227,7 @@ class EP(likelihood):
np1 = [self.tau_tilde.copy()]
np2 = [self.v_tilde.copy()]
while epsilon_np1 > self.epsilon or epsilon_np2 > self.epsilon:
update_order = np.random.permutation(self.N)
update_order = np.random.permutation(self.num_data)
for i in update_order:
#Cavity distribution parameters
self.tau_[i] = 1./Sigma_diag[i] - self.eta*self.tau_tilde[i]
@ -253,8 +256,8 @@ class EP(likelihood):
Sigma_diag = np.sum(V*V,-2)
Knmv_tilde = np.dot(Kmn,self.v_tilde)
mu = np.dot(V2.T,Knmv_tilde)
epsilon_np1 = sum((self.tau_tilde-np1[-1])**2)/self.N
epsilon_np2 = sum((self.v_tilde-np2[-1])**2)/self.N
epsilon_np1 = sum((self.tau_tilde-np1[-1])**2)/self.num_data
epsilon_np2 = sum((self.v_tilde-np2[-1])**2)/self.num_data
np1.append(self.tau_tilde.copy())
np2.append(self.v_tilde.copy())
@ -295,9 +298,9 @@ class EP(likelihood):
Sigma = Diag + P*R.T*R*P.T + K
mu = w + P*Gamma
"""
self.w = np.zeros(self.N)
self.w = np.zeros(self.num_data)
self.Gamma = np.zeros(num_inducing)
mu = np.zeros(self.N)
mu = np.zeros(self.num_data)
P = P0.copy()
R = R0.copy()
Diag = Diag0.copy()
@ -310,15 +313,15 @@ class EP(likelihood):
sigma_ = 1./tau_
mu_ = v_/tau_
"""
self.tau_ = np.empty(self.N,dtype=float)
self.v_ = np.empty(self.N,dtype=float)
self.tau_ = np.empty(self.num_data,dtype=float)
self.v_ = np.empty(self.num_data,dtype=float)
#Initial values - Marginal moments
z = np.empty(self.N,dtype=float)
self.Z_hat = np.empty(self.N,dtype=float)
phi = np.empty(self.N,dtype=float)
mu_hat = np.empty(self.N,dtype=float)
sigma2_hat = np.empty(self.N,dtype=float)
z = np.empty(self.num_data,dtype=float)
self.Z_hat = np.empty(self.num_data,dtype=float)
phi = np.empty(self.num_data,dtype=float)
mu_hat = np.empty(self.num_data,dtype=float)
sigma2_hat = np.empty(self.num_data,dtype=float)
#Approximation
epsilon_np1 = 1
@ -327,7 +330,7 @@ class EP(likelihood):
self.np1 = [self.tau_tilde.copy()]
self.np2 = [self.v_tilde.copy()]
while epsilon_np1 > self.epsilon or epsilon_np2 > self.epsilon:
update_order = np.random.permutation(self.N)
update_order = np.random.permutation(self.num_data)
for i in update_order:
#Cavity distribution parameters
self.tau_[i] = 1./Sigma_diag[i] - self.eta*self.tau_tilde[i]
@ -366,8 +369,8 @@ class EP(likelihood):
self.w = Diag * self.v_tilde
self.Gamma = np.dot(R.T, np.dot(RPT,self.v_tilde))
mu = self.w + np.dot(P,self.Gamma)
epsilon_np1 = sum((self.tau_tilde-self.np1[-1])**2)/self.N
epsilon_np2 = sum((self.v_tilde-self.np2[-1])**2)/self.N
epsilon_np1 = sum((self.tau_tilde-self.np1[-1])**2)/self.num_data
epsilon_np2 = sum((self.v_tilde-self.np2[-1])**2)/self.num_data
self.np1.append(self.tau_tilde.copy())
self.np2.append(self.v_tilde.copy())

