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7 changed files with 164 additions and 143 deletions
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@ -24,13 +24,18 @@ class GP(model):
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:type normalize_Y: False|True
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:param Xslices: how the X,Y data co-vary in the kernel (i.e. which "outputs" they correspond to). See (link:slicing)
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:rtype: model object
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:parm likelihood: a GPy likelihood, defaults to gaussian
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:param epsilon_ep: convergence criterion for the Expectation Propagation algorithm, defaults to 0.1
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:param powerep: power-EP parameters [$\eta$,$\delta$], defaults to [1.,1.]
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:type powerep: list
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.. Note:: Multiple independent outputs are allowed using columns of Y
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"""
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#TODO: make beta parameter explicit
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#TODO: when using EP, predict needs to return 3 values otherwise it just needs 2. At the moment predict returns 3 values in any case.
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def __init__(self,X,Y=None,kernel=None,normalize_X=False,normalize_Y=False, Xslices=None,likelihood=None,epsilon_ep=1e-3,epsion_em=.1,power_ep=[1.,1.]):
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#TODO: make beta parameter explicit
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def __init__(self,X,Y=None,kernel=None,normalize_X=False,normalize_Y=False, Xslices=None,likelihood=None,epsilon_ep=1e-3,epsilon_em=.1,power_ep=[1.,1.]):
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# parse arguments
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self.Xslices = Xslices
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@ -54,7 +59,6 @@ class GP(model):
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self._Xmean = np.zeros((1,self.X.shape[1]))
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self._Xstd = np.ones((1,self.X.shape[1]))
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# Y - likelihood related variables, these might change whether using EP or not
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if likelihood is None:
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assert Y is not None, "Either Y or likelihood must be defined"
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@ -68,8 +72,9 @@ class GP(model):
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if isinstance(self.likelihood,gaussian):
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self.EP = False
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self.Y = Y
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self.beta = 100.#FIXME beta should be an explicit parameter for this model
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#here's some simple normalisation
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# Here's some simple normalisation
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if normalize_Y:
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self._Ymean = Y.mean(0)[None,:]
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self._Ystd = Y.std(0)[None,:]
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@ -89,50 +94,43 @@ class GP(model):
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self.EP = True
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self.eta,self.delta = power_ep
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self.epsilon_ep = epsilon_ep
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self.tau_tilde = np.ones([self.N,self.D])
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self.v_tilde = np.zeros([self.N,self.D])
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self.tau_ = np.ones([self.N,self.D])
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self.v_ = np.zeros([self.N,self.D])
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self.Z_hat = np.ones([self.N,self.D])
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self.beta = np.ones([self.N,self.D])
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self.Z_ep = 0
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self.Y = None
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self._Ymean = np.zeros((1,self.D))
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self._Ystd = np.ones((1,self.D))
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model.__init__(self)
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def _set_params(self,p):
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# TODO: remove beta when using EP
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# TODO: add beta when not using EP
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self.kern._set_params_transformed(p)
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if not self.EP:
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self.K = self.kern.K(self.X,slices1=self.Xslices)
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self.Ki, self.L, self.Li, self.K_logdet = pdinv(self.K)
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else:
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self._ep_covariance()
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self.K = self.kern.K(self.X,slices1=self.Xslices)
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if self.EP:
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self.K += np.diag(1./self.beta.flatten())
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#else:
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# self.beta = p[-1]
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self.Ki, self.L, self.Li, self.K_logdet = pdinv(self.K)
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def _get_params(self):
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# TODO: remove beta when using EP
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# TODO: add beta when not using EP
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return self.kern._get_params_transformed()
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def _get_param_names(self):
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# TODO: remove beta when using EP
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# TODO: add beta when not using EP
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return self.kern._get_param_names_transformed()
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def approximate_likelihood(self):
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assert not isinstance(self.likelihood, gaussian), "EP is only available for non-gaussian likelihoods"
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self.ep_approx = Full(self.K,self.likelihood,epsilon=self.epsilon_ep,power_ep=[self.eta,self.delta])
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self.tau_tilde, self.v_tilde, self.Z_hat, self.tau_, self.v_=self.ep_approx.fit_EP()
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# Y: EP likelihood is defined as a regression model for mu_tilde
