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Add eq_ode1 kern and ibp_lfm model
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4 changed files with 1150 additions and 0 deletions
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@ -24,6 +24,7 @@ from .src.ODE_st import ODE_st
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from .src.ODE_t import ODE_t
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from .src.ODE_t import ODE_t
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from .src.poly import Poly
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from .src.poly import Poly
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from .src.eq_ode2 import EQ_ODE2
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from .src.eq_ode2 import EQ_ODE2
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from .src.eq_ode1 import EQ_ODE1
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from .src.trunclinear import TruncLinear,TruncLinear_inf
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from .src.trunclinear import TruncLinear,TruncLinear_inf
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from .src.splitKern import SplitKern,DEtime
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from .src.splitKern import SplitKern,DEtime
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from .src.splitKern import DEtime as DiffGenomeKern
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from .src.splitKern import DEtime as DiffGenomeKern
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612
GPy/kern/src/eq_ode1.py
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612
GPy/kern/src/eq_ode1.py
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@ -0,0 +1,612 @@
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# Copyright (c) 2014, Cristian Guarnizo.
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# Licensed under the BSD 3-clause license (see LICENSE.txt)
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import numpy as np
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from scipy.special import erf, erfcx
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from .kern import Kern
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from ...core.parameterization import Param
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from paramz.transformations import Logexp
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from paramz.caching import Cache_this
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class EQ_ODE1(Kern):
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"""
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Covariance function for first order differential equation driven by an exponentiated quadratic covariance.
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This outputs of this kernel have the form
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.. math::
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\frac{\text{d}y_j}{\text{d}t} = \sum_{i=1}^R w_{j,i} u_i(t-\delta_j) - d_jy_j(t)
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where :math:`R` is the rank of the system, :math:`w_{j,i}` is the sensitivity of the :math:`j`th output to the :math:`i`th latent function, :math:`d_j` is the decay rate of the :math:`j`th output and :math:`u_i(t)` are independent latent Gaussian processes goverened by an exponentiated quadratic covariance.
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:param output_dim: number of outputs driven by latent function.
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:type output_dim: int
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:param W: sensitivities of each output to the latent driving function.
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:type W: ndarray (output_dim x rank).
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:param rank: If rank is greater than 1 then there are assumed to be a total of rank latent forces independently driving the system, each with identical covariance.
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:type rank: int
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:param decay: decay rates for the first order system.
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:type decay: array of length output_dim.
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:param delay: delay between latent force and output response.
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:type delay: array of length output_dim.
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:param kappa: diagonal term that allows each latent output to have an independent component to the response.
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:type kappa: array of length output_dim.
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.. Note: see first order differential equation examples in GPy.examples.regression for some usage.
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"""
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def __init__(self, input_dim=2, output_dim=1, rank=1, W = None, lengthscale=None, decay=None, active_dims=None, name='eq_ode1'):
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assert input_dim == 2, "only defined for 1 input dims"
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super(EQ_ODE1, self).__init__(input_dim=input_dim, active_dims=active_dims, name=name)
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self.rank = rank
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self.output_dim = output_dim
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if lengthscale is None:
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lengthscale = .5 + np.random.rand(self.rank)
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else:
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lengthscale = np.asarray(lengthscale)
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assert lengthscale.size in [1, self.rank], "Bad number of lengthscales"
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if lengthscale.size != self.rank:
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lengthscale = np.ones(self.rank)*lengthscale
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if W is None:
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W = .5*np.random.randn(self.output_dim, self.rank)/np.sqrt(self.rank)
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else:
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assert W.shape == (self.output_dim, self.rank)
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if decay is None:
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decay = np.ones(self.output_dim)
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else:
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decay = np.asarray(decay)
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assert decay.size in [1, self.output_dim], "Bad number of decay"
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if decay.size != self.output_dim:
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decay = np.ones(self.output_dim)*decay
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# if kappa is None:
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# self.kappa = np.ones(self.output_dim)
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# else:
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# kappa = np.asarray(kappa)
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# assert kappa.size in [1, self.output_dim], "Bad number of kappa"
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# if decay.size != self.output_dim:
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# decay = np.ones(self.output_dim)*kappa
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#self.kappa = Param('kappa', kappa, Logexp())
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#self.delay = Param('delay', delay, Logexp())
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#self.is_normalized = True
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#self.is_stationary = False
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#self.gaussian_initial = False
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self.lengthscale = Param('lengthscale', lengthscale, Logexp())
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self.decay = Param('decay', decay, Logexp())
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self.W = Param('W', W)
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self.link_parameters(self.lengthscale, self.decay, self.W)
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@Cache_this(limit=3)
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def K(self, X, X2=None):
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#This way is not working, indexes are lost after using k._slice_X
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#index = np.asarray(X, dtype=np.int)
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#index = index.reshape(index.size,)
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if hasattr(X, 'values'):
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X = X.values
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index = np.int_(np.round(X[:, 1]))
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index = index.reshape(index.size,)
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X_flag = index[0] >= self.output_dim
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if X2 is None:
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if X_flag:
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#Calculate covariance function for the latent functions
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index -= self.output_dim
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return self._Kuu(X, index)
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else:
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raise NotImplementedError
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else:
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#This way is not working, indexes are lost after using k._slice_X
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#index2 = np.asarray(X2, dtype=np.int)
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#index2 = index2.reshape(index2.size,)
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if hasattr(X2, 'values'):
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X2 = X2.values
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index2 = np.int_(np.round(X2[:, 1]))
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index2 = index2.reshape(index2.size,)
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X2_flag = index2[0] >= self.output_dim
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#Calculate cross-covariance function
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if not X_flag and X2_flag:
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index2 -= self.output_dim
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return self._Kfu(X, index, X2, index2) #Kfu
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else:
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index -= self.output_dim
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return self._Kfu(X2, index2, X, index).T #Kuf
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#Calculate the covariance function for diag(Kff(X,X))
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def Kdiag(self, X):
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#This way is not working, indexes are lost after using k._slice_X
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#index = np.asarray(X, dtype=np.int)
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#index = index.reshape(index.size,)
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if hasattr(X, 'values'):
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X = X.values
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index = np.int_(X[:, 1])
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index = index.reshape(index.size,)
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#terms that move along t
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t = X[:, 0].reshape(X.shape[0], 1)
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d = np.unique(index) #Output Indexes
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B = self.decay.values[d]
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S = self.W.values[d, :]
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#Index transformation
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indd = np.arange(self.output_dim)
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indd[d] = np.arange(d.size)
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index = indd[index]
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B = B.reshape(B.size, 1)
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#Terms that move along q
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lq = self.lengthscale.values.reshape(1, self.rank)
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S2 = S*S
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kdiag = np.empty((t.size, ))
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#Dx1 terms
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c0 = (S2/B)*((.5*np.sqrt(np.pi))*lq)
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#DxQ terms
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nu = lq*(B*.5)
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nu2 = nu*nu
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#Nx1 terms
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gamt = -2.*B
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gamt = gamt[index]*t
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#NxQ terms
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t_lq = t/lq
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# Upsilon Calculations
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# Using wofz
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#erfnu = erf(nu)
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upm = np.exp(nu2[index, :] + lnDifErf( nu[index, :] ,t_lq+nu[index,:] ))
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upm[t[:, 0] == 0, :] = 0.
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upv = np.exp(nu2[index, :] + gamt + lnDifErf( -t_lq+nu[index,:], nu[index, :] ) )
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upv[t[:, 0] == 0, :] = 0.
