# Copyright (c) 2012, GPy authors (see AUTHORS.txt). # Licensed under the BSD 3-clause license (see LICENSE.txt) from posterior import Posterior from ...util.linalg import mdot, jitchol, backsub_both_sides, tdot, dtrtrs, dtrtri, dpotri, dpotrs, symmetrify from ...util import diag from ...core.parameterization.variational import VariationalPosterior import numpy as np from ...util.misc import param_to_array from . import LatentFunctionInference log_2_pi = np.log(2*np.pi) import logging, itertools logger = logging.getLogger('vardtc') class VarDTC(LatentFunctionInference): """ An object for inference when the likelihood is Gaussian, but we want to do sparse inference. The function self.inference returns a Posterior object, which summarizes the posterior. For efficiency, we sometimes work with the cholesky of Y*Y.T. To save repeatedly recomputing this, we cache it. """ const_jitter = 1e-6 def __init__(self, limit=1): #self._YYTfactor_cache = caching.cache() from ...util.caching import Cacher self.limit = limit self.get_trYYT = Cacher(self._get_trYYT, limit) self.get_YYTfactor = Cacher(self._get_YYTfactor, limit) def set_limit(self, limit): self.get_trYYT.limit = limit self.get_YYTfactor.limit = limit def _get_trYYT(self, Y): return param_to_array(np.sum(np.square(Y))) def __getstate__(self): # has to be overridden, as Cacher objects cannot be pickled. return self.limit def __setstate__(self, state): # has to be overridden, as Cacher objects cannot be pickled. self.limit = state from ...util.caching import Cacher self.get_trYYT = Cacher(self._get_trYYT, self.limit) self.get_YYTfactor = Cacher(self._get_YYTfactor, self.limit) def _get_YYTfactor(self, Y): """ find a matrix L which satisfies LLT = YYT. Note that L may have fewer columns than Y. """ N, D = Y.shape if (N>=D): return param_to_array(Y) else: return jitchol(tdot(Y)) def get_VVTfactor(self, Y, prec): return Y * prec # TODO chache this, and make it effective def inference(self, kern, X, Z, likelihood, Y, Y_metadata=None): if isinstance(X, VariationalPosterior): uncertain_inputs = True psi0 = kern.psi0(Z, X) psi1 = kern.psi1(Z, X) psi2 = kern.psi2(Z, X) else: uncertain_inputs = False psi0 = kern.Kdiag(X) psi1 = kern.K(X, Z) psi2 = None #see whether we're using variational uncertain inputs _, output_dim = Y.shape #see whether we've got a different noise variance for each datum beta = 1./np.fmax(likelihood.gaussian_variance(Y_metadata), 1e-6) # VVT_factor is a matrix such that tdot(VVT_factor) = VVT...this is for efficiency! #self.YYTfactor = self.get_YYTfactor(Y) #VVT_factor = self.get_VVTfactor(self.YYTfactor, beta) VVT_factor = beta*Y #VVT_factor = beta*Y trYYT = self.get_trYYT(Y) # do the inference: het_noise = beta.size > 1 num_inducing = Z.shape[0] num_data = Y.shape[0] # kernel computations, using BGPLVM notation Kmm = kern.K(Z).copy() diag.add(Kmm, self.const_jitter) Lm = jitchol(Kmm) # The rather complex computations of A if uncertain_inputs: if het_noise: psi2_beta = psi2 * (beta.flatten().reshape(num_data, 1, 1)).sum(0) else: psi2_beta = psi2.sum(0) * beta #if 0: # evals, evecs = linalg.eigh(psi2_beta) # clipped_evals = np.clip(evals, 0., 1e6) # TODO: make clipping configurable # if not np.array_equal(evals, clipped_evals): # pass # print evals # tmp = evecs * np.sqrt(clipped_evals) # tmp = tmp.T # no backsubstitution because of bound explosion on tr(A) if not... LmInv = dtrtri(Lm) A = LmInv.dot(psi2_beta.dot(LmInv.T)) else: if het_noise: tmp = psi1 * (np.sqrt(beta.reshape(num_data, 1))) else: tmp = psi1 * (np.sqrt(beta)) tmp, _ = dtrtrs(Lm, tmp.T, lower=1) A = tdot(tmp) #print A.sum() # factor B B = np.eye(num_inducing) + A LB = jitchol(B) psi1Vf = np.dot(psi1.T, VVT_factor) # back substutue C into psi1Vf tmp, _ = dtrtrs(Lm, psi1Vf, lower=1, trans=0) _LBi_Lmi_psi1Vf, _ = dtrtrs(LB, tmp, lower=1, trans=0) tmp, _ = dtrtrs(LB, _LBi_Lmi_psi1Vf, lower=1, trans=1) Cpsi1Vf, _ = dtrtrs(Lm, tmp, lower=1, trans=1) # data fit and derivative of L w.r.t. Kmm delit = tdot(_LBi_Lmi_psi1Vf) data_fit = np.trace(delit) DBi_plus_BiPBi = backsub_both_sides(LB, output_dim * np.eye(num_inducing) + delit) delit = -0.5 * DBi_plus_BiPBi delit += -0.5 * B * output_dim delit += output_dim * np.eye(num_inducing) # Compute dL_dKmm dL_dKmm = backsub_both_sides(Lm, delit) # derivatives of L w.r.t. psi dL_dpsi0, dL_dpsi1, dL_dpsi2 = _compute_dL_dpsi(num_inducing, num_data, output_dim, beta, Lm, VVT_factor, Cpsi1Vf, DBi_plus_BiPBi, psi1, het_noise, uncertain_inputs) # log marginal likelihood log_marginal = _compute_log_marginal_likelihood(likelihood, num_data, output_dim, beta, het_noise, psi0, A, LB, trYYT, data_fit, VVT_factor) #put the gradients in the right places dL_dR = _compute_dL_dR(likelihood, het_noise, uncertain_inputs, LB, _LBi_Lmi_psi1Vf, DBi_plus_BiPBi, Lm, A, psi0, psi1, beta, data_fit, num_data, output_dim, trYYT, Y) dL_dthetaL = likelihood.exact_inference_gradients(dL_dR,Y_metadata) if uncertain_inputs: grad_dict = {'dL_dKmm': dL_dKmm, 'dL_dpsi0':dL_dpsi0, 'dL_dpsi1':dL_dpsi1, 'dL_dpsi2':dL_dpsi2, 'dL_dthetaL':dL_dthetaL} else: grad_dict = {'dL_dKmm': dL_dKmm, 'dL_dKdiag':dL_dpsi0, 'dL_dKnm':dL_dpsi1, 'dL_dthetaL':dL_dthetaL} #get sufficient things for posterior prediction #TODO: do we really want to do this in the loop? if VVT_factor.shape[1] == Y.shape[1]: woodbury_vector = Cpsi1Vf # == Cpsi1V else: print 'foobar' psi1V = np.dot(Y.T*beta, psi1).T tmp, _ = dtrtrs(Lm, psi1V, lower=1, trans=0) tmp, _ = dpotrs(LB, tmp, lower=1) woodbury_vector, _ = dtrtrs(Lm, tmp, lower=1, trans=1) Bi, _ = dpotri(LB, lower=1) symmetrify(Bi) Bi = -dpotri(LB, lower=1)[0] diag.add(Bi, 1) woodbury_inv = backsub_both_sides(Lm, Bi) #construct a posterior