View file

@ -10,14 +10,16 @@ class likelihood(Parameterized):
(Gaussian) inherits directly from this, as does the EP algorithm
Some things must be defined for this to work properly:
self.Y : the effective Gaussian target of the GP
self.N, self.D : Y.shape
self.covariance_matrix : the effective (noise) covariance of the GP targets
self.Z : a factor which gets added to the likelihood (0 for a Gaussian, Z_EP for EP)
self.is_heteroscedastic : enables significant computational savings in GP
self.precision : a scalar or vector representation of the effective target precision
self.YYT : (optional) = np.dot(self.Y, self.Y.T) enables computational savings for D>N
self.V : self.precision * self.Y
- self.Y : the effective Gaussian target of the GP
- self.N, self.D : Y.shape
- self.covariance_matrix : the effective (noise) covariance of the GP targets
- self.Z : a factor which gets added to the likelihood (0 for a Gaussian, Z_EP for EP)
- self.is_heteroscedastic : enables significant computational savings in GP
- self.precision : a scalar or vector representation of the effective target precision
- self.YYT : (optional) = np.dot(self.Y, self.Y.T) enables computational savings for D>N
- self.V : self.precision * self.Y
"""
def __init__(self):
Parameterized.__init__(self)

View file

@ -245,12 +245,13 @@ class BayesianGPLVM(SparseGP, GPLVM):
"""
Plot latent space X in 1D:
-if fig is given, create input_dim subplots in fig and plot in these
-if ax is given plot input_dim 1D latent space plots of X into each `axis`
-if neither fig nor ax is given create a figure with fignum and plot in there
- if fig is given, create input_dim subplots in fig and plot in these
- if ax is given plot input_dim 1D latent space plots of X into each `axis`
- if neither fig nor ax is given create a figure with fignum and plot in there
colors:
colors of different latent space dimensions input_dim
"""
import pylab
if ax is None:

View file

@ -25,14 +25,14 @@ class GPMultioutputRegression(GP):
:type normalize_X: False|True
:param normalize_Y: whether to normalize the input data before computing (predictions will be in original scales)
:type normalize_Y: False|True
:param W_columns: number tuples of the corregionalization parameters 'coregion_W' (see coregionalize kernel documentation)
:type W_columns: integer
:param rank: number tuples of the corregionalization parameters 'coregion_W' (see coregionalize kernel documentation)
:type rank: integer
"""
def __init__(self,X_list,Y_list,kernel_list=None,noise_variance_list=None,normalize_X=False,normalize_Y=False,W_columns=1):
def __init__(self,X_list,Y_list,kernel_list=None,noise_variance_list=None,normalize_X=False,normalize_Y=False,rank=1):
self.num_outputs = len(Y_list)
assert len(X_list) == self.num_outputs, 'Number of outputs do not match length of inputs list.'
self.output_dim = len(Y_list)
assert len(X_list) == self.output_dim, 'Number of outputs do not match length of inputs list.'
#Inputs indexing
i = 0
@ -51,7 +51,7 @@ class GPMultioutputRegression(GP):
#Coregionalization kernel definition
if kernel_list is None:
kernel_list = [kern.rbf(original_dim)]
mkernel = kern.build_lcm(input_dim=original_dim, num_outputs=self.num_outputs, kernel_list = kernel_list, W_columns=W_columns)
mkernel = kern.build_lcm(input_dim=original_dim, output_dim=self.output_dim, kernel_list = kernel_list, rank=rank)
self.multioutput = True
GP.__init__(self, X, likelihood, mkernel, normalize_X=normalize_X)

View file

@ -30,23 +30,23 @@ class SparseGPMultioutputRegression(SparseGP):
:type Z_list: list of numpy arrays (num_inducing_output_i x input_dim), one array per output | empty list
:param num_inducing: number of inducing inputs per output, defaults to 10 (ignored if Z_list is not empty)
:type num_inducing: integer
:param W_columns: number tuples of the corregionalization parameters 'coregion_W' (see coregionalize kernel documentation)
:type W_columns: integer
:param rank: number tuples of the corregionalization parameters 'coregion_W' (see coregionalize kernel documentation)
:type rank: integer
"""
#NOTE not tested with uncertain inputs
def __init__(self,X_list,Y_list,kernel_list=None,noise_variance_list=None,normalize_X=False,normalize_Y=False,Z_list=[],num_inducing=10,W_columns=1):
def __init__(self,X_list,Y_list,kernel_list=None,noise_variance_list=None,normalize_X=False,normalize_Y=False,Z_list=[],num_inducing=10,rank=1):
self.num_outputs = len(Y_list)
assert len(X_list) == self.num_outputs, 'Number of outputs do not match length of inputs list.'
self.output_dim = len(Y_list)
assert len(X_list) == self.output_dim, 'Number of outputs do not match length of inputs list.'
#Inducing inputs list
if len(Z_list):
assert len(Z_list) == self.num_outputs, 'Number of outputs do not match length of inducing inputs list.'
assert len(Z_list) == self.output_dim, 'Number of outputs do not match length of inducing inputs list.'
else:
if isinstance(num_inducing,np.int):
num_inducing = [num_inducing] * self.num_outputs
num_inducing = [num_inducing] * self.output_dim
num_inducing = np.asarray(num_inducing)
assert num_inducing.size == self.num_outputs, 'Number of outputs do not match length of inducing inputs list.'
assert num_inducing.size == self.output_dim, 'Number of outputs do not match length of inducing inputs list.'
for ni,X in zip(num_inducing,X_list):
i = np.random.permutation(X.shape[0])[:ni]
Z_list.append(X[i].copy())
@ -72,7 +72,7 @@ class SparseGPMultioutputRegression(SparseGP):
#Coregionalization kernel definition
if kernel_list is None:
kernel_list = [kern.rbf(original_dim)]
mkernel = kern.build_lcm(input_dim=original_dim, num_outputs=self.num_outputs, kernel_list = kernel_list, W_columns=W_columns)
mkernel = kern.build_lcm(input_dim=original_dim, output_dim=self.output_dim, kernel_list = kernel_list, rank=rank)
self.multioutput = True
SparseGP.__init__(self, X, likelihood, mkernel, Z=Z, normalize_X=normalize_X)