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#Covariance calculation
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#kdiag = np.sum(c0[index, :]*(upm-upv), axis=1)
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kdiag = c0[index, :]*(upm-upv)
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return kdiag
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def update_gradients_full(self, dL_dK, X, X2 = None):
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#index = np.asarray(X, dtype=np.int)
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#index = index.reshape(index.size,)
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if hasattr(X, 'values'):
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X = X.values
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self.decay.gradient = np.zeros(self.decay.shape)
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self.W.gradient = np.zeros(self.W.shape)
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self.lengthscale.gradient = np.zeros(self.lengthscale.shape)
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index = np.int_(np.round(X[:, 1]))
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index = index.reshape(index.size,)
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X_flag = index[0] >= self.output_dim
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if X2 is None:
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if X_flag: #Kuu or Kmm
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index -= self.output_dim
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tmp = dL_dK*self._gkuu_lq(X, index)
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for q in np.unique(index):
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ind = np.where(index == q)
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self.lengthscale.gradient[q] = tmp[np.ix_(ind[0], ind[0])].sum()
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else:
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raise NotImplementedError
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else: #Kfu or Knm
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#index2 = np.asarray(X2, dtype=np.int)
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#index2 = index2.reshape(index2.size,)
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if hasattr(X2, 'values'):
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X2 = X2.values
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index2 = np.int_(np.round(X2[:, 1]))
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index2 = index2.reshape(index2.size,)
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X2_flag = index2[0] >= self.output_dim
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if not X_flag and X2_flag: #Kfu
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index2 -= self.output_dim
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else: #Kuf
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dL_dK = dL_dK.T #so we obtaing dL_Kfu
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indtemp = index - self.output_dim
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Xtemp = X
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X = X2
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X2 = Xtemp
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index = index2
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index2 = indtemp
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glq, gSdq, gB = self._gkfu(X, index, X2, index2)
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tmp = dL_dK*glq
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for q in np.unique(index2):
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ind = np.where(index2 == q)
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self.lengthscale.gradient[q] = tmp[:, ind].sum()
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tmpB = dL_dK*gB
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tmp = dL_dK*gSdq
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for d in np.unique(index):
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ind = np.where(index == d)
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self.decay.gradient[d] = tmpB[ind, :].sum()
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for q in np.unique(index2):
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ind2 = np.where(index2 == q)
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self.W.gradient[d, q] = tmp[np.ix_(ind[0], ind2[0])].sum()
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def update_gradients_diag(self, dL_dKdiag, X):
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#index = np.asarray(X, dtype=np.int)
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#index = index.reshape(index.size,)
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if hasattr(X, 'values'):
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X = X.values
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self.decay.gradient = np.zeros(self.decay.shape)
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self.W.gradient = np.zeros(self.W.shape)
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self.lengthscale.gradient = np.zeros(self.lengthscale.shape)
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index = np.int_(X[:, 1])
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index = index.reshape(index.size,)
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glq, gS, gB = self._gkdiag(X, index)
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if dL_dKdiag.size == X.shape[0]:
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dL_dKdiag = np.reshape(dL_dKdiag, (index.size, 1))
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tmp = dL_dKdiag*glq
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self.lengthscale.gradient = tmp.sum(0)
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tmpB = dL_dKdiag*gB
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tmp = dL_dKdiag*gS
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for d in np.unique(index):
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ind = np.where(index == d)
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self.decay.gradient[d] = tmpB[ind, :].sum()
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self.W.gradient[d, :] = tmp[ind].sum(0)
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def gradients_X(self, dL_dK, X, X2=None):
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#index = np.asarray(X, dtype=np.int)
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#index = index.reshape(index.size,)
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if hasattr(X, 'values'):
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X = X.values
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index = np.int_(np.round(X[:, 1]))
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index = index.reshape(index.size,)
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X_flag = index[0] >= self.output_dim
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#If input_dim == 1, use this
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#gX = np.zeros((X.shape[0], 1))
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#Cheat to allow gradient for input_dim==2
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gX = np.zeros(X.shape)
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if X2 is None: #Kuu or Kmm
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if X_flag:
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index -= self.output_dim
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gX[:, 0] = 2.*(dL_dK*self._gkuu_X(X, index)).sum(0)
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return gX
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else:
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raise NotImplementedError
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else: #Kuf or Kmn
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#index2 = np.asarray(X2, dtype=np.int)
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#index2 = index2.reshape(index2.size,)
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if hasattr(X2, 'values'):
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X2 = X2.values
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index2 = np.int_(np.round(X2[:, 1]))
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index2 = index2.reshape(index2.size,)
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X2_flag = index2[0] >= self.output_dim
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if X_flag and not X2_flag: #gradient of Kuf(Z, X) wrt Z
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index -= self.output_dim
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gX[:, 0] = (dL_dK*self._gkfu_z(X2, index2, X, index).T).sum(1)
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return gX
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else:
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raise NotImplementedError
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#---------------------------------------#
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# Helper functions #
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#---------------------------------------#
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#Evaluation of squared exponential for LFM
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def _Kuu(self, X, index):
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index = index.reshape(index.size,)
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t = X[:, 0].reshape(X.shape[0],)
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lq = self.lengthscale.values.reshape(self.rank,)
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lq2 = lq*lq
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#Covariance matrix initialization
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kuu = np.zeros((t.size, t.size))
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#Assign 1. to diagonal terms
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kuu[np.diag_indices(t.size)] = 1.
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#Upper triangular indices
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indtri1, indtri2 = np.triu_indices(t.size, 1)
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#Block Diagonal indices among Upper Triangular indices
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ind = np.where(index[indtri1] == index[indtri2])
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indr = indtri1[ind]
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indc = indtri2[ind]
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r = t[indr] - t[indc]
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r2 = r*r
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#Calculation of covariance function
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kuu[indr, indc] = np.exp(-r2/lq2[index[indr]])
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#Completion of lower triangular part
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kuu[indc, indr] = kuu[indr, indc]
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return kuu
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#Evaluation of cross-covariance function
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def _Kfu(self, X, index, X2, index2):
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#terms that move along t
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t = X[:, 0].reshape(X.shape[0], 1)
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d = np.unique(index) #Output Indexes
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B = self.decay.values[d]
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S = self.W.values[d, :]
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#Index transformation
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indd = np.arange(self.output_dim)
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indd[d] = np.arange(d.size)
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index = indd[index]
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||||||
|
#Output related variables must be column-wise
|
||||||
|
B = B.reshape(B.size, 1)
|
||||||
|
#Input related variables must be row-wise
|
||||||
|
z = X2[:, 0].reshape(1, X2.shape[0])
|
||||||
|
lq = self.lengthscale.values.reshape((1, self.rank))
|
||||||
|
|
||||||
|
kfu = np.empty((t.size, z.size))
|
||||||
|
|
||||||
|
#DxQ terms
|
||||||
|
c0 = S*((.5*np.sqrt(np.pi))*lq)
|
||||||
|
nu = B*(.5*lq)
|
||||||
|
nu2 = nu**2
|
||||||
|
#1xM terms
|
||||||
|
z_lq = z/lq[0, index2]
|
||||||
|
#NxM terms
|
||||||
|
tz = t-z
|
||||||
|
tz_lq = tz/lq[0, index2]
|
||||||
|
|
||||||
|
# Upsilon Calculations
|
||||||
|
fullind = np.ix_(index, index2)
|
||||||
|
|
||||||
|
upsi = np.exp(nu2[fullind] - B[index]*tz + lnDifErf( -tz_lq + nu[fullind], z_lq+nu[fullind]))
|
||||||
|
upsi[t[:, 0] == 0, :] = 0.
