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added ARD flag to exponential
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3 changed files with 39 additions and 39 deletions
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@ -2,5 +2,5 @@
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# Licensed under the BSD 3-clause license (see LICENSE.txt)
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# Licensed under the BSD 3-clause license (see LICENSE.txt)
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from constructors import rbf, Matern32, Matern52, exponential, linear, white, bias, finite_dimensional, rbf_ARD, spline, Brownian, linear_ARD, rbf_sympy, sympykern
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from constructors import rbf, Matern32, Matern52, exponential, linear, white, bias, finite_dimensional, spline, Brownian, linear_ARD, rbf_sympy, sympykern
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from kern import kern
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from kern import kern
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@ -36,20 +36,6 @@ def rbf(D,variance=1., lengthscale=None,ARD=False):
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part = rbfpart(D,variance,lengthscale,ARD)
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part = rbfpart(D,variance,lengthscale,ARD)
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return kern(D, [part])
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return kern(D, [part])
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def rbf_ARD(D,variance=1., lengthscales=None):
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"""
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Construct an RBF kernel with Automatic Relevance Determination (ARD)
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:param D: dimensionality of the kernel, obligatory
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:type D: int
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:param variance: the variance of the kernel
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:type variance: float
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:param lengthscales: the lengthscales of the kernel
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:type lengthscales: None|np.ndarray
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"""
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part = rbf_ARD_part(D,variance,lengthscales)
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return kern(D, [part])
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def linear(D,lengthscales=None):
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def linear(D,lengthscales=None):
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"""
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"""
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Construct a linear kernel.
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Construct a linear kernel.
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@ -86,7 +72,7 @@ def white(D,variance=1.):
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part = whitepart(D,variance)
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part = whitepart(D,variance)
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return kern(D, [part])
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return kern(D, [part])
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def exponential(D,variance=1., lengthscales=None):
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def exponential(D,variance=1., lengthscale=None, ARD=False):
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"""
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"""
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Construct a exponential kernel.
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Construct a exponential kernel.
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@ -96,10 +82,10 @@ def exponential(D,variance=1., lengthscales=None):
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variance (float)
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variance (float)
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lengthscales (np.ndarray)
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lengthscales (np.ndarray)
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"""
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"""
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part = exponentialpart(D,variance, lengthscales)
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part = exponentialpart(D,variance, lengthscale, ARD)
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return kern(D, [part])
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return kern(D, [part])
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def Matern32(D,variance=1., lengthscales=None):
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def Matern32(D,variance=1., lengthscale=None, ARD=False):
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"""
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"""
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Construct a Matern 3/2 kernel.
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Construct a Matern 3/2 kernel.
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@ -109,7 +95,7 @@ def Matern32(D,variance=1., lengthscales=None):
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variance (float)
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variance (float)
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lengthscales (np.ndarray)
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lengthscales (np.ndarray)
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"""
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"""
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part = Matern32part(D,variance, lengthscales)
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part = Matern32part(D,variance, lengthscale, ARD)
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return kern(D, [part])
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return kern(D, [part])
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def Matern52(D,variance=1., lengthscales=None):
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def Matern52(D,variance=1., lengthscales=None):
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@ -24,37 +24,46 @@ class exponential(kernpart):
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:rtype: kernel object
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:rtype: kernel object
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"""
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"""
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def __init__(self,D,variance=1.,lengthscales=None):
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def __init__(self,D,variance=1.,lengthscale=None,ARD=False):
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self.D = D
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self.D = D
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if lengthscales is not None:
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self.ARD = ARD
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assert lengthscales.shape==(self.D,)
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if ARD == False:
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self.Nparam = 2
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self.name = 'exp'
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if lengthscale is not None:
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assert lengthscale.shape == (1,)
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else:
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lengthscale = np.ones(1)
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else:
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else:
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lengthscales = np.ones(self.D)
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self.Nparam = self.D + 1
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self.Nparam = self.D + 1
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self.name = 'exp_ARD'
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self.name = 'exp'
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if lengthscale is not None:
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self._set_params(np.hstack((variance,lengthscales)))
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assert lengthscale.shape == (self.D,)
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else:
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lengthscale = np.ones(self.D)
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self._set_params(np.hstack((variance,lengthscale)))
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def _get_params(self):
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def _get_params(self):
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"""return the value of the parameters."""
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"""return the value of the parameters."""
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return np.hstack((self.variance,self.lengthscales))
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return np.hstack((self.variance,self.lengthscale))
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def _set_params(self,x):
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def _set_params(self,x):
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"""set the value of the parameters."""
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"""set the value of the parameters."""
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assert x.size==(self.D+1)
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assert x.size==(self.D+1)
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self.variance = x[0]
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self.variance = x[0]
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self.lengthscales = x[1:]
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self.lengthscale = x[1:]
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def _get_param_names(self):
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def _get_param_names(self):
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"""return parameter names."""