View file

@ -0,0 +1,50 @@
# Copyright (c) 2013, GPy authors (see AUTHORS.txt)
# Licensed under the BSD 3-clause license (see LICENSE.txt)
import unittest
import numpy as np
import GPy
class BCGPLVMTests(unittest.TestCase):
def test_kernel_backconstraint(self):
num_data, num_inducing, input_dim, output_dim = 10, 3, 2, 4
X = np.random.rand(num_data, input_dim)
k = GPy.kern.rbf(input_dim) + GPy.kern.white(input_dim, 0.00001)
K = k.K(X)
Y = np.random.multivariate_normal(np.zeros(num_data),K,output_dim).T
k = GPy.kern.mlp(input_dim) + GPy.kern.bias(input_dim)
bk = GPy.kern.rbf(output_dim)
mapping = GPy.mappings.Kernel(output_dim=input_dim, X=Y, kernel=bk)
m = GPy.models.BCGPLVM(Y, input_dim, kernel = k, mapping=mapping)
m.randomize()
self.assertTrue(m.checkgrad())
def test_linear_backconstraint(self):
num_data, num_inducing, input_dim, output_dim = 10, 3, 2, 4
X = np.random.rand(num_data, input_dim)
k = GPy.kern.rbf(input_dim) + GPy.kern.white(input_dim, 0.00001)
K = k.K(X)
Y = np.random.multivariate_normal(np.zeros(num_data),K,output_dim).T
k = GPy.kern.mlp(input_dim) + GPy.kern.bias(input_dim)
bk = GPy.kern.rbf(output_dim)
mapping = GPy.mappings.Linear(output_dim=input_dim, input_dim=output_dim)
m = GPy.models.BCGPLVM(Y, input_dim, kernel = k, mapping=mapping)
m.randomize()
self.assertTrue(m.checkgrad())
def test_mlp_backconstraint(self):
num_data, num_inducing, input_dim, output_dim = 10, 3, 2, 4
X = np.random.rand(num_data, input_dim)
k = GPy.kern.rbf(input_dim) + GPy.kern.white(input_dim, 0.00001)
K = k.K(X)
Y = np.random.multivariate_normal(np.zeros(num_data),K,output_dim).T
k = GPy.kern.mlp(input_dim) + GPy.kern.bias(input_dim)
bk = GPy.kern.rbf(output_dim)
mapping = GPy.mappings.MLP(output_dim=input_dim, input_dim=output_dim, hidden_dim=[5, 4, 7])
m = GPy.models.BCGPLVM(Y, input_dim, kernel = k, mapping=mapping)
m.randomize()
self.assertTrue(m.checkgrad())
if __name__ == "__main__":
print "Running unit tests, please be (very) patient..."
unittest.main()