|
||||||
|
#Covariance calculation
|
||||||
|
kfu = c0[fullind]*upsi
|
||||||
|
|
||||||
|
return kfu
|
||||||
|
|
||||||
|
#Gradient of Kuu wrt lengthscale
|
||||||
|
def _gkuu_lq(self, X, index):
|
||||||
|
t = X[:, 0].reshape(X.shape[0],)
|
||||||
|
index = index.reshape(X.shape[0],)
|
||||||
|
lq = self.lengthscale.values.reshape(self.rank,)
|
||||||
|
lq2 = lq*lq
|
||||||
|
#Covariance matrix initialization
|
||||||
|
glq = np.zeros((t.size, t.size))
|
||||||
|
#Upper triangular indices
|
||||||
|
indtri1, indtri2 = np.triu_indices(t.size, 1)
|
||||||
|
#Block Diagonal indices among Upper Triangular indices
|
||||||
|
ind = np.where(index[indtri1] == index[indtri2])
|
||||||
|
indr = indtri1[ind]
|
||||||
|
indc = indtri2[ind]
|
||||||
|
r = t[indr] - t[indc]
|
||||||
|
r2 = r*r
|
||||||
|
r2_lq2 = r2/lq2[index[indr]]
|
||||||
|
#Calculation of covariance function
|
||||||
|
er2_lq2 = np.exp(-r2_lq2)
|
||||||
|
#Gradient wrt lq
|
||||||
|
c = 2.*r2_lq2/lq[index[indr]]
|
||||||
|
glq[indr, indc] = er2_lq2*c
|
||||||
|
#Complete the lower triangular
|
||||||
|
glq[indc, indr] = glq[indr, indc]
|
||||||
|
return glq
|
||||||
|
|
||||||
|
#Be careful this derivative should be transpose it
|
||||||
|
def _gkuu_X(self, X, index): #Diagonal terms are always zero
|
||||||
|
t = X[:, 0].reshape(X.shape[0],)
|
||||||
|
index = index.reshape(index.size,)
|
||||||
|
lq = self.lengthscale.values.reshape(self.rank,)
|
||||||
|
lq2 = lq*lq
|
||||||
|
#Covariance matrix initialization
|
||||||
|
gt = np.zeros((t.size, t.size))
|
||||||
|
#Upper triangular indices
|
||||||
|
indtri1, indtri2 = np.triu_indices(t.size, 1) #Offset of 1 from the diagonal
|
||||||
|
#Block Diagonal indices among Upper Triangular indices
|
||||||
|
ind = np.where(index[indtri1] == index[indtri2])
|
||||||
|
indr = indtri1[ind]
|
||||||
|
indc = indtri2[ind]
|
||||||
|
r = t[indr] - t[indc]
|
||||||
|
r2 = r*r
|
||||||
|
r2_lq2 = r2/(-lq2[index[indr]])
|
||||||
|
#Calculation of covariance function
|
||||||
|
er2_lq2 = np.exp(r2_lq2)
|
||||||
|
#Gradient wrt t
|
||||||
|
c = 2.*r/lq2[index[indr]]
|
||||||
|
gt[indr, indc] = er2_lq2*c
|
||||||
|
#Complete the lower triangular
|
||||||
|
gt[indc, indr] = -gt[indr, indc]
|
||||||
|
return gt
|
||||||
|
|
||||||
|
#Gradients for Diagonal Kff
|
||||||
|
def _gkdiag(self, X, index):
|
||||||
|
index = index.reshape(index.size,)
|
||||||
|
#terms that move along t
|
||||||
|
d = np.unique(index)
|
||||||
|
B = self.decay[d].values
|
||||||
|
S = self.W[d, :].values
|
||||||
|
#Index transformation
|
||||||
|
indd = np.arange(self.output_dim)
|
||||||
|
indd[d] = np.arange(d.size)
|
||||||
|
index = indd[index]
|
||||||
|
#Output related variables must be column-wise
|
||||||
|
t = X[:, 0].reshape(X.shape[0], 1)
|
||||||
|
B = B.reshape(B.size, 1)
|
||||||
|
S2 = S*S
|
||||||
|
|
||||||
|
#Input related variables must be row-wise
|
||||||
|
lq = self.lengthscale.values.reshape(1, self.rank)
|
||||||
|
|
||||||
|
gB = np.empty((t.size,))
|
||||||
|
glq = np.empty((t.size, lq.size))
|
||||||
|
gS = np.empty((t.size, lq.size))
|
||||||
|
|
||||||
|
#Dx1 terms
|
||||||
|
c0 = S2*lq*np.sqrt(np.pi)
|
||||||
|
|
||||||
|
#DxQ terms
|
||||||
|
nu = (.5*lq)*B
|
||||||
|
nu2 = nu*nu
|
||||||
|
|
||||||
|
#Nx1 terms
|
||||||
|
gamt = -B[index]*t
|
||||||
|
egamt = np.exp(gamt)
|
||||||
|
e2gamt = egamt*egamt
|
||||||
|
|
||||||
|
#NxQ terms
|
||||||
|
t_lq = t/lq
|
||||||
|
t2_lq2 = -t_lq*t_lq
|
||||||
|
|
||||||
|
etlq2gamt = np.exp(t2_lq2 + gamt) #NXQ
|
||||||
|
|
||||||
|
##Upsilon calculations
|
||||||
|
#erfnu = erf(nu) #TODO: This can be improved
|
||||||
|
|
||||||
|
upm = np.exp(nu2[index, :] + lnDifErf( nu[index, :], t_lq + nu[index, :]) )
|
||||||
|
upm[t[:, 0] == 0, :] = 0.
|
||||||
|
|
||||||
|
upv = np.exp(nu2[index, :] + 2.*gamt + lnDifErf(-t_lq + nu[index, :], nu[index, :]) ) #egamt*upv
|
||||||
|
upv[t[:, 0] == 0, :] = 0.
|
||||||
|
|
||||||
|
#Gradient wrt S
|
||||||
|
c0_S = (S/B)*(lq*np.sqrt(np.pi))
|
||||||
|
|
||||||
|
gS = c0_S[index]*(upm - upv)
|
||||||
|
|
||||||
|
#For B
|
||||||
|
CB1 = (.5*lq)**2 - .5/B**2 #DXQ
|
||||||
|
lq2_2B = (.5*lq**2)*(S2/B) #DXQ
|
||||||
|
CB2 = 2.*etlq2gamt - e2gamt - 1. #NxQ
|
||||||
|
|
||||||
|
# gradient wrt B NxZ
|
||||||
|
gB = c0[index, :]*(CB1[index, :]*upm - (CB1[index, :] - t/B[index])*upv) + \
|
||||||
|
lq2_2B[index, :]*CB2
|
||||||
|
|
||||||
|
#Gradient wrt lengthscale
|
||||||
|
#DxQ terms
|
||||||
|
c0 = (.5*np.sqrt(np.pi))*(S2/B)*(1.+.5*(lq*B)**2)
|
||||||
|
Clq1 = S2*(lq*.5)
|
||||||
|
glq = c0[index]*(upm - upv) + Clq1[index]*CB2
|
||||||
|
|
||||||
|
return glq, gS, gB
|
||||||
|
|
||||||
|
def _gkfu(self, X, index, Z, index2):
|
||||||
|
index = index.reshape(index.size,)
|
||||||
|
#TODO: reduce memory usage
|
||||||
|
#terms that move along t
|
||||||
|
d = np.unique(index)
|
||||||
|
B = self.decay[d].values
|
||||||
|
S = self.W[d, :].values
|
||||||
|
|
||||||
|
#Index transformation
|
||||||
|
indd = np.arange(self.output_dim)
|
||||||
|
indd[d] = np.arange(d.size)
|
||||||
|
index = indd[index]
|
||||||
|
#t column
|
||||||
|
t = X[:, 0].reshape(X.shape[0], 1)
|
||||||
|
B = B.reshape(B.size, 1)
|
||||||
|
#z row
|
||||||
|
z = Z[:, 0].reshape(1, Z.shape[0])
|
||||||
|
index2 = index2.reshape(index2.size,)
|
||||||
|
lq = self.lengthscale.values.reshape((1, self.rank))
|
||||||
|
|
||||||
|
#kfu = np.empty((t.size, z.size))
|
||||||
|
glq = np.empty((t.size, z.size))
|
||||||
|
gSdq = np.empty((t.size, z.size))
|
||||||
|
gB = np.empty((t.size, z.size))
|
||||||
|
|
||||||
|
#Dx1 terms
|
||||||
|
B_2 = B*.5
|
||||||
|
S_pi = S*(.5*np.sqrt(np.pi))
|
||||||
|
#DxQ terms
|
||||||
|
c0 = S_pi*lq #lq*Sdq*sqrt(pi)
|
||||||
|
nu = B*lq*.5
|
||||||
|
nu2 = nu*nu
|
||||||
|
|
||||||
|
#1xM terms
|
||||||
|
z_lq = z/lq[0, index2]
|
||||||
|
|
||||||
|
#NxM terms
|
||||||
|
tz = t-z
|
||||||
|
tz_lq = tz/lq[0, index2]
|
||||||
|
etz_lq2 = -np.exp(-tz_lq*tz_lq)
|
||||||
|
ez_lq_Bt = np.exp(-z_lq*z_lq -B[index]*t)
|
||||||
|
|
||||||
|
# Upsilon calculations
|
||||||
|
fullind = np.ix_(index, index2)
|
||||||
|
upsi = np.exp(nu2[fullind] - B[index]*tz + lnDifErf( -tz_lq + nu[fullind], z_lq+nu[fullind] ) )
|
||||||
|
upsi[t[:, 0] == 0., :] = 0.
