# Copyright (c) 2012-2014, GPy authors (see AUTHORS.txt). # Licensed under the BSD 3-clause license (see LICENSE.txt) """ Gaussian Processes regression examples """ try: from matplotlib import pyplot as pb except: pass import numpy as np import GPy def olympic_marathon_men(optimize=True, plot=True): """Run a standard Gaussian process regression on the Olympic marathon data.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.olympic_marathon_men() # create simple GP Model m = GPy.models.GPRegression(data['X'], data['Y']) # set the lengthscale to be something sensible (defaults to 1) m.kern.lengthscale = 10. if optimize: m.optimize('bfgs', max_iters=200) if plot: m.plot(plot_limits=(1850, 2050)) return m def coregionalization_toy(optimize=True, plot=True): """ A simple demonstration of coregionalization on two sinusoidal functions. """ #build a design matrix with a column of integers indicating the output X1 = np.random.rand(50, 1) * 8