View file

@ -55,7 +55,18 @@ class BGPLVMTests(unittest.TestCase):
m.randomize()
self.assertTrue(m.checkgrad())
#@unittest.skip('psi2 cross terms are NotImplemented for this combination')
def test_rbf_line_kern(self):
N, num_inducing, input_dim, D = 10, 3, 2, 4
X = np.random.rand(N, input_dim)
k = GPy.kern.rbf(input_dim) + GPy.kern.linear(input_dim) + GPy.kern.white(input_dim, 0.00001)
K = k.K(X)
Y = np.random.multivariate_normal(np.zeros(N),K,input_dim).T
Y -= Y.mean(axis=0)
k = GPy.kern.rbf(input_dim) + GPy.kern.bias(input_dim) + GPy.kern.white(input_dim, 0.00001)
m = BayesianGPLVM(Y, input_dim, kernel=k, num_inducing=num_inducing)
m.randomize()
self.assertTrue(m.checkgrad())
def test_linear_bias_kern(self):
N, num_inducing, input_dim, D = 30, 5, 4, 30
X = np.random.rand(N, input_dim)

View file

@ -21,6 +21,10 @@ class KernelTests(unittest.TestCase):
kern = GPy.kern.rbf(5)
self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
def test_rbf_sympykernel(self):
kern = GPy.kern.rbf_sympy(5)
self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
def test_rbf_invkernel(self):
kern = GPy.kern.rbf_inv(5)
self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
@ -79,19 +83,19 @@ class KernelTests(unittest.TestCase):
kern = GPy.kern.poly(5, degree=4)
self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
def test_coregionalization(self):
X1 = np.random.rand(50,1)*8
X2 = np.random.rand(30,1)*5
index = np.vstack((np.zeros_like(X1),np.ones_like(X2)))
X = np.hstack((np.vstack((X1,X2)),index))
Y1 = np.sin(X1) + np.random.randn(*X1.shape)*0.05
Y2 = np.sin(X2) + np.random.randn(*X2.shape)*0.05 + 2.
Y = np.vstack((Y1,Y2))
# def test_coregionalization(self):
# X1 = np.random.rand(50,1)*8
# X2 = np.random.rand(30,1)*5
# index = np.vstack((np.zeros_like(X1),np.ones_like(X2)))
# X = np.hstack((np.vstack((X1,X2)),index))
# Y1 = np.sin(X1) + np.random.randn(*X1.shape)*0.05
# Y2 = np.sin(X2) + np.random.randn(*X2.shape)*0.05 + 2.
# Y = np.vstack((Y1,Y2))
k1 = GPy.kern.rbf(1) + GPy.kern.bias(1)
k2 = GPy.kern.coregionalize(2,1)
kern = k1**k2
self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
# k1 = GPy.kern.rbf(1) + GPy.kern.bias(1)
# k2 = GPy.kern.coregionalize(2,1)
# kern = k1**k2
# self.assertTrue(GPy.kern.kern_test(kern, verbose=verbose))
if __name__ == "__main__":

View file

@ -7,9 +7,21 @@ import urllib as url
import zipfile
import tarfile
import datetime
ipython_notebook = False
if ipython_notebook:
import IPython.core.display
def ipynb_input(varname, prompt=''):
"""Prompt user for input and assign string val to given variable name."""
js_code = ("""
var value = prompt("{prompt}","");
var py_code = "{varname} = '" + value + "'";
IPython.notebook.kernel.execute(py_code);
""").format(prompt=prompt, varname=varname)
return IPython.core.display.Javascript(js_code)
import sys, urllib
def reporthook(a,b,c):
# ',' at the end of the line is important!
#print "% 3.1f%% of %d bytes\r" % (min(100, float(a * b) / c * 100), c),
@ -130,14 +142,18 @@ The database was created with funding from NSF EIA-0196217.""",
'license' : None,
'size' : 24229368},
}
def prompt_user():
"""Ask user for agreeing to data set licenses."""
# raw_input returns the empty string for "enter"
yes = set(['yes', 'y'])
no = set(['no','n'])
choice = raw_input().lower()
choice = ''
if ipython_notebook:
ipynb_input(choice, prompt='provide your answer here')
else:
choice = raw_input().lower()
if choice in yes:
return True
elif choice in no:
@ -146,6 +162,7 @@ def prompt_user():
sys.stdout.write("Please respond with 'yes', 'y' or 'no', 'n'")
return prompt_user()
def data_available(dataset_name=None):
"""Check if the data set is available on the local machine already."""
for file_list in data_resources[dataset_name]['files']:
@ -524,11 +541,14 @@ def simulation_BGPLVM():
'info': "Simulated test dataset generated in MATLAB to compare BGPLVM between python and MATLAB"}
def toy_rbf_1d(seed=default_seed, num_samples=500):
"""Samples values of a function from an RBF covariance with very small noise for inputs uniformly distributed between -1 and 1.
"""
Samples values of a function from an RBF covariance with very small noise for inputs uniformly distributed between -1 and 1.
:param seed: seed to use for random sampling.
:type seed: int
:param num_samples: number of samples to sample in the function (default 500).
:type num_samples: int
"""
np.random.seed(seed=seed)
num_in = 1
@ -631,11 +651,15 @@ def olympic_marathon_men(data_set='olympic_marathon_men'):
def crescent_data(num_data=200, seed=default_seed):
"""Data set formed from a mixture of four Gaussians. In each class two of the Gaussians are elongated at right angles to each other and offset to form an approximation to the crescent data that is popular in semi-supervised learning as a toy problem.
"""
Data set formed from a mixture of four Gaussians. In each class two of the Gaussians are elongated at right angles to each other and offset to form an approximation to the crescent data that is popular in semi-supervised learning as a toy problem.
:param num_data_part: number of data to be sampled (default is 200).
:type num_data: int
:param seed: random seed to be used for data generation.
:type seed: int"""
:type seed: int
"""
np.random.seed(seed=seed)
sqrt2 = np.sqrt(2)
# Rotation matrix

