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https://github.com/SheffieldML/GPy.git
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275 lines
12 KiB
Python
275 lines
12 KiB
Python
import numpy as np
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from .. import kern
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from ..util.plot import gpplot, Tango, x_frame1D, x_frame2D
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import pylab as pb
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from GPy.core.model import Model
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import warnings
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from ..likelihoods import Gaussian, Gaussian_Mixed_Noise
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class GPBase(Model):
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"""
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Gaussian process base model for holding shared behaviour between
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sparse_GP and GP models, and potentially other models in the future.
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Here we define some functions that are use
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"""
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def __init__(self, X, likelihood, kernel, normalize_X=False):
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if len(X.shape)==1:
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X = X.reshape(-1,1)
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warning.warn("One dimension output (N,) being reshaped to (N,1)")
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self.X = X
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assert len(self.X.shape) == 2, "too many dimensions for X input"
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self.num_data, self.input_dim = self.X.shape
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assert isinstance(kernel, kern.kern)
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self.kern = kernel
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self.likelihood = likelihood
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assert self.X.shape[0] == self.likelihood.data.shape[0]
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self.num_data, self.output_dim = self.likelihood.data.shape
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if normalize_X:
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self._Xoffset = X.mean(0)[None, :]
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self._Xscale = X.std(0)[None, :]
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self.X = (X.copy() - self._Xoffset) / self._Xscale
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else:
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self._Xoffset = np.zeros((1, self.input_dim))
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self._Xscale = np.ones((1, self.input_dim))
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super(GPBase, self).__init__()
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# Model.__init__(self)
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# All leaf nodes should call self._set_params(self._get_params()) at
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# the end
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def posterior_samples_f(self,X,size=10,which_parts='all'):
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"""
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Samples the posterior GP at the points X.
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:param X: The points at which to take the samples.
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:type X: np.ndarray, Nnew x self.input_dim.
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:param size: the number of a posteriori samples to plot.
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:type size: int.
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:param which_parts: which of the kernel functions to plot (additively).
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:type which_parts: 'all', or list of bools.
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:param full_cov: whether to return the full covariance matrix, or just the diagonal.
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:type full_cov: bool.
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:returns: Ysim: set of simulations, a Numpy array (N x samples).
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"""
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m, v = self._raw_predict(X, which_parts=which_parts, full_cov=True)
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v = v.reshape(m.size,-1) if len(v.shape)==3 else v
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Ysim = np.random.multivariate_normal(m.flatten(), v, size).T
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return Ysim
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def posterior_samples(self,X,size=10,which_parts='all',noise_model=None):
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"""
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Samples the posterior GP at the points X.
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:param X: the points at which to take the samples.
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:type X: np.ndarray, Nnew x self.input_dim.
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:param size: the number of a posteriori samples to plot.
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:type size: int.
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:param which_parts: which of the kernel functions to plot (additively).
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:type which_parts: 'all', or list of bools.
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:param full_cov: whether to return the full covariance matrix, or just the diagonal.
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:type full_cov: bool.
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:param noise_model: for mixed noise likelihood, the noise model to use in the samples.
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:type noise_model: integer.
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:returns: Ysim: set of simulations, a Numpy array (N x samples).
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"""
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Ysim = self.posterior_samples_f(X, size, which_parts=which_parts, full_cov=True)
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if isinstance(self.likelihood,Gaussian):
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noise_std = np.sqrt(self.likelihood._get_params())
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Ysim += np.random.normal(0,noise_std,Ysim.shape)
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elif isinstance(self.likelihood,Gaussian_Mixed_Noise):
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assert noise_model is not None, "A noise model must be specified."
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noise_std = np.sqrt(self.likelihood._get_params()[noise_model])
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Ysim += np.random.normal(0,noise_std,Ysim.shape)
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else:
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Ysim = self.likelihood.noise_model.samples(Ysim)
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return Ysim
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def plot_f(self, *args, **kwargs):
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"""
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Plot the GP's view of the world, where the data is normalized and before applying a likelihood.
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This is a convenience function: we simply call self.plot with the
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argument use_raw_predict set True. All args and kwargs are passed on to
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plot.