|
||||||
|
|
||||||
|
#Gradient wrt S
|
||||||
|
#DxQ term
|
||||||
|
Sa1 = lq*(.5*np.sqrt(np.pi))
|
||||||
|
|
||||||
|
gSdq = Sa1[0,index2]*upsi
|
||||||
|
|
||||||
|
#Gradient wrt lq
|
||||||
|
la1 = S_pi*(1. + 2.*nu2)
|
||||||
|
Slq = S*lq
|
||||||
|
uplq = etz_lq2*(tz_lq/lq[0, index2] + B_2[index])
|
||||||
|
uplq += ez_lq_Bt*(-z_lq/lq[0, index2] + B_2[index])
|
||||||
|
|
||||||
|
glq = la1[fullind]*upsi
|
||||||
|
glq += Slq[fullind]*uplq
|
||||||
|
|
||||||
|
#Gradient wrt B
|
||||||
|
Slq = Slq*lq
|
||||||
|
nulq = nu*lq
|
||||||
|
upBd = etz_lq2 + ez_lq_Bt
|
||||||
|
gB = c0[fullind]*(nulq[fullind] - tz)*upsi + .5*Slq[fullind]*upBd
|
||||||
|
|
||||||
|
return glq, gSdq, gB
|
||||||
|
|
||||||
|
#TODO: reduce memory usage
|
||||||
|
def _gkfu_z(self, X, index, Z, index2): #Kfu(t,z)
|
||||||
|
index = index.reshape(index.size,)
|
||||||
|
#terms that move along t
|
||||||
|
d = np.unique(index)
|
||||||
|
B = self.decay[d].values
|
||||||
|
S = self.W[d, :].values
|
||||||
|
#Index transformation
|
||||||
|
indd = np.arange(self.output_dim)
|
||||||
|
indd[d] = np.arange(d.size)
|
||||||
|
index = indd[index]
|
||||||
|
|
||||||
|
#t column
|
||||||
|
t = X[:, 0].reshape(X.shape[0], 1)
|
||||||
|
B = B.reshape(B.size, 1)
|
||||||
|
#z row
|
||||||
|
z = Z[:, 0].reshape(1, Z.shape[0])
|
||||||
|
index2 = index2.reshape(index2.size,)
|
||||||
|
lq = self.lengthscale.values.reshape((1, self.rank))
|
||||||
|
|
||||||
|
#kfu = np.empty((t.size, z.size))
|
||||||
|
gz = np.empty((t.size, z.size))
|
||||||
|
|
||||||
|
#Dx1 terms
|
||||||
|
S_pi =S*(.5*np.sqrt(np.pi))
|
||||||
|
#DxQ terms
|
||||||
|
#Slq = S*lq
|
||||||
|
c0 = S_pi*lq #lq*Sdq*sqrt(pi)
|
||||||
|
nu = (.5*lq)*B
|
||||||
|
nu2 = nu*nu
|
||||||
|
|
||||||
|
#1xM terms
|
||||||
|
z_lq = z/lq[0, index2]
|
||||||
|
z_lq2 = -z_lq*z_lq
|
||||||
|
#NxQ terms
|
||||||
|
t_lq = t/lq
|
||||||
|
#NxM terms
|
||||||
|
zt_lq = z_lq - t_lq[:, index2]
|
||||||
|
zt_lq2 = -zt_lq*zt_lq
|
||||||
|
|
||||||
|
# Upsilon calculations
|
||||||
|
fullind = np.ix_(index, index2)
|
||||||
|
z2 = z_lq + nu[fullind]
|
||||||
|
z1 = z2 - t_lq[:, index2]
|
||||||
|
upsi = np.exp(nu2[fullind] - B[index]*(t-z) + lnDifErf(z1,z2) )
|
||||||
|
upsi[t[:, 0] == 0., :] = 0.
|
||||||
|
|
||||||
|
#Gradient wrt z
|
||||||
|
za1 = c0*B
|
||||||
|
#za2 = S_w
|
||||||
|
gz = za1[fullind]*upsi + S[fullind]*( np.exp(z_lq2 - B[index]*t) -np.exp(zt_lq2) )
|
||||||
|
|
||||||
|
return gz
|
||||||
|
|
||||||
|
def lnDifErf(z1,z2):
|
||||||
|
#Z2 is always positive
|
||||||
|
logdiferf = np.zeros(z1.shape)
|
||||||
|
ind = np.where(z1>0.)
|
||||||
|
ind2 = np.where(z1<=0.)
|
||||||
|
if ind[0].shape > 0:
|
||||||
|
z1i = z1[ind]
|
||||||
|
z12 = z1i*z1i
|
||||||
|
z2i = z2[ind]
|
||||||
|
logdiferf[ind] = -z12 + np.log(erfcx(z1i) - erfcx(z2i)*np.exp(z12-z2i**2))
|
||||||
|
|
||||||
|
if ind2[0].shape > 0:
|
||||||
|
z1i = z1[ind2]
|
||||||
|
z2i = z2[ind2]
|
||||||
|
logdiferf[ind2] = np.log(erf(z2i) - erf(z1i))
|
||||||
|
|
||||||
|
return logdiferf
|
||||||
|
|
@ -24,3 +24,5 @@ from .one_vs_all_sparse_classification import OneVsAllSparseClassification