object post = Posterior(woodbury_inv=woodbury_inv, woodbury_vector=woodbury_vector, K=Kmm, mean=None, cov=None, K_chol=Lm) return post, log_marginal, grad_dict class VarDTCMissingData(LatentFunctionInference): const_jitter = 1e-10 def __init__(self, limit=1, inan=None): from ...util.caching import Cacher self._Y = Cacher(self._subarray_computations, limit) if inan is not None: self._inan = ~inan else: self._inan = None pass def set_limit(self, limit): self._Y.limit = limit def __getstate__(self): # has to be overridden, as Cacher objects cannot be pickled. return self._Y.limit, self._inan def __setstate__(self, state): # has to be overridden, as Cacher objects cannot be pickled. from ...util.caching import Cacher self.limit = state[0] self._inan = state[1] self._Y = Cacher(self._subarray_computations, self.limit) def _subarray_computations(self, Y): if self._inan is None: inan = np.isnan(Y) has_none = inan.any() self._inan = ~inan else: inan = self._inan has_none = True if has_none: #print "caching missing data slices, this can take several minutes depending on the number of unique dimensions of the data..." #csa = common_subarrays(inan, 1) size = Y.shape[1] #logger.info('preparing subarrays {:3.3%}'.format((i+1.)/size)) Ys = [] next_ten = [0.] count = itertools.count() for v, y in itertools.izip(inan.T, Y.T[:,:,None]): i = count.next() if ((i+1.)/size) >= next_ten[0]: logger.info('preparing subarrays {:>6.1%}'.format((i+1.)/size)) next_ten[0] += .1 Ys.append(y[v,:]) next_ten = [0.] count = itertools.count() def trace(y): i = count.next() if ((i+1.)/size) >= next_ten[0]: logger.info('preparing traces {:>6.1%}'.format((i+1.)/size)) next_ten[0] += .1 y = y[inan[:,i],i:i+1] return np.einsum('ij,ij->', y,y) traces = [trace(Y) for _ in xrange(size)] return Ys, traces else: self._subarray_indices = [[slice(None),slice(None)]] return [Y], [(Y**2).sum()] def inference(self, kern, X, Z, likelihood, Y, Y_metadata=None): if isinstance(X, VariationalPosterior): uncertain_inputs = True psi0_all = kern.psi0(Z, X) psi1_all = kern.psi1(Z, X) psi2_all = kern.psi2(Z, X) else: uncertain_inputs = False psi0_all = kern.Kdiag(X) psi1_all = kern.K(X, Z) psi2_all = None Ys, traces = self._Y(Y) beta_all = 1./np.fmax(likelihood.gaussian_variance(Y_metadata), 1e-6) het_noise = beta_all.size != 1 num_inducing = Z.shape[0] dL_dpsi0_all = np.zeros(Y.shape[0]) dL_dpsi1_all = np.zeros((Y.shape[0], num_inducing)) if uncertain_inputs: dL_dpsi2_all = np.zeros((Y.shape[0], num_inducing, num_inducing)) dL_dR = 0 woodbury_vector = np.zeros((num_inducing, Y.shape[1])) woodbury_inv_all = np.zeros((num_inducing, num_inducing, Y.shape[1])) dL_dKmm = 0 log_marginal = 0 Kmm = kern.K(Z).copy() diag.add(Kmm, self.const_jitter) #factor Kmm Lm = jitchol(Kmm) if uncertain_inputs: LmInv = dtrtri(Lm) size = Y.shape[1] next_ten = 0 for i, [y, v, trYYT] in enumerate(itertools.izip(Ys, self._inan.T, traces)): if ((i+1.)