# 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 import hashlib from scipy import integrate class exponential(kernpart): """ Exponential kernel (aka Ornstein-Uhlenbeck or Matern 1/2) .. math:: k(r) = \sigma^2 \exp(- r) \ \ \ \ \ \\text{ where } r = \sqrt{\sum_{i=1}^D \\frac{(x_i-y_i)^2}{\ell_i^2} } :param D: the number of input dimensions :type D: int :param variance: the variance :math:`\sigma^2` :type variance: float :param lengthscale: the vector of lengthscale :math:`\ell_i` :type lengthscale: array or list of the appropriate size (or float if there is only one lengthscale parameter) :param ARD: Auto Relevance Determination. If equal to "False", the kernel is isotropic (ie. one single lengthscale parameter \ell), otherwise there is one lengthscale parameter per dimension. :type ARD: Boolean :rtype: kernel object """ def __init__(self,D,variance=1.,lengthscale=None,ARD=False): self.D = D self.ARD = ARD if ARD == False: self.Nparam = 2 self.name = 'exp' if lengthscale is not None: lengthscale = np.asarray(lengthscale) assert lengthscale.size == 1, "Only one lengthscale needed for non-ARD kernel" else: lengthscale = np.ones(1) else: self.Nparam = self.D + 1 self.name = 'exp' if lengthscale is not None: lengthscale = np.asarray(lengthscale) assert lengthscale.size == self.D, "bad number of lengthscales" else: lengthscale = np.ones(self.D) self._set_params(np.hstack((variance,lengthscale.flatten()))) def _get_params(self): """return the value of the parameters.""" return np.hstack((self.variance,self.lengthscale)) def _set_params(self,x): """set the value of the parameters.""" assert x.size == self.Nparam self.variance = x[0] self.lengthscale = x[1:] def _get_param_names(self): """return parameter names.""" if self.Nparam == 2: return ['variance','lengthscale'] else: return ['variance']+['lengthscale_%i'%i for i in range(self.lengthscale.size)] def K(self,X,X2,target): """Compute the covariance matrix between X and X2.""" if X2 is None: X2 = X dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscale),-1)) np.add(self.variance*np.exp(-dist), target,target) def Kdiag(self,X,target): """Compute the diagonal of the covariance matrix associated to X.""" np.add(target,self.variance,target) def dK_dtheta(self,partial,X,X2,target): """derivative of the covariance matrix with respect to the parameters.""" if X2 is None: X2 = X dist = np.sqrt(np.sum(np.square((X[:,None,:]-X2[None,:,:])/self.lengthscale),-1)) invdist = 1./np.where(dist!=0.,dist,np.inf) dist2M = np.square(X[:,None,:]-X2[None,:,:])/self.lengthscale**3 dvar = np.exp(-dist) target[0] += np.sum(dvar*partial) if self.ARD == True: dl = self.variance*dvar[:,:,None]*dist2M*invdist[:,:,None] target[1:] += (dl*partial[:,:,None]).sum(0).sum(0) else: dl = self.variance*dvar*dist2M.sum(-1)*invdist target[1] += np.sum(dl*partial) def dKdiag_dtheta(self,partial,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(partial) def dK_dX(self,partial,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*partial.T[:,:,None],0) def dKdiag_dX(self,X,target): pass def Gram_matrix(self,F,F1,lower,upper): """ Return the Gram matrix of the vector of functions F with respect to the RKHS norm. The use of this function is limited to D=1. :param F: vector of functions :type F: np.array :param F1: vector of derivatives of F :type F1: np.array :param lower,upper: boundaries of the input domain :type lower,upper: floats """ assert self.D == 1 def L(x,i): return(1./self.lengthscale*F[i](x) + F1[i](x)) n = F.shape[0] G = np.zeros((n,n)) for i in range(n): for j in range(i,n): G[i,j] = G[j,i] = integrate.quad(lambda x : L(x,i)*L(x,j),lower,upper)[0] Flower = np.array([f(lower) for f in F])[:,None] return(self.lengthscale/2./self.variance * G + 1./self.variance * np.dot(Flower,Flower.T))