|
||||||
from .dpgplvm import DPBayesianGPLVM
|
from .dpgplvm import DPBayesianGPLVM
|
||||||
|
|
||||||
from .state_space_model import StateSpace
|
from .state_space_model import StateSpace
|
||||||
|
|
||||||
|
from .ibp_lfm import IBPLFM
|
||||||
|
|
|
||||||
535
GPy/models/ibp_lfm.py
Normal file
535
GPy/models/ibp_lfm.py
Normal file
|
|
@ -0,0 +1,535 @@
|
||||||
|
# Copyright (c) 2012, GPy authors (see AUTHORS.txt).
|
||||||
|
# Licensed under the BSD 3-clause license (see LICENSE.txt)
|
||||||
|
|
||||||
|
import numpy as np
|
||||||
|
|
||||||
|
from ..core.sparse_gp_mpi import SparseGP_MPI
|
||||||
|
from .. import kern
|
||||||
|
from ..util.linalg import jitchol, backsub_both_sides, tdot, dtrtrs, dtrtri, pdinv
|
||||||
|
from ..util import diag
|
||||||
|
from ..core.parameterization import Param
|
||||||
|
from ..likelihoods import Gaussian
|
||||||
|
from ..inference.latent_function_inference.var_dtc_parallel import VarDTC_minibatch
|
||||||
|
from ..inference.latent_function_inference.posterior import Posterior
|
||||||
|
from GPy.core.parameterization.variational import VariationalPrior
|
||||||
|
from ..core.parameterization.parameterized import Parameterized
|
||||||
|
from paramz.transformations import Logexp, Logistic, __fixed__
|
||||||
|
log_2_pi = np.log(2*np.pi)
|
||||||
|
|
||||||
|
class VarDTC_minibatch_IBPLFM(VarDTC_minibatch):
|
||||||
|
'''
|
||||||
|
Modifications of VarDTC_minibatch for IBP LFM
|
||||||
|
'''
|
||||||
|
|
||||||
|
def __init__(self, batchsize=None, limit=3, mpi_comm=None):
|
||||||
|
super(VarDTC_minibatch_IBPLFM, self).__init__(batchsize, limit, mpi_comm)
|
||||||
|
|
||||||
|
def gatherPsiStat(self, kern, X, Z, Y, beta, Zp):
|
||||||
|
|
||||||
|
het_noise = beta.size > 1
|
||||||
|
|
||||||
|
assert beta.size == 1
|
||||||
|
|
||||||
|
trYYT = self.get_trYYT(Y)
|
||||||
|
if self.Y_speedup and not het_noise:
|
||||||
|
Y = self.get_YYTfactor(Y)
|
||||||
|
|
||||||
|
num_inducing = Z.shape[0]
|
||||||
|
num_data, output_dim = Y.shape
|
||||||
|
batchsize = num_data if self.batchsize is None else self.batchsize
|
||||||
|
|
||||||
|
psi2_full = np.zeros((num_inducing, num_inducing)) # MxM
|
||||||
|
psi1Y_full = np.zeros((output_dim, num_inducing)) # DxM
|
||||||
|
psi0_full = 0.
|
||||||
|
YRY_full = 0.
|
||||||
|
|
||||||
|
for n_start in range(0, num_data, batchsize):
|
||||||
|
n_end = min(batchsize+n_start, num_data)
|
||||||
|
if batchsize == num_data:
|
||||||
|
Y_slice = Y
|
||||||
|
X_slice = X
|
||||||
|
else:
|
||||||
|
Y_slice = Y[n_start:n_end]
|
||||||
|
X_slice = X[n_start:n_end]
|
||||||
|
|
||||||
|
if het_noise:
|
||||||
|
b = beta[n_start]
|
||||||
|
YRY_full += np.inner(Y_slice, Y_slice)*b
|
||||||
|
else:
|
||||||
|
b = beta
|
||||||
|
|
||||||
|
psi0 = kern.Kdiag(X_slice) #Kff^q
|
||||||
|
psi1 = kern.K(X_slice, Z) #Kfu
|
||||||
|
|
||||||
|
indX = X_slice.values
|
||||||
|
indX = np.int_(np.round(indX[:, -1]))
|
||||||
|
|
||||||
|
Zp = Zp.gamma.values
|
||||||
|
# Extend Zp across columns
|
||||||
|
indZ = Z.values
|
||||||
|
indZ = np.int_(np.round(indZ[:, -1])) - Zp.shape[0]
|
||||||
|
Zpq = Zp[:, indZ]
|
||||||
|
|
||||||
|
for d in np.unique(indX):
|
||||||
|
indd = indX == d
|
||||||
|
psi1d = psi1[indd, :]
|
||||||
|
Zpd = Zp[d, :]
|
||||||
|
Zp2 = Zpd[:, None]*Zpd[None, :] - np.diag(np.power(Zpd, 2)) + np.diag(Zpd)
|
||||||
|
psi2_full += (np.dot(psi1d.T, psi1d)*Zp2[np.ix_(indZ, indZ)])*b #Zp2*Kufd*Kfud*beta
|
||||||
|
|
||||||
|
psi0_full += np.sum(psi0*Zp[indX, :])*b
|
||||||
|
psi1Y_full += np.dot(Y_slice.T, psi1*Zpq[indX, :])*b
|
||||||
|
|
||||||
|
if not het_noise:
|
||||||
|
YRY_full = trYYT*beta
|
||||||
|
|
||||||
|
if self.mpi_comm is not None:
|
||||||
|
from mpi4py import MPI
|
||||||
|
psi0_all = np.array(psi0_full)
|
||||||
|
psi1Y_all = psi1Y_full.copy()
|
||||||
|
psi2_all = psi2_full.copy()
|
||||||
|
YRY_all = np.array(YRY_full)
|
||||||
|
self.mpi_comm.Allreduce([psi0_full, MPI.DOUBLE], [psi0_all, MPI.DOUBLE])
|
||||||
|
self.mpi_comm.Allreduce([psi1Y_full, MPI.DOUBLE], [psi1Y_all, MPI.DOUBLE])
|
||||||
|
self.mpi_comm.Allreduce([psi2_full, MPI.DOUBLE], [psi2_all, MPI.DOUBLE])
|
||||||
|
self.mpi_comm.Allreduce([YRY_full, MPI.DOUBLE], [YRY_all, MPI.DOUBLE])
|
||||||
|
return psi0_all, psi1Y_all, psi2_all, YRY_all
|
||||||
|
|
||||||
|
return psi0_full, psi1Y_full, psi2_full, YRY_full
|
||||||
|
|
||||||
|
|
||||||
|
def inference_likelihood(self, kern, X, Z, likelihood, Y, Zp):
|
||||||
|
"""
|
||||||
|
The first phase of inference:
|
||||||
|
Compute: log-likelihood, dL_dKmm
|
||||||
|
|
||||||
|
Cached intermediate results: Kmm, KmmInv,
|
||||||
|
"""
|
||||||
|
|
||||||
|
num_data, output_dim = Y.shape
|
||||||
|
input_dim = Z.shape[0]
|
||||||
|
if self.mpi_comm is not None:
|
||||||
|
from mpi4py import MPI
|
||||||
|
num_data_all = np.array(num_data,dtype=np.int32)
|
||||||
|
self.mpi_comm.Allreduce([np.int32(num_data), MPI.INT], [num_data_all, MPI.INT])
|
||||||
|
num_data = num_data_all
|
||||||
|
|
||||||
|
#see whether we've got a different noise variance for each datum
|
||||||
|
beta = 1./np.fmax(likelihood.variance, 1e-6)
|
||||||
|
het_noise = beta.size > 1
|
||||||
|
if het_noise:
|
||||||
|
self.batchsize = 1
|
||||||
|
|
||||||
|
psi0_full, psi1Y_full, psi2_full, YRY_full = self.gatherPsiStat(kern, X, Z, Y, beta, Zp)
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute Common Components
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
Kmm = kern.K(Z).copy()
|
||||||
|
diag.add(Kmm, self.const_jitter)
|
||||||
|
if not np.isfinite(Kmm).all():
|
||||||
|
print(Kmm)
|
||||||
|
Lm = jitchol(Kmm)
|
||||||
|
LmInv = dtrtri(Lm)
|
||||||
|
|
||||||
|
LmInvPsi2LmInvT = np.dot(LmInv, np.dot(psi2_full, LmInv.T))
|
||||||
|
Lambda = np.eye(Kmm.shape[0])+LmInvPsi2LmInvT
|
||||||