/size) >= next_ten: logger.info('inference {:> 6.1%}'.format((i+1.)/size)) next_ten += .1 if het_noise: beta = beta_all[i] else: beta = beta_all VVT_factor = (y*beta) output_dim = 1#len(ind) psi0 = psi0_all[v] psi1 = psi1_all[v, :] if uncertain_inputs: psi2 = psi2_all[v, :] else: psi2 = None num_data = psi1.shape[0] if uncertain_inputs: if het_noise: psi2_beta = psi2 * (beta.flatten().reshape(num_data, 1, 1)).sum(0) else: psi2_beta = psi2.sum(0) * beta A = LmInv.dot(psi2_beta.dot(LmInv.T)) else: if het_noise: tmp = psi1 * (np.sqrt(beta.reshape(num_data, 1))) else: tmp = psi1 * (np.sqrt(beta)) tmp, _ = dtrtrs(Lm, tmp.T, lower=1) A = tdot(tmp) #print A.sum() # factor B B = np.eye(num_inducing) + A LB = jitchol(B) psi1Vf = psi1.T.dot(VVT_factor) tmp, _ = dtrtrs(Lm, psi1Vf, lower=1, trans=0) _LBi_Lmi_psi1Vf, _ = dtrtrs(LB, tmp, lower=1, trans=0) tmp, _ = dtrtrs(LB, _LBi_Lmi_psi1Vf, lower=1, trans=1) Cpsi1Vf, _ = dtrtrs(Lm, tmp, lower=1, trans=1) # data fit and derivative of L w.r.t. Kmm delit = tdot(_LBi_Lmi_psi1Vf) data_fit = np.trace(delit) DBi_plus_BiPBi = backsub_both_sides(LB, output_dim * np.eye(num_inducing) + delit) delit = -0.5 * DBi_plus_BiPBi delit += -0.5 * B * output_dim delit += output_dim * np.eye(num_inducing) dL_dKmm += backsub_both_sides(Lm, delit) # derivatives of L w.r.t. psi dL_dpsi0, dL_dpsi1, dL_dpsi2 = _compute_dL_dpsi(num_inducing, num_data, output_dim, beta, Lm, VVT_factor, Cpsi1Vf, DBi_plus_BiPBi, psi1, het_noise, uncertain_inputs) dL_dpsi0_all[v] += dL_dpsi0 dL_dpsi1_all[v, :] += dL_dpsi1 if uncertain_inputs: dL_dpsi2_all[v, :] += dL_dpsi2 # log marginal likelihood log_marginal += _compute_log_marginal_likelihood(likelihood, num_data, output_dim, beta, het_noise, psi0, A, LB, trYYT, data_fit,VVT_factor) #put the gradients in the right places dL_dR += _compute_dL_dR(likelihood, het_noise, uncertain_inputs, LB, _LBi_Lmi_psi1Vf, DBi_plus_BiPBi, Lm, A, psi0, psi1, beta, data_fit, num_data, output_dim, trYYT, Y) #if full_VVT_factor: woodbury_vector[:, i:i+1] = Cpsi1Vf #else: # print 'foobar' # tmp, _ = dtrtrs(Lm, psi1V, lower=1, trans=0) # tmp, _ = dpotrs(LB, tmp, lower=1) # woodbury_vector[:, ind] = dtrtrs(Lm, tmp, lower=1, trans=1)[0] #import ipdb;ipdb.set_trace() Bi, _ = dpotri(LB, lower=1) symmetrify(Bi) Bi = -dpotri(LB, lower=1)[0] diag.add(Bi, 1) woodbury_inv_all[:, :, i:i+1] = backsub_both_sides(Lm, Bi)[:,:,None] dL_dthetaL = likelihood.exact_inference_gradients(dL_dR) # gradients: if uncertain_inputs: grad_dict = {'dL_dKmm': dL_dKmm, 'dL_dpsi0':dL_dpsi0_all, 'dL_dpsi1':dL_dpsi1_all, 'dL_dpsi2':dL_dpsi2_all, 'dL_dthetaL':dL_dthetaL} else: grad_dict = {'dL_dKmm': dL_dKmm, 'dL_dKdiag':dL_dpsi0_all, 'dL_dKnm':dL_dpsi1_all, 'dL_dthetaL':dL_dthetaL} post = Posterior(woodbury_inv=woodbury_inv_all, woodbury_vector=woodbury_vector, K=Kmm, mean=None, cov=None, K_chol=Lm) return post, log_marginal, grad_dict def _compute_dL_dpsi(num_inducing, num_data, output_dim, beta, Lm, VVT_factor, Cpsi1Vf, DBi_plus_BiPBi, psi1, het_noise, uncertain_inputs): dL_dpsi0 = -0.5 * output_dim * (beta[:,None] * np.ones([num_data, 1])).flatten() dL_dpsi1 = np.dot(VVT_factor, Cpsi1Vf.T) dL_dpsi2_beta = 0.5 * backsub_both_sides(Lm, output_dim * np.eye(num_inducing) - DBi_plus_BiPBi) if het_noise: if uncertain_inputs: dL_dpsi2 = beta[:, None, None] * dL_dpsi2_beta[None, :, :] else: dL_dpsi1 += 2.*np.dot(dL_dpsi2_beta, (psi1 * beta.reshape(num_data, 1)).T).T dL_dpsi2 = None else: dL_dpsi2 = beta * dL_dpsi2_beta if uncertain_inputs: # repeat for each of the N psi_2 matrices dL_dpsi2 = np.repeat(dL_dpsi2[None, :, :], num_data, axis=0) else: # subsume back into psi1 (==Kmn) dL_dpsi1 += 2.*np.dot(psi1, dL_dpsi2) dL_dpsi2 = None return dL_dpsi0, dL_dpsi1, dL_dpsi2 def _compute_dL_dR(likelihood, het_noise, uncertain_inputs, LB, _LBi_Lmi_psi1Vf, DBi_plus_BiPBi, Lm, A, psi0, psi1, beta, data_fit, num_data, output_dim, trYYT, Y): # the partial derivative vector for the likelihood if likelihood.size == 0: # save computation here. dL_dR = None elif het_noise: if uncertain_inputs: raise NotImplementedError, "heteroscedatic derivates with uncertain inputs not implemented" else: #from ...util.linalg import chol_inv #LBi = chol_inv(LB) LBi, _ = dtrtrs(LB,np.eye(LB.shape[0])) Lmi_psi1, nil = dtrtrs(Lm, psi1.T, lower=1, trans=0) _LBi_Lmi_psi1, _ = dtrtrs(LB, Lmi_psi1, lower=1, trans=0) dL_dR = -0.5 * beta + 0.5 * (beta*Y)**2 dL_dR += 0.5 * output_dim * (psi0 - np.sum(Lmi_psi1**2,0))[:,None] * beta**2 dL_dR += 0.5*np.sum(mdot(LBi.T,LBi,Lmi_psi1)*Lmi_psi1,0)[:,None]*beta**2 dL_dR += -np.dot(_LBi_Lmi_psi1Vf.T,_LBi_Lmi_psi1).T * Y * beta**2 dL_dR += 0.5*np.dot(_LBi_Lmi_psi1Vf.T,_LBi_Lmi_psi1).T**2 * beta**2 else: # likelihood is not heteroscedatic dL_dR = -0.5 * num_data * output_dim * beta + 0.5 * trYYT * beta ** 2 dL_dR += 0.5 * output_dim * (psi0.sum() * beta ** 2 - np.trace(A) * beta) dL_dR += beta * (0.5 * np.sum(A * DBi_plus_BiPBi) - data_fit) return dL_dR def _compute_log_marginal_likelihood(likelihood, num_data, output_dim, beta, het_noise, psi0, A, LB, trYYT, data_fit,Y): #compute log marginal likelihood if het_noise: lik_1 = -0.5 * num_data * output_dim * np.log(2. * np.pi) + 0.5 * np.sum(np.log(beta)) - 0.5 * np.sum(beta * np.square(Y).sum(axis=-1)) lik_2 = -0.5 * output_dim * (np.sum(beta.flatten() * psi0) - np.trace(A)) else: lik_1 = -0.5 * num_data * output_dim * (np.log(2. * np.pi) - np.log(beta)) - 0.5 * beta * trYYT lik_2 = -0.5 * output_dim * (np.sum(beta * psi0) - np.trace(A)) lik_3 = -output_dim * (np.sum(np.log(np.diag(LB)))) lik_4 = 0.5 * data_fit log_marginal = lik_1 + lik_2 + lik_3 + lik_4 return log_marginal