63
GPy/util/erfcx.py Normal file
View file

@ -0,0 +1,63 @@
## Copyright (C) 2010 Soren Hauberg
##
## Copyright James Hensman 2011
##
## This program is free software; you can redistribute it and/or modify it
## under the terms of the GNU General Public License as published by
## the Free Software Foundation; either version 3 of the License, or (at
## your option) any later version.
##
## This program is distributed in the hope that it will be useful, but
## WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
## General Public License for more details.
##
## You should have received a copy of the GNU General Public License
## along with this program; see the file COPYING. If not, see
## <http://www.gnu.org/licenses/>.
import numpy as np
def erfcx (arg):
arg = np.atleast_1d(arg)
assert(np.all(np.isreal(arg)),"erfcx: input must be real")
## Get precision dependent thresholds -- or not :p
xneg = -26.628;
xmax = 2.53e+307;
## Allocate output
result = np.zeros (arg.shape)
## Find values where erfcx can be evaluated
idx_neg = (arg < xneg);
idx_max = (arg > xmax);
idx = ~(idx_neg | idx_max);
arg = arg [idx];
## Perform the actual computation
t = 3.97886080735226 / (np.abs (arg) + 3.97886080735226);
u = t - 0.5;
y = (((((((((u * 0.00127109764952614092 + 1.19314022838340944e-4) * u \
- 0.003963850973605135) * u - 8.70779635317295828e-4) * u + \
0.00773672528313526668) * u + 0.00383335126264887303) * u - \
0.0127223813782122755) * u - 0.0133823644533460069) * u + \
0.0161315329733252248) * u + 0.0390976845588484035) * u + \
0.00249367200053503304;
y = ((((((((((((y * u - 0.0838864557023001992) * u - \
0.119463959964325415) * u + 0.0166207924969367356) * u + \
0.357524274449531043) * u + 0.805276408752910567) * u + \
1.18902982909273333) * u + 1.37040217682338167) * u + \
1.31314653831023098) * u + 1.07925515155856677) * u + \
0.774368199119538609) * u + 0.490165080585318424) * u + \
0.275374741597376782) * t;
y [arg < 0] = 2 * np.exp (arg [arg < 0]**2) - y [arg < 0];
## Put the results back into something with the same size is the original input
result [idx] = y;
result [idx_neg] = np.inf;
## result (idx_max) = 0; # not needed as we initialise with zeros
return(result)

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@ -123,7 +123,7 @@ def jitchol(A, maxtries=5):
def jitchol_old(A, maxtries=5):
"""
:param A : An almost pd square matrix
:param A: An almost pd square matrix
:rval L: the Cholesky decomposition of A