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see also: gp_base.plot
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"""
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kwargs['plot_raw'] = True
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self.plot(*args, **kwargs)
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def plot(self, plot_limits=None, which_data_rows='all',
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which_data_ycols='all', which_parts='all', fixed_inputs=[],
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levels=20, samples=0, fignum=None, ax=None, resolution=None,
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plot_raw=False,
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linecol=Tango.colorsHex['darkBlue'],fillcol=Tango.colorsHex['lightBlue']):
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"""
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Plot the posterior of the GP.
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- In one dimension, the function is plotted with a shaded region identifying two standard deviations.
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- In two dimsensions, a contour-plot shows the mean predicted function
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- In higher dimensions, use fixed_inputs to plot the GP with some of the inputs fixed.
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Can plot only part of the data and part of the posterior functions
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using which_data_rowsm which_data_ycols and which_parts
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:param plot_limits: The limits of the plot. If 1D [xmin,xmax], if 2D [[xmin,ymin],[xmax,ymax]]. Defaluts to data limits
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:type plot_limits: np.array
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:param which_data_rows: which of the training data to plot (default all)
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:type which_data_rows: 'all' or a slice object to slice self.X, self.Y
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:param which_data_ycols: when the data has several columns (independant outputs), only plot these
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:type which_data_rows: 'all' or a list of integers
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:param which_parts: which of the kernel functions to plot (additively)
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:type which_parts: 'all', or list of bools
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:param fixed_inputs: a list of tuple [(i,v), (i,v)...], specifying that input index i should be set to value v.
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:type fixed_inputs: a list of tuples
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:param resolution: the number of intervals to sample the GP on. Defaults to 200 in 1D and 50 (a 50x50 grid) in 2D
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:type resolution: int
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:param levels: number of levels to plot in a contour plot.
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:type levels: int
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:param samples: the number of a posteriori samples to plot
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:type samples: int
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:param fignum: figure to plot on.
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:type fignum: figure number
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:param ax: axes to plot on.
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:type ax: axes handle
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:type output: integer (first output is 0)
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:param linecol: color of line to plot.
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:type linecol:
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:param fillcol: color of fill
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:param levels: for 2D plotting, the number of contour levels to use is ax is None, create a new figure
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"""
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#deal with optional arguments
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if which_data_rows == 'all':
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which_data_rows = slice(None)
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if which_data_ycols == 'all':
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which_data_ycols = np.arange(self.output_dim)
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if len(which_data_ycols)==0:
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raise ValueError('No data selected for plotting')
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if ax is None:
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fig = pb.figure(num=fignum)
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ax = fig.add_subplot(111)
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#work out what the inputs are for plotting (1D or 2D)
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fixed_dims = np.array([i for i,v in fixed_inputs])
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free_dims = np.setdiff1d(np.arange(self.input_dim),fixed_dims)
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#one dimensional plotting
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if len(free_dims) == 1:
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#define the frame on which to plot
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resolution = resolution or 200
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Xu = self.X * self._Xscale + self._Xoffset #NOTE self.X are the normalized values now
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Xnew, xmin, xmax = x_frame1D(Xu[:,free_dims], plot_limits=plot_limits)
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Xgrid = np.empty((Xnew.shape[0],self.input_dim))
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Xgrid[:,free_dims] = Xnew
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for i,v in fixed_inputs:
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Xgrid[:,i] = v
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#make a prediction on the frame and plot it
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if plot_raw:
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m, v = self._raw_predict(Xgrid, which_parts=which_parts)
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lower = m - 2*np.sqrt(v)
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upper = m + 2*np.sqrt(v)
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Y = self.likelihood.Y
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else:
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m, v, lower, upper = self.predict(Xgrid, which_parts=which_parts,sampling=False) #Compute the exact mean
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m_, v_, lower, upper = self.predict(Xgrid, which_parts=which_parts,sampling=True,num_samples=15000) #Apporximate the percentiles
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Y = self.likelihood.data
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for d in which_data_ycols:
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gpplot(Xnew, m[:, d], lower[:, d], upper[:, d], axes=ax, edgecol=linecol, fillcol=fillcol)
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ax.plot(Xu[which_data_rows,free_dims], Y[which_data_rows, d], 'kx', mew=1.5)
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#optionally plot some samples
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if samples: #NOTE not tested with fixed_inputs
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Ysim = self.posterior_samples(Xgrid, samples, which_parts=which_parts, full_cov=True)
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for yi in Ysim.T:
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ax.plot(Xnew, yi[:,None], Tango.colorsHex['darkBlue'], linewidth=0.25)
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#ax.plot(Xnew, yi[:,None], marker='x', linestyle='--',color=Tango.colorsHex['darkBlue']) #TODO apply this line for discrete outputs.