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self.Y = self.v_tilde/self.tau_tilde
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self._Ymean = np.zeros((1,self.Y.shape[1]))
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self._Ystd = np.ones((1,self.Y.shape[1]))
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self.ep_approx = Full(self.K,self.likelihood,epsilon = self.epsilon_ep,power_ep=[self.eta,self.delta])
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self.beta, self.Y, self.Z_ep = self.ep_approx.fit_EP()
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if self.D > self.N:
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# then it's more efficient to store YYT
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self.YYT = np.dot(self.Y, self.Y.T)
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else:
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self.YYT = None
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self.mu_ = self.v_/self.tau_
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self._ep_covariance()
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def _ep_covariance(self):
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# Kernel plus noise variance term
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self.K = self.kern.K(self.X,slices1=self.Xslices) + np.diag(1./self.tau_tilde.flatten())
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self.K = self.kern.K(self.X,slices1=self.Xslices) + np.diag(1./self.beta.flatten())
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self.Ki, self.L, self.Li, self.K_logdet = pdinv(self.K)
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def _model_fit_term(self):
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@ -144,25 +142,16 @@ class GP(model):
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else:
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return -0.5*np.sum(np.multiply(self.Ki, self.YYT))
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def _normalization_term(self):
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"""
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Computes the marginal likelihood normalization constants
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"""
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sigma_sum = 1./self.tau_ + 1./self.tau_tilde
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mu_diff_2 = (self.mu_ - self.Y)**2
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penalty_term = np.sum(np.log(self.Z_hat))
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return penalty_term + 0.5*np.sum(np.log(sigma_sum)) + 0.5*np.sum(mu_diff_2/sigma_sum)
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def log_likelihood(self):
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"""
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The log marginal likelihood for an EP model can be written as the log likelihood of
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a regression model for a new variable Y* = v_tilde/tau_tilde, with a covariance
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matrix K* = K + diag(1./tau_tilde) plus a normalization term.
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"""
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complexity_term = -0.5*self.D*self.Kplus_logdet
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normalization_term = 0 if self.EP == False else self.normalization_term()
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return complexity_term + normalization_term + self._model_fit_term()
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L = -0.5*selff.D*self.K_logdet + self.model_fit_term()
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if self.EP:
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L += self.normalisation_term()
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return L
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def log_likelihood(self):
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complexity_term = -0.5*self.N*self.D*np.log(2.*np.pi) - 0.5*self.D*self.K_logdet
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@ -174,7 +163,6 @@ class GP(model):
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dL_dK = 0.5*(np.dot(alpha,alpha.T)-self.D*self.Ki)
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else:
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dL_dK = 0.5*(mdot(self.Ki, self.YYT, self.Ki) - self.D*self.Ki)
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return dL_dK
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def _log_likelihood_gradients(self):
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@ -267,7 +255,7 @@ class GP(model):
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Y = self.Y[which_data,:]
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Xorig = X*self._Xstd + self._Xmean
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Yorig = Y*self._Ystd + self._Ymean if not self.EP else self.likelihood.Y
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Yorig = Y*self._Ystd + self._Ymean #NOTE For EP this is v_tilde/beta
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if plot_limits is None:
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xmin,xmax = Xorig.min(0),Xorig.max(0)
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@ -282,19 +270,17 @@ class GP(model):
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m,v,phi = self.predict(Xnew,slices=which_functions)
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if self.EP:
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pb.subplot(211)
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gpplot(Xnew,m,v)
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if samples:
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s = np.random.multivariate_normal(m.flatten(),v,samples)
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pb.plot(Xnew.flatten(),s.T, alpha = 0.4, c='#3465a4', linewidth = 0.8)
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if not self.EP:
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pb.plot(Xorig,Yorig,'kx',mew=1.5)
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pb.xlim(xmin,xmax)
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else:
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pb.xlim(xmin,xmax)
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if samples: #NOTE why don't we put samples as a parameter of gpplot
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s = np.random.multivariate_normal(m.flatten(),np.diag(v),samples)
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pb.plot(Xnew.flatten(),s.T, alpha = 0.4, c='#3465a4', linewidth = 0.8)
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pb.plot(Xorig,Yorig,'kx',mew=1.5)
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pb.xlim(xmin,xmax)
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if self.EP:
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pb.subplot(212)
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self.likelihood.plot1Db(self.X,Xnew,phi)
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self.likelihood.plot(Xnew,phi,self.X)
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pb.xlim(xmin,xmax)
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elif self.X.shape[1]==2:
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