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"""return parameter names."""
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if self.D==1:
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if self.Nparam==2:
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return ['variance','lengthscale']
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return ['variance','lengthscale']
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else:
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else:
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return ['variance']+['lengthscale_%i'%i for i in range(self.lengthscales.size)]
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return ['variance']+['lengthscale_%i'%i for i in range(self.lengthscale.size)]
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def K(self,X,X2,target):
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def K(self,X,X2,target):
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"""Compute the covariance matrix between X and X2."""
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"""Compute the covariance matrix between X and X2."""
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if X2 is None: X2 = X
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if X2 is None: X2 = X
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscales),-1))
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscale),-1))
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np.add(self.variance*np.exp(-dist), target,target)
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np.add(self.variance*np.exp(-dist), target,target)
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def Kdiag(self,X,target):
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def Kdiag(self,X,target):
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@ -64,13 +73,18 @@ class exponential(kernpart):
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def dK_dtheta(self,partial,X,X2,target):
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def dK_dtheta(self,partial,X,X2,target):
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"""derivative of the covariance matrix with respect to the parameters."""
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"""derivative of the covariance matrix with respect to the parameters."""
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if X2 is None: X2 = X
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if X2 is None: X2 = X
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscales),-1))
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscale),-1))
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invdist = 1./np.where(dist!=0.,dist,np.inf)
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invdist = 1./np.where(dist!=0.,dist,np.inf)
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dist2M = np.square(X[:,None,:]-X2[None,:,:])/self.lengthscales**3
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dist2M = np.square(X[:,None,:]-X2[None,:,:])/self.lengthscale**3
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dvar = np.exp(-dist)
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dvar = np.exp(-dist)
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dl = self.variance*dvar[:,:,None]*dist2M*invdist[:,:,None]
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target[0] += np.sum(dvar*partial)
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target[0] += np.sum(dvar*partial)
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target[1:] += (dl*partial[:,:,None]).sum(0).sum(0)
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if self.ARD == True:
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dl = self.variance*dvar[:,:,None]*dist2M*invdist[:,:,None]
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target[1:] += (dl*partial[:,:,None]).sum(0).sum(0)
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else:
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dl = self.variance*dvar*dist2M.sum(-1)*invdist
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target[1] += np.sum(dl*partial)
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#foo
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def dKdiag_dtheta(self,partial,X,target):
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def dKdiag_dtheta(self,partial,X,target):
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"""derivative of the diagonal of the covariance matrix with respect to the parameters."""
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"""derivative of the diagonal of the covariance matrix with respect to the parameters."""
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@ -80,8 +94,8 @@ class exponential(kernpart):
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def dK_dX(self,partial,X,X2,target):
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def dK_dX(self,partial,X,X2,target):
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"""derivative of the covariance matrix with respect to X."""
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"""derivative of the covariance matrix with respect to X."""
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if X2 is None: X2 = X
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if X2 is None: X2 = X
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscales),-1))[:,:,None]
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dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscale),-1))[:,:,None]
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ddist_dX = (X[:,None,:]-X2[None,:,:])/self.lengthscales**2/np.where(dist!=0.,dist,np.inf)
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ddist_dX = (X[:,None,:]-X2[None,:,:])/self.lengthscale**2/np.where(dist!=0.,dist,np.inf)
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dK_dX = - np.transpose(self.variance*np.exp(-dist)*ddist_dX,(1,0,2))
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dK_dX = - np.transpose(self.variance*np.exp(-dist)*ddist_dX,(1,0,2))
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target += np.sum(dK_dX*partial.T[:,:,None],0)
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target += np.sum(dK_dX*partial.T[:,:,None],0)
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@ -101,14 +115,14 @@ class exponential(kernpart):
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"""
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"""
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assert self.D == 1
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assert self.D == 1
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def L(x,i):
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def L(x,i):
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return(1./self.lengthscales*F[i](x) + F1[i](x))
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return(1./self.lengthscale*F[i](x) + F1[i](x))
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n = F.shape[0]
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n = F.shape[0]
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G = np.zeros((n,n))
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G = np.zeros((n,n))
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for i in range(n):
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for i in range(n):
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for j in range(i,n):
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for j in range(i,n):
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G[i,j] = G[j,i] = integrate.quad(lambda x : L(x,i)*L(x,j),lower,upper)[0]
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G[i,j] = G[j,i] = integrate.quad(lambda x : L(x,i)*L(x,j),lower,upper)[0]
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Flower = np.array([f(lower) for f in F])[:,None]
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Flower = np.array([f(lower) for f in F])[:,None]
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return(self.lengthscales/2./self.variance * G + 1./self.variance * np.dot(Flower,Flower.T))
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return(self.lengthscale/2./self.variance * G + 1./self.variance * np.dot(Flower,Flower.T))
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