|
LL = jitchol(Lambda)
|
||||||
|
LLInv = dtrtri(LL)
|
||||||
|
logdet_L = 2.*np.sum(np.log(np.diag(LL)))
|
||||||
|
LmLLInv = np.dot(LLInv, LmInv)
|
||||||
|
|
||||||
|
b = np.dot(psi1Y_full, LmLLInv.T)
|
||||||
|
bbt = np.sum(np.square(b))
|
||||||
|
v = np.dot(b, LmLLInv).T
|
||||||
|
LLinvPsi1TYYTPsi1LLinvT = tdot(b.T)
|
||||||
|
|
||||||
|
tmp = -np.dot(np.dot(LLInv.T, LLinvPsi1TYYTPsi1LLinvT + output_dim*np.eye(input_dim)), LLInv)
|
||||||
|
dL_dpsi2R = .5*np.dot(np.dot(LmInv.T, tmp + output_dim*np.eye(input_dim)), LmInv)
|
||||||
|
|
||||||
|
# Cache intermediate results
|
||||||
|
self.midRes['dL_dpsi2R'] = dL_dpsi2R
|
||||||
|
self.midRes['v'] = v
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute log-likelihood
|
||||||
|
#======================================================================
|
||||||
|
if het_noise:
|
||||||
|
logL_R = -np.sum(np.log(beta))
|
||||||
|
else:
|
||||||
|
logL_R = -num_data*np.log(beta)
|
||||||
|
logL = -(output_dim*(num_data*log_2_pi+logL_R+psi0_full-np.trace(LmInvPsi2LmInvT))+YRY_full-bbt)*.5 - output_dim*logdet_L*.5
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute dL_dKmm
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
dL_dKmm = dL_dpsi2R - .5*output_dim*np.dot(np.dot(LmInv.T, LmInvPsi2LmInvT), LmInv)
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute the Posterior distribution of inducing points p(u|Y)
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
if not self.Y_speedup or het_noise:
|
||||||
|
wd_inv = backsub_both_sides(Lm, np.eye(input_dim)- backsub_both_sides(LL, np.identity(input_dim), transpose='left'), transpose='left')
|
||||||
|
post = Posterior(woodbury_inv=wd_inv, woodbury_vector=v, K=Kmm, mean=None, cov=None, K_chol=Lm)
|
||||||
|
else:
|
||||||
|
post = None
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute dL_dthetaL for uncertian input and non-heter noise
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
if not het_noise:
|
||||||
|
dL_dthetaL = .5*(YRY_full*beta + beta*output_dim*psi0_full - num_data*output_dim*beta) - beta*(dL_dpsi2R*psi2_full).sum() - beta*(v.T*psi1Y_full).sum()
|
||||||
|
self.midRes['dL_dthetaL'] = dL_dthetaL
|
||||||
|
|
||||||
|
return logL, dL_dKmm, post
|
||||||
|
|
||||||
|
def inference_minibatch(self, kern, X, Z, likelihood, Y, Zp):
|
||||||
|
"""
|
||||||
|
The second phase of inference: Computing the derivatives over a minibatch of Y
|
||||||
|
Compute: dL_dpsi0, dL_dpsi1, dL_dpsi2, dL_dthetaL
|
||||||
|
return a flag showing whether it reached the end of Y (isEnd)
|
||||||
|
"""
|
||||||
|
|
||||||
|
num_data, output_dim = Y.shape
|
||||||
|
|
||||||
|
#see whether we've got a different noise variance for each datum
|
||||||
|
beta = 1./np.fmax(likelihood.variance, 1e-6)
|
||||||
|
het_noise = beta.size > 1
|
||||||
|
# VVT_factor is a matrix such that tdot(VVT_factor) = VVT...this is for efficiency!
|
||||||
|
#self.YYTfactor = beta*self.get_YYTfactor(Y)
|
||||||
|
if self.Y_speedup and not het_noise:
|
||||||
|
YYT_factor = self.get_YYTfactor(Y)
|
||||||
|
else:
|
||||||
|
YYT_factor = Y
|
||||||
|
|
||||||
|
n_start = self.batch_pos
|
||||||
|
batchsize = num_data if self.batchsize is None else self.batchsize
|
||||||
|
n_end = min(batchsize+n_start, num_data)
|
||||||
|
if n_end == num_data:
|
||||||
|
isEnd = True
|
||||||
|
self.batch_pos = 0
|
||||||
|
else:
|
||||||
|
isEnd = False
|
||||||
|
self.batch_pos = n_end
|
||||||
|
|
||||||
|
if batchsize == num_data:
|
||||||
|
Y_slice = YYT_factor
|
||||||
|
X_slice = X
|
||||||
|
else:
|
||||||
|
Y_slice = YYT_factor[n_start:n_end]
|
||||||
|
X_slice = X[n_start:n_end]
|
||||||
|
|
||||||
|
psi0 = kern.Kdiag(X_slice) #Kffdiag
|
||||||
|
psi1 = kern.K(X_slice, Z) #Kfu
|
||||||
|
betapsi1 = np.einsum('n,nm->nm', beta, psi1)
|
||||||
|
|
||||||
|
X_slice = X_slice.values
|
||||||
|
Z = Z.values
|
||||||
|
|
||||||
|
Zp = Zp.gamma.values
|
||||||
|
indX = np.int_(X_slice[:, -1])
|
||||||
|
indZ = np.int_(Z[:, -1]) - Zp.shape[0]
|
||||||
|
|
||||||
|
betaY = beta*Y_slice
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Load Intermediate Results
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
dL_dpsi2R = self.midRes['dL_dpsi2R']
|
||||||
|
v = self.midRes['v']
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute dL_dpsi
|
||||||
|
#======================================================================
|
||||||
|
|
||||||
|
dL_dpsi0 = -.5*output_dim*(beta * Zp[indX, :]) #XxQ #TODO: Check this gradient
|
||||||
|
|
||||||
|
dL_dpsi1 = np.dot(betaY, v.T)
|
||||||
|
dL_dEZp = psi1*dL_dpsi1
|
||||||
|
dL_dpsi1 = Zp[np.ix_(indX, indZ)]*dL_dpsi1
|
||||||
|
dL_dgamma = np.zeros(Zp.shape)
|
||||||
|
for d in np.unique(indX):
|
||||||
|
indd = indX == d
|
||||||
|
betapsi1d = betapsi1[indd, :]
|
||||||
|
psi1d = psi1[indd, :]
|
||||||
|
Zpd = Zp[d, :]
|
||||||
|
Zp2 = Zpd[:, None]*Zpd[None, :] - np.diag(np.power(Zpd, 2)) + np.diag(Zpd)
|
||||||
|
dL_dpsi1[indd, :] += np.dot(betapsi1d, Zp2[np.ix_(indZ, indZ)] * dL_dpsi2R)*2.
|
||||||
|
|
||||||
|
dL_EZp2 = dL_dpsi2R * (np.dot(psi1d.T, psi1d) * beta)*2. # Zpd*Kufd*Kfud*beta
|
||||||
|
#Gradient of Likelihood wrt gamma is calculated here
|
||||||
|
EZ = Zp[d, indZ]
|
||||||
|
for q in range(Zp.shape[1]):
|
||||||
|
EZt = EZ.copy()
|
||||||
|
indq = indZ == q
|
||||||
|
EZt[indq] = .5
|
||||||
|
dL_dgamma[d, q] = np.sum(dL_dEZp[np.ix_(indd, indq)]) + np.sum(dL_EZp2[:, indq]*EZt[:, None]) -\
|
||||||
|
.5*beta*(np.sum(psi0[indd, q]))
|
||||||
|
|
||||||
|
#======================================================================
|
||||||
|
# Compute dL_dthetaL
|
||||||
|
#======================================================================
|
||||||
|
if isEnd:
|
||||||
|
dL_dthetaL = self.midRes['dL_dthetaL']
|
||||||
|
else:
|
||||||
|
dL_dthetaL = 0.