110
GPy/util/ln_diff_erfs.py Normal file
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@ -0,0 +1,110 @@
# Copyright (c) 2013, GPy authors (see AUTHORS.txt).
# Licensed under the BSD 3-clause license (see LICENSE.txt)
#Only works for scipy 0.12+
try:
from scipy.special import erfcx, erf
except ImportError:
from scipy.special import erf
from erfcx import erfcx
import numpy as np
def ln_diff_erfs(x1, x2, return_sign=False):
"""Function for stably computing the log of difference of two erfs in a numerically stable manner.
:param x1 : argument of the positive erf
:type x1: ndarray
:param x2 : argument of the negative erf
:type x2: ndarray
:return: tuple containing (log(abs(erf(x1) - erf(x2))), sign(erf(x1) - erf(x2)))
Based on MATLAB code that was written by Antti Honkela and modified by David Luengo and originally derived from code by Neil Lawrence.
"""
x1 = np.require(x1).real
x2 = np.require(x2).real
if x1.size==1:
x1 = np.reshape(x1, (1, 1))
if x2.size==1:
x2 = np.reshape(x2, (1, 1))
if x1.shape==x2.shape:
v = np.zeros_like(x1)
else:
if x1.size==1:
v = np.zeros(x2.shape)
elif x2.size==1:
v = np.zeros(x1.shape)
else:
raise ValueError, "This function does not broadcast unless provided with a scalar."
if x1.size == 1:
x1 = np.tile(x1, x2.shape)
if x2.size == 1:
x2 = np.tile(x2, x1.shape)
sign = np.sign(x1 - x2)
if x1.size == 1:
if sign== -1:
swap = x1
x1 = x2
x2 = swap
else:
I = sign == -1
swap = x1[I]
x1[I] = x2[I]
x2[I] = swap
with np.errstate(divide='ignore'):
# switch off log of zero warnings.
# Case 0: arguments of different sign, no problems with loss of accuracy
I0 = np.logical_or(np.logical_and(x1>0, x2<0), np.logical_and(x2>0, x1<0)) # I1=(x1*x2)<0
# Case 1: x1 = x2 so we have log of zero.
I1 = (x1 == x2)
# Case 2: Both arguments are non-negative
I2 = np.logical_and(x1 > 0, np.logical_and(np.logical_not(I0),
np.logical_not(I1)))
# Case 3: Both arguments are non-positive
I3 = np.logical_and(np.logical_and(np.logical_not(I0),
np.logical_not(I1)),
np.logical_not(I2))
_x2 = x2.flatten()
_x1 = x1.flatten()
for group, flags in zip((0, 1, 2, 3), (I0, I1, I2, I3)):
if np.any(flags):
if not x1.size==1:
_x1 = x1[flags]
if not x2.size==1:
_x2 = x2[flags]
if group==0:
v[flags] = np.log( erf(_x1) - erf(_x2) )
elif group==1:
v[flags] = -np.inf
elif group==2:
v[flags] = np.log(erfcx(_x2)
-erfcx(_x1)*np.exp(_x2**2
-_x1**2)) - _x2**2
elif group==3:
v[flags] = np.log(erfcx(-_x1)
-erfcx(-_x2)*np.exp(_x1**2
-_x2**2))-_x1**2
# TODO: switch back on log of zero warnings.
if return_sign:
return v, sign
else:
if v.size==1:
if sign==-1:
v = v.view('complex64')
v += np.pi*1j
else:
# Need to add in a complex part because argument is negative.
v = v.view('complex64')
v[I] += np.pi*1j
return v

View file

@ -17,12 +17,9 @@ def linear_grid(D, n = 100, min_max = (-100, 100)):
"""
Creates a D-dimensional grid of n linearly spaced points
Parameters:
D: dimension of the grid
n: number of points
min_max: (min, max) list
:param D: dimension of the grid
:param n: number of points
:param min_max: (min, max) list
"""
@ -39,6 +36,7 @@ def kmm_init(X, m = 10):
:param X: data
:param m: number of inducing points
"""
# compute the distances

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@ -120,13 +120,14 @@ class tree:
def rotation_matrix(xangle, yangle, zangle, order='zxy', degrees=False):
"""
Compute the rotation matrix for an angle in each direction.
This is a helper function for computing the rotation matrix for a given set of angles in a given order.
:param xangle: rotation for x-axis.
:param yangle: rotation for y-axis.
:param zangle: rotation for z-axis.
:param order: the order for the rotations.
:param xangle: rotation for x-axis.
:param yangle: rotation for y-axis.
:param zangle: rotation for z-axis.
:param order: the order for the rotations.
"""
if degrees:
@ -309,10 +310,8 @@ class acclaim_skeleton(skeleton):
"""
Loads an ASF file into a skeleton structure.
loads skeleton structure from an acclaim skeleton file.
:param file_name: the file name to load in.
:rval skel: the skeleton for the file. - TODO isn't returning this?
:param file_name: The file name to load in.
"""

