# 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 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}^input_dim \\frac{(x_i-y_i)^2}{\ell_i^2} } :param input_dim: the number of input dimensions :type input_dim: 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, input_dim, variance=1., lengthscale=None, ARD=False): self.input_dim = input_dim self.ARD = ARD if ARD == False: self.num_params = 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.num_params = self.input_dim + 1 self.name = 'exp' if lengthscale is not None: lengthscale = np.asarray(lengthscale) assert lengthscale.size == self.input_dim, "bad number of lengthscales" else: lengthscale = np.ones(self.input_dim) 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.num_params self.variance = x[0] self.lengthscale = x[1:] def _get_param_names(self): """return parameter names.""" if self.num_params == 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, dL_dK, 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 * dL_dK) if self.ARD == True: dl = self.variance * dvar[:, :, None] * dist2M * invdist[:, :, None] target[1:] += (dl * dL_dK[:, :, None]).sum(0).sum(0) else: dl = self.variance * dvar * dist2M.sum(-1) * invdist target[1] += np.sum(dl * 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 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 input_dim=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.input_dim == 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))