|
||||||
|
|
||||||
|
grad_dict = {'dL_dKdiag': dL_dpsi0,
|
||||||
|
'dL_dKnm': dL_dpsi1,
|
||||||
|
'dL_dthetaL': dL_dthetaL,
|
||||||
|
'dL_dgamma': dL_dgamma}
|
||||||
|
|
||||||
|
return isEnd, (n_start, n_end), grad_dict
|
||||||
|
|
||||||
|
|
||||||
|
def update_gradients(model, mpi_comm=None):
|
||||||
|
if mpi_comm is None:
|
||||||
|
Y = model.Y
|
||||||
|
X = model.X
|
||||||
|
else:
|
||||||
|
Y = model.Y_local
|
||||||
|
X = model.X[model.N_range[0]:model.N_range[1]]
|
||||||
|
|
||||||
|
model._log_marginal_likelihood, dL_dKmm, model.posterior = model.inference_method.inference_likelihood(model.kern, X, model.Z, model.likelihood, Y, model.Zp)
|
||||||
|
|
||||||
|
het_noise = model.likelihood.variance.size > 1
|
||||||
|
|
||||||
|
if het_noise:
|
||||||
|
dL_dthetaL = np.empty((model.Y.shape[0],))
|
||||||
|
else:
|
||||||
|
dL_dthetaL = np.float64(0.)
|
||||||
|
|
||||||
|
kern_grad = model.kern.gradient.copy()
|
||||||
|
kern_grad[:] = 0.
|
||||||
|
model.Z.gradient = 0.
|
||||||
|
gamma_gradient = model.Zp.gamma.copy()
|
||||||
|
gamma_gradient[:] = 0.
|
||||||
|
|
||||||
|
isEnd = False
|
||||||
|
while not isEnd:
|
||||||
|
isEnd, n_range, grad_dict = model.inference_method.inference_minibatch(model.kern, X, model.Z, model.likelihood, Y, model.Zp)
|
||||||
|
|
||||||
|
if (n_range[1]-n_range[0]) == X.shape[0]:
|
||||||
|
X_slice = X
|
||||||
|
elif mpi_comm is None:
|
||||||
|
X_slice = model.X[n_range[0]:n_range[1]]
|
||||||
|
else:
|
||||||
|
X_slice = model.X[model.N_range[0]+n_range[0]:model.N_range[0]+n_range[1]]
|
||||||
|
|
||||||
|
#gradients w.r.t. kernel
|
||||||
|
model.kern.update_gradients_diag(grad_dict['dL_dKdiag'], X_slice)
|
||||||
|
kern_grad += model.kern.gradient
|
||||||
|
|
||||||
|
model.kern.update_gradients_full(grad_dict['dL_dKnm'], X_slice, model.Z)
|
||||||
|
kern_grad += model.kern.gradient
|
||||||
|
|
||||||
|
#gradients w.r.t. Z
|
||||||
|
model.Z.gradient += model.kern.gradients_X(grad_dict['dL_dKnm'].T, model.Z, X_slice)
|
||||||
|
|
||||||
|
#gradients w.r.t. posterior parameters of Zp
|
||||||
|
gamma_gradient += grad_dict['dL_dgamma']
|
||||||
|
|
||||||
|
if het_noise:
|
||||||
|
dL_dthetaL[n_range[0]:n_range[1]] = grad_dict['dL_dthetaL']
|
||||||
|
else:
|
||||||
|
dL_dthetaL += grad_dict['dL_dthetaL']
|
||||||
|
|
||||||
|
# Gather the gradients from multiple MPI nodes
|
||||||
|
if mpi_comm is not None:
|
||||||
|
from mpi4py import MPI
|
||||||
|
if het_noise:
|
||||||
|
raise "het_noise not implemented!"
|
||||||
|
kern_grad_all = kern_grad.copy()
|
||||||
|
Z_grad_all = model.Z.gradient.copy()
|
||||||
|
gamma_grad_all = gamma_gradient.copy()
|
||||||
|
mpi_comm.Allreduce([kern_grad, MPI.DOUBLE], [kern_grad_all, MPI.DOUBLE])
|
||||||
|
mpi_comm.Allreduce([model.Z.gradient, MPI.DOUBLE], [Z_grad_all, MPI.DOUBLE])
|
||||||
|
mpi_comm.Allreduce([gamma_gradient, MPI.DOUBLE], [gamma_grad_all, MPI.DOUBLE])
|
||||||
|
kern_grad = kern_grad_all
|
||||||
|
model.Z.gradient = Z_grad_all
|
||||||
|
gamma_gradient = gamma_grad_all
|
||||||
|
|
||||||
|
#gradients w.r.t. kernel
|
||||||
|
model.kern.update_gradients_full(dL_dKmm, model.Z, None)
|
||||||
|
model.kern.gradient += kern_grad
|
||||||
|
|
||||||
|
#gradients w.r.t. Z
|
||||||
|
model.Z.gradient += model.kern.gradients_X(dL_dKmm, model.Z)
|
||||||
|
|
||||||
|
#gradient w.r.t. gamma
|
||||||
|
model.Zp.gamma.gradient = gamma_gradient
|
||||||
|
|
||||||
|
# Update Log-likelihood
|
||||||
|
KL_div = model.variational_prior.KL_divergence(model.Zp)
|
||||||
|
# update for the KL divergence
|
||||||
|
model.variational_prior.update_gradients_KL(model.Zp)
|
||||||
|
|
||||||
|
model._log_marginal_likelihood += KL_div
|
||||||
|
|
||||||
|
# dL_dthetaL
|
||||||
|
model.likelihood.update_gradients(dL_dthetaL)
|
||||||
|
|
||||||
|
|
||||||
|
class IBPPosterior(Parameterized):
|
||||||
|
'''
|
||||||
|
The IBP distribution for variational approximations.
|
||||||
|
'''
|
||||||
|
def __init__(self, binary_prob, tau=None, name='Sensitivity space', *a, **kw):
|
||||||
|
"""
|
||||||
|
binary_prob : the probability of including a latent function over an output.
