# Copyright (c) 2012, GPy authors (see AUTHORS.txt). # Licensed under the BSD 3-clause license (see LICENSE.txt) import numpy as np import pylab as pb from ..util.linalg import mdot, jitchol, chol_inv, tdot, symmetrify, pdinv, dtrtrs from ..util.plot import gpplot from .. import kern from scipy import stats from sparse_gp import SparseGP class FITC(SparseGP): """ sparse FITC approximation :param X: inputs :type X: np.ndarray (num_data x Q) :param likelihood: a likelihood instance, containing the observed data :type likelihood: GPy.likelihood.(Gaussian | EP) :param kernel : the kernel (covariance function). See link kernels :type kernel: a GPy.kern.kern instance :param Z: inducing inputs (optional, see note) :type Z: np.ndarray (M x Q) | None :param normalize_(X|Y) : whether to normalize the data before computing (predictions will be in original scales) :type normalize_(X|Y): bool """ def __init__(self, X, likelihood, kernel, Z, normalize_X=False): SparseGP.__init__(self, X, likelihood, kernel, Z, X_variance=None, normalize_X=False) assert self.output_dim == 1, "FITC model is not defined for handling multiple outputs" def update_likelihood_approximation(self): """ Approximates a non-Gaussian likelihood using Expectation Propagation For a Gaussian likelihood, no iteration is required: this function does nothing """ self.likelihood.restart() self.likelihood.fit_FITC(self.Kmm,self.psi1,self.psi0) self._set_params(self._get_params()) def _compute_kernel_matrices(self): # kernel computations, using BGPLVM notation self.Kmm = self.kern.K(self.Z) self.psi0 = self.kern.Kdiag(self.X) self.psi1 = self.kern.K(self.Z, self.X) self.psi2 = None def _computations(self): #factor Kmm self.Lm = jitchol(self.Kmm) self.Lmi,info = dtrtrs(self.Lm,np.eye(self.num_inducing),lower=1) Lmipsi1 = np.dot(self.Lmi,self.psi1) self.Qnn = np.dot(Lmipsi1.T,Lmipsi1).copy() self.Diag0 = self.psi0 - np.diag(self.Qnn) self.beta_star = self.likelihood.precision/(1. + self.likelihood.precision*self.Diag0[:,None]) #NOTE: beta_star contains Diag0 and the precision self.V_star = self.beta_star * self.likelihood.Y # The rather complex computations of self.A tmp = self.psi1 * (np.sqrt(self.beta_star.flatten().reshape(1, self.num_data))) tmp, _ = dtrtrs(self.Lm, np.asfortranarray(tmp), lower=1) self.A = tdot(tmp) # factor B self.B = np.eye(self.num_inducing) + self.A self.LB = jitchol(self.B) self.LBi = chol_inv(self.LB) self.psi1V = np.dot(self.psi1, self.V_star) Lmi_psi1V, info = dtrtrs(self.Lm, np.asfortranarray(self.psi1V), lower=1, trans=0) self._LBi_Lmi_psi1V, _ = dtrtrs(self.LB, np.asfortranarray(Lmi_psi1V), lower=1, trans=0) Kmmipsi1 = np.dot(self.Lmi.T,Lmipsi1) b_psi1_Ki = self.beta_star * Kmmipsi1.T Ki_pbp_Ki = np.dot(Kmmipsi1,b_psi1_Ki) Kmmi = np.dot(self.Lmi.T,self.Lmi) LBiLmi = np.dot(self.LBi,self.Lmi) LBL_inv = np.dot(LBiLmi.T,LBiLmi) VVT = np.outer(self.V_star,self.V_star) VV_p_Ki = np.dot(VVT,Kmmipsi1.T) Ki_pVVp_Ki = np.dot(Kmmipsi1,VV_p_Ki) psi1beta = self.psi1*self.beta_star.T H = self.Kmm + mdot(self.psi1,psi1beta.T) LH = jitchol(H) LHi = chol_inv(LH) Hi = np.dot(LHi.T,LHi) betapsi1TLmiLBi = np.dot(psi1beta.T,LBiLmi.T) alpha = np.array([np.dot(a.T,a) for a in betapsi1TLmiLBi])[:,None] gamma_1 = mdot(VVT,self.psi1.T,Hi) pHip = mdot(self.psi1.T,Hi,self.psi1) gamma_2 = mdot(self.beta_star*pHip,self.V_star) gamma_3 = self.V_star * gamma_2 self._dL_dpsi0 = -0.5 * self.beta_star#dA_dpsi0: logdet(self.beta_star) self._dL_dpsi0 += .5 * self.V_star**2 #dA_psi0: yT*beta_star*y self._dL_dpsi0 += .5 *alpha #dC_dpsi0 self._dL_dpsi0 += 0.5*mdot(self.beta_star*pHip,self.V_star)**2 - self.V_star * mdot(self.V_star.T,pHip*self.beta_star).T #dD_dpsi0 self._dL_dpsi1 = b_psi1_Ki.copy() #dA_dpsi1: logdet(self.beta_star) self._dL_dpsi1 += -np.dot(psi1beta.T,LBL_inv) #dC_dpsi1 self._dL_dpsi1 += gamma_1 - mdot(psi1beta.T,Hi,self.psi1,gamma_1) #dD_dpsi1 self._dL_dKmm = -0.5 * np.dot(Kmmipsi1,b_psi1_Ki) #dA_dKmm: logdet(self.beta_star) self._dL_dKmm += .5*(LBL_inv - Kmmi) + mdot(LBL_inv,psi1beta,Kmmipsi1.T) #dC_dKmm self._dL_dKmm += -.5 * mdot(Hi,self.psi1,gamma_1) #dD_dKmm self._dpsi1_dtheta = 0 self._dpsi1_dX = 0 self._dKmm_dtheta = 0 self._dKmm_dX = 0 self._dpsi1_dX_jkj = 0 self._dpsi1_dtheta_jkj = 0 for i,V_n,alpha_n,gamma_n,gamma_k in zip(range(self.num_data),self.V_star,alpha,gamma_2,gamma_3): K_pp_K = np.dot(Kmmipsi1[:,i:(i+1)],Kmmipsi1[:,i:(i+1)].T) _dpsi1 = (-V_n**2 - alpha_n + 2.*gamma_k - gamma_n**2) * Kmmipsi1.T[i:(i+1),:] _dKmm = .5*(V_n**2 + alpha_n + gamma_n**2 - 2.*gamma_k) * K_pp_K #Diag_dD_dKmm self._dpsi1_dtheta += self.kern.dK_dtheta(_dpsi1,self.X[i:i+1,:],self.Z) self._dKmm_dtheta += self.kern.dK_dtheta(_dKmm,self.Z) self._dKmm_dX += 2.*self.kern.dK_dX(_dKmm ,self.Z) self._dpsi1_dX += self.kern.dK_dX(_dpsi1.T,self.Z,self.X[i:i+1,:]) # the partial derivative vector for the likelihood if self.likelihood.Nparams == 0: # save computation here. self.partial_for_likelihood = None elif self.likelihood.is_heteroscedastic: raise NotImplementedError, "heteroscedatic derivates not implemented." else: # likelihood is not heterscedatic dbstar_dnoise = self.likelihood.precision * (self.beta_star**2 * self.Diag0[:,None] - self.beta_star) Lmi_psi1 = mdot(self.Lmi,self.psi1) LBiLmipsi1 = np.dot(self.LBi,Lmi_psi1) aux_0 = np.dot(self._LBi_Lmi_psi1V.T,LBiLmipsi1) aux_1 = self.likelihood.Y.T * np.dot(self._LBi_Lmi_psi1V.T,LBiLmipsi1) aux_2 = np.dot(LBiLmipsi1.T,self._LBi_Lmi_psi1V) dA_dnoise = 0.5 * self.input_dim * (dbstar_dnoise/self.beta_star).sum() - 0.5 * self.input_dim * np.sum(self.likelihood.Y**2 * dbstar_dnoise) dC_dnoise = -0.5 * np.sum(mdot(self.LBi.T,self.LBi,Lmi_psi1) * Lmi_psi1 * dbstar_dnoise.T) dD_dnoise_1 = mdot(self.V_star*LBiLmipsi1.T,LBiLmipsi1*dbstar_dnoise.T*self.likelihood.Y.T) alpha = mdot(LBiLmipsi1,self.V_star) alpha_ = mdot(LBiLmipsi1.T,alpha) dD_dnoise_2 = -0.5 * self.input_dim * np.sum(alpha_**2 * dbstar_dnoise ) dD_dnoise_1 = mdot(self.V_star.T,self.psi1.T,self.Lmi.T,self.LBi.T,self.LBi,self.Lmi,self.psi1,dbstar_dnoise*self.likelihood.Y) dD_dnoise_2 = 0.5*mdot(self.V_star.T,self.psi1.T,Hi,self.psi1,dbstar_dnoise*self.psi1.T,Hi,self.psi1,self.V_star) dD_dnoise = dD_dnoise_1 + dD_dnoise_2 self.partial_for_likelihood = dA_dnoise + dC_dnoise + dD_dnoise def log_likelihood(self): """ Compute the (lower bound on the) log marginal likelihood """ A = -0.5 * self.num_data * self.output_dim * np.log(2.