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#set the limits of the plot to some sensible values
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ymin, ymax = min(np.append(Y[which_data_rows, which_data_ycols].flatten(), lower)), max(np.append(Y[which_data_rows, which_data_ycols].flatten(), upper))
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ymin, ymax = ymin - 0.1 * (ymax - ymin), ymax + 0.1 * (ymax - ymin)
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ax.set_xlim(xmin, xmax)
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ax.set_ylim(ymin, ymax)
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#2D plotting
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elif len(free_dims) == 2:
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#define the frame for plotting on
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resolution = resolution or 50
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Xu = self.X * self._Xscale + self._Xoffset #NOTE self.X are the normalized values now
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Xnew, _, _, xmin, xmax = x_frame2D(Xu[:,free_dims], plot_limits, resolution)
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Xgrid = np.empty((Xnew.shape[0],self.input_dim))
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Xgrid[:,free_dims] = Xnew
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for i,v in fixed_inputs:
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Xgrid[:,i] = v
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x, y = np.linspace(xmin[0], xmax[0], resolution), np.linspace(xmin[1], xmax[1], resolution)
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#predict on the frame and plot
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if plot_raw:
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m, _ = self._raw_predict(Xgrid, which_parts=which_parts)
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Y = self.likelihood.Y
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else:
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m, _, _, _ = self.predict(Xgrid, which_parts=which_parts,sampling=False)
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Y = self.likelihood.data
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for d in which_data_ycols:
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m_d = m[:,d].reshape(resolution, resolution).T
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ax.contour(x, y, m_d, levels, vmin=m.min(), vmax=m.max(), cmap=pb.cm.jet)
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ax.scatter(self.X[which_data_rows, free_dims[0]], self.X[which_data_rows, free_dims[1]], 40, Y[which_data_rows, d], cmap=pb.cm.jet, vmin=m.min(), vmax=m.max(), linewidth=0.)
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#set the limits of the plot to some sensible values
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ax.set_xlim(xmin[0], xmax[0])
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ax.set_ylim(xmin[1], xmax[1])
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if samples:
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warnings.warn("Samples are rather difficult to plot for 2D inputs...")
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else:
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raise NotImplementedError, "Cannot define a frame with more than two input dimensions"
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def getstate(self):
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"""
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Get the curent state of the class. This is only used to efficiently
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pickle the model. See also self.setstate
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"""
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return Model.getstate(self) + [self.X,
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self.num_data,
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self.input_dim,
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self.kern,
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self.likelihood,
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self.output_dim,
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self._Xoffset,
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self._Xscale]
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def setstate(self, state):
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"""
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Set the state of the model. Used for efficient pickling
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"""
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self._Xscale = state.pop()
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self._Xoffset = state.pop()
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self.output_dim = state.pop()
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self.likelihood = state.pop()
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self.kern = state.pop()
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self.input_dim = state.pop()
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self.num_data = state.pop()
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self.X = state.pop()
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Model.setstate(self, state)
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def log_predictive_density(self, x_test, y_test):
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"""
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Calculation of the log predictive density
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.. math:
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p(y_{*}|D) = p(y_{*}|f_{*})p(f_{*}|\mu_{*}\\sigma^{2}_{*})
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:param x_test: test observations (x_{*})
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:type x_test: (Nx1) array
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:param y_test: test observations (y_{*})
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:type y_test: (Nx1) array
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"""
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mu_star, var_star = self._raw_predict(x_test)
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return self.likelihood.log_predictive_density(y_test, mu_star, var_star)
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