|
||||||
|
"""
|
||||||
|
super(IBPPosterior, self).__init__(name=name, *a, **kw)
|
||||||
|
self.gamma = Param("binary_prob", binary_prob, Logistic(1e-10, 1. - 1e-10))
|
||||||
|
self.link_parameter(self.gamma)
|
||||||
|
if tau is not None:
|
||||||
|
assert tau.size == 2*self.gamma_.shape[1]
|
||||||
|
self.tau = Param("tau", tau, Logexp())
|
||||||
|
else:
|
||||||
|
self.tau = Param("tau", np.ones((2, self.gamma.shape[1])), Logexp())
|
||||||
|
self.link_parameter(self.tau)
|
||||||
|
|
||||||
|
def set_gradients(self, grad):
|
||||||
|
self.gamma.gradient, self.tau.gradient = grad
|
||||||
|
|
||||||
|
def __getitem__(self, s):
|
||||||
|
pass
|
||||||
|
# if isinstance(s, (int, slice, tuple, list, np.ndarray)):
|
||||||
|
# import copy
|
||||||
|
# n = self.__new__(self.__class__, self.name)
|
||||||
|
# dc = self.__dict__.copy()
|
||||||
|
# dc['binary_prob'] = self.binary_prob[s]
|
||||||
|
# dc['tau'] = self.tau
|
||||||
|
# dc['parameters'] = copy.copy(self.parameters)
|
||||||
|
# n.__dict__.update(dc)
|
||||||
|
# n.parameters[dc['binary_prob']._parent_index_] = dc['binary_prob']
|
||||||
|
# n.parameters[dc['tau']._parent_index_] = dc['tau']
|
||||||
|
# n._gradient_array_ = None
|
||||||
|
# oversize = self.size - self.gamma.size - self.tau.size
|
||||||
|
# n.size = n.gamma.size + n.tau.size + oversize
|
||||||
|
# return n
|
||||||
|
# else:
|
||||||
|
# return super(IBPPosterior, self).__getitem__(s)
|
||||||
|
|
||||||
|
class IBPPrior(VariationalPrior):
|
||||||
|
def __init__(self, rank, alpha=2., name='IBPPrior', **kw):
|
||||||
|
super(IBPPrior, self).__init__(name=name, **kw)
|
||||||
|
from paramz.transformations import __fixed__
|
||||||
|
self.rank = rank
|
||||||
|
self.alpha = Param('alpha', alpha, __fixed__)
|
||||||
|
self.link_parameter(self.alpha)
|
||||||
|
|
||||||
|
def KL_divergence(self, variational_posterior):
|
||||||
|
from scipy.special import gamma, psi
|
||||||
|
|
||||||
|
eta, tau = variational_posterior.gamma.values, variational_posterior.tau.values
|
||||||
|
|
||||||
|
sum_eta = np.sum(eta, axis=0) #sum_d gamma(d,q)
|
||||||
|
D_seta = eta.shape[0] - sum_eta
|
||||||
|
ad = self.alpha/eta.shape[1]
|
||||||
|
psitau1 = psi(tau[0, :])
|
||||||
|
psitau2 = psi(tau[1, :])
|
||||||
|
sumtau = np.sum(tau, axis=0)
|
||||||
|
psitau = psi(sumtau)
|
||||||
|
# E[log p(z)]
|
||||||
|
part1 = np.sum(sum_eta*psitau1 + D_seta*psitau2 - eta.shape[0]*psitau)
|
||||||
|
|
||||||
|
# E[log p(pi)]
|
||||||
|
part1 += (ad - 1.)*np.sum(psitau1 - psitau) + eta.shape[1]*np.log(ad)
|
||||||
|
|
||||||
|
#H(z)
|
||||||
|
part2 = np.sum(-(1.-eta)*np.log(1.-eta) - eta*np.log(eta))
|
||||||
|
#H(pi)
|
||||||
|
part2 += np.sum(np.log(gamma(tau[0, :])*gamma(tau[1, :])/gamma(sumtau))-(tau[0, :]-1.)*psitau1-(tau[1, :]-1.)*psitau2\
|
||||||
|
+ (sumtau-2.)*psitau)
|
||||||
|
|
||||||
|
return part1+part2
|
||||||
|
|
||||||
|
def update_gradients_KL(self, variational_posterior):
|
||||||
|
eta, tau = variational_posterior.gamma.values, variational_posterior.tau.values
|
||||||
|
|
||||||
|
from scipy.special import psi, polygamma
|
||||||
|
dgamma = np.log(1. - eta) - np.log(eta) + psi(tau[0, :]) - psi(tau[1, :])
|
||||||
|
variational_posterior.gamma.gradient += dgamma
|
||||||
|
ad = self.alpha/self.rank
|
||||||
|
sumeta = np.sum(eta, axis=0)
|
||||||
|
sumtau = np.sum(tau, axis=0)
|
||||||
|
common = (-eta.shape[0] - (ad - 1.) + (sumtau - 2.))*polygamma(1, sumtau)
|
||||||
|
variational_posterior.tau.gradient[0, :] = (sumeta + ad - tau[0, :])*polygamma(1, tau[0, :]) + common
|
||||||
|
variational_posterior.tau.gradient[1, :] = ((eta.shape[0] - sumeta) - (tau[1, :] - 1.))*polygamma(1, tau[1, :])\
|
||||||
|
+ common
|
||||||
|
|
||||||
|
|
||||||
|
class IBPLFM(SparseGP_MPI):
|
||||||
|
"""
|
||||||
|
Indian Buffet Process for Latent Force Models
|
||||||
|
|
||||||
|
:param Y: observed data (np.ndarray) or GPy.likelihood
|
||||||
|
:type Y: np.ndarray| GPy.likelihood instance
|
||||||
|
:param X: input data (np.ndarray) [X:values, X:index], index refers to the number of the output
|
||||||
|
:type X: np.ndarray
|
||||||
|
:param input_dim: latent dimensionality
|
||||||
|
:type input_dim: int
|
||||||
|
: param rank: number of latent functions
|
||||||
|
|
||||||
|
"""
|
||||||
|
def __init__(self, X, Y, input_dim=2, output_dim=1, rank=1, Gamma=None, num_inducing=10,
|
||||||
|
Z=None, kernel=None, inference_method=None, likelihood=None, name='IBP for LFM', alpha=2., beta=2., connM=None, tau=None, mpi_comm=None, normalizer=False, variational_prior=None,**kwargs):
|
||||||
|
|
||||||
|
if kernel is None:
|
||||||
|
kernel = kern.EQ_ODE2(input_dim, output_dim, rank)
|
||||||
|
|
||||||
|
if Gamma is None:
|
||||||
|
gamma = np.empty((output_dim, rank)) # The posterior probabilities of the binary variable in the variational approximation
|
||||||
|
gamma[:] = 0.5 + 0.1 * np.random.randn(output_dim, rank)
|
||||||
|
gamma[gamma>1.-1e-9] = 1.-1e-9
|
||||||
|
gamma[gamma<1e-9] = 1e-9
|
||||||
|
else:
|
||||||
|
gamma = Gamma.copy()
|
||||||
|
|
||||||
|
#TODO: create a vector of inducing points
|
||||||
|
if Z is None:
|
||||||
|
Z = np.random.permutation(X.copy())[:num_inducing]
|
||||||
|
assert Z.shape[1] == X.shape[1]
|
||||||
|
|
||||||
|
if likelihood is None:
|
||||||
|
likelihood = Gaussian()
|
||||||
|
|
||||||
|
if inference_method is None:
|
||||||
|
inference_method = VarDTC_minibatch_IBPLFM(mpi_comm=mpi_comm)
|
||||||
|
|
||||||
|
#Definition of variational terms
|
||||||
|
self.variational_prior = IBPPrior(rank=rank, alpha=alpha) if variational_prior is None else variational_prior
|
||||||
|
self.Zp = IBPPosterior(gamma, tau=tau)
|
||||||
|
|
||||||
|
super(IBPLFM, self).__init__(X, Y, Z, kernel, likelihood, variational_prior=self.variational_prior, inference_method=inference_method, name=name, mpi_comm=mpi_comm, normalizer=normalizer, **kwargs)
|
||||||
|
self.link_parameter(self.Zp, index=0)
|
||||||
|
|
||||||
|
def set_Zp_gradients(self, Zp, Zp_grad):
|
||||||
|
"""Set the gradients of the posterior distribution of Zp in its specific form."""
|
||||||
|
Zp.gamma.gradient = Zp_grad
|
||||||
|
|
||||||
|
def get_Zp_gradients(self, Zp):
|
||||||
|
"""Get the gradients of the posterior distribution of Zp in its specific form."""
|
||||||
|
return Zp.gamma.gradient
|
||||||
|
|
||||||
|
def _propogate_Zp_val(self):
|
||||||
|
pass
|
||||||
|
|
||||||
|
def parameters_changed(self):
|
||||||
|
#super(IBPLFM,self).parameters_changed()
|
||||||
|
if isinstance(self.inference_method, VarDTC_minibatch_IBPLFM):
|
||||||
|
update_gradients(self, mpi_comm=self.mpi_comm)
|
||||||
|
return
|
||||||
|
|
||||||
|
# Add the KL divergence term
|
||||||
|
self._log_marginal_likelihood += self.variational_prior.KL_divergence(self.Zp)
|
||||||
|
#TODO Change the following according to this variational distribution
|
||||||
|
#self.Zp.gamma.gradient = self.
|
||||||
|
|
||||||
|
# update for the KL divergence
|
||||||
|
self.variational_prior.update_gradients_KL(self.Zp)
|
||||||
Loading…
Add table
Add a link
Reference in a new issue