*np.pi) + 0.5 * np.sum(np.log(self.beta_star)) - 0.5 * np.sum(self.V_star * self.likelihood.Y) C = -self.output_dim * (np.sum(np.log(np.diag(self.LB)))) D = 0.5 * np.sum(np.square(self._LBi_Lmi_psi1V)) return A + C + D def _log_likelihood_gradients(self): pass return np.hstack((self.dL_dZ().flatten(), self.dL_dtheta(), self.likelihood._gradients(partial=self.partial_for_likelihood))) def dL_dtheta(self): dL_dtheta = self.kern.dKdiag_dtheta(self._dL_dpsi0,self.X) dL_dtheta += self.kern.dK_dtheta(self._dL_dpsi1,self.X,self.Z) dL_dtheta += self.kern.dK_dtheta(self._dL_dKmm,X=self.Z) dL_dtheta += self._dKmm_dtheta dL_dtheta += self._dpsi1_dtheta return dL_dtheta def dL_dZ(self): dL_dZ = self.kern.dK_dX(self._dL_dpsi1.T,self.Z,self.X) dL_dZ += 2. * self.kern.dK_dX(self._dL_dKmm,X=self.Z) dL_dZ += self._dpsi1_dX dL_dZ += self._dKmm_dX return dL_dZ def _raw_predict(self, Xnew, X_variance_new=None, which_parts='all', full_cov=False): assert X_variance_new is None, "FITC model is not defined for handling uncertain inputs." if self.likelihood.is_heteroscedastic: Iplus_Dprod_i = 1./(1.+ self.Diag0 * self.likelihood.precision.flatten()) self.Diag = self.Diag0 * Iplus_Dprod_i self.P = Iplus_Dprod_i[:,None] * self.psi1.T self.RPT0 = np.dot(self.Lmi,self.psi1) self.L = np.linalg.cholesky(np.eye(self.num_inducing) + np.dot(self.RPT0,((1. - Iplus_Dprod_i)/self.Diag0)[:,None]*self.RPT0.T)) self.R,info = dtrtrs(self.L,self.Lmi,lower=1) self.RPT = np.dot(self.R,self.P.T) self.Sigma = np.diag(self.Diag) + np.dot(self.RPT.T,self.RPT) self.w = self.Diag * self.likelihood.v_tilde self.Gamma = np.dot(self.R.T, np.dot(self.RPT,self.likelihood.v_tilde)) self.mu = self.w + np.dot(self.P,self.Gamma) """ Make a prediction for the generalized FITC model Arguments --------- X : Input prediction data - Nx1 numpy array (floats) """ # q(u|f) = N(u| R0i*mu_u*f, R0i*C*R0i.T) # Ci = I + (RPT0)Di(RPT0).T # C = I - [RPT0] * (input_dim+[RPT0].T*[RPT0])^-1*[RPT0].T # = I - [RPT0] * (input_dim + self.Qnn)^-1 * [RPT0].T # = I - [RPT0] * (U*U.T)^-1 * [RPT0].T # = I - V.T * V U = np.linalg.cholesky(np.diag(self.Diag0) + self.Qnn) V,info = dtrtrs(U,self.RPT0.T,lower=1) C = np.eye(self.num_inducing) - np.dot(V.T,V) mu_u = np.dot(C,self.RPT0)*(1./self.Diag0[None,:]) #self.C = C #self.RPT0 = np.dot(self.R0,self.Knm.T) P0.T #self.mu_u = mu_u #self.U = U # q(u|y) = N(u| R0i*mu_H,R0i*Sigma_H*R0i.T) mu_H = np.dot(mu_u,self.mu) self.mu_H = mu_H Sigma_H = C + np.dot(mu_u,np.dot(self.Sigma,mu_u.T)) # q(f_star|y) = N(f_star|mu_star,sigma2_star) Kx = self.kern.K(self.Z, Xnew, which_parts=which_parts) KR0T = np.dot(Kx.T,self.Lmi.T) mu_star = np.dot(KR0T,mu_H) if full_cov: Kxx = self.kern.K(Xnew,which_parts=which_parts) var = Kxx + np.dot(KR0T,np.dot(Sigma_H - np.eye(self.num_inducing),KR0T.T)) else: Kxx = self.kern.Kdiag(Xnew,which_parts=which_parts) var = (Kxx + np.sum(KR0T.T*np.dot(Sigma_H - np.eye(self.num_inducing),KR0T.T),0))[:,None] return mu_star[:,None],var else: raise NotImplementedError, "Heteroscedastic case not implemented." """ Kx = self.kern.K(self.Z, Xnew) mu = mdot(Kx.T, self.C/self.scale_factor, self.psi1V) if full_cov: Kxx = self.kern.K(Xnew) var = Kxx - mdot(Kx.T, (self.Kmmi - self.C/self.scale_factor**2), Kx) #NOTE this won't work for plotting else: Kxx = self.kern.Kdiag(Xnew) var = Kxx - np.sum(Kx*np.dot(self.Kmmi - self.C/self.scale_factor**2, Kx),0) return mu,var[:,None] """