32
GPy/util/symbolic.py Normal file
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@ -0,0 +1,32 @@
from sympy import Function, S, oo, I, cos, sin
class sinc_grad(Function):
nargs = 1
def fdiff(self, argindex=1):
return ((2-x*x)*sin(self.args[0]) - 2*x*cos(x))/(x*x*x)
@classmethod
def eval(cls, x):
if x is S.Zero:
return S.Zero
else:
return (x*cos(x) - sin(x))/(x*x)
class sinc(Function):
nargs = 1
def fdiff(self, argindex=1):
return sinc_grad(self.args[0])
@classmethod
def eval(cls, x):
if x is S.Zero:
return S.One
else:
return sin(x)/x
def _eval_is_real(self):
return self.args[0].is_real

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@ -502,11 +502,14 @@ def data_play(Y, visualizer, frame_rate=30):
This example loads in the CMU mocap database (http://mocap.cs.cmu.edu) subject number 35 motion number 01. It then plays it using the mocap_show visualize object.
data = GPy.util.datasets.cmu_mocap(subject='35', train_motions=['01'])
Y = data['Y']
Y[:, 0:3] = 0. # Make figure walk in place
visualize = GPy.util.visualize.skeleton_show(Y[0, :], data['skel'])
GPy.util.visualize.data_play(Y, visualize)
.. code-block:: python
data = GPy.util.datasets.cmu_mocap(subject='35', train_motions=['01'])
Y = data['Y']
Y[:, 0:3] = 0. # Make figure walk in place
visualize = GPy.util.visualize.skeleton_show(Y[0, :], data['skel'])
GPy.util.visualize.data_play(Y, visualize)
"""

View file

@ -53,9 +53,11 @@ class TanhWarpingFunction(WarpingFunction):
self.num_parameters = 3 * self.n_terms
def f(self,y,psi):
"""transform y with f using parameter vector psi
"""
transform y with f using parameter vector psi
psi = [[a,b,c]]
f = \sum_{terms} a * tanh(b*(y+c))
::math::`f = \\sum_{terms} a * tanh(b*(y+c))`
"""
#1. check that number of params is consistent
@ -77,8 +79,7 @@ class TanhWarpingFunction(WarpingFunction):
"""
calculate the numerical inverse of f
== input ==
iterations: number of N.R. iterations
:param iterations: number of N.R. iterations
"""
@ -165,9 +166,11 @@ class TanhWarpingFunction_d(WarpingFunction):
self.num_parameters = 3 * self.n_terms + 1
def f(self,y,psi):
"""transform y with f using parameter vector psi
"""
Transform y with f using parameter vector psi
psi = [[a,b,c]]
f = \sum_{terms} a * tanh(b*(y+c))
:math:`f = \\sum_{terms} a * tanh(b*(y+c))`
"""
#1. check that number of params is consistent
@ -189,8 +192,7 @@ class TanhWarpingFunction_d(WarpingFunction):
"""
calculate the numerical inverse of f
== input ==
iterations: number of N.R. iterations
:param max_iterations: maximum number of N.R. iterations
"""
@ -214,12 +216,13 @@ class TanhWarpingFunction_d(WarpingFunction):
def fgrad_y(self, y, psi, return_precalc = False):
"""
gradient of f w.r.t to y ([N x 1])
returns: Nx1 vector of derivatives, unless return_precalc is true,
then it also returns the precomputed stuff
:returns: Nx1 vector of derivatives, unless return_precalc is true, then it also returns the precomputed stuff
"""
mpsi = psi.copy()
mpsi = psi.coSpy()
d = psi[-1]
mpsi = mpsi[:self.num_parameters-1].reshape(self.n_terms, 3)
@ -242,7 +245,7 @@ class TanhWarpingFunction_d(WarpingFunction):
"""
gradient of f w.r.t to y and psi
returns: NxIx4 tensor of partial derivatives
:returns: NxIx4 tensor of partial derivatives
"""

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@ -20,7 +20,7 @@ All of the examples included in GPy return an instance
of a model class, and therefore they can be called in
the following way: ::
import numpy as np
import numpy as np
import pylab as pb
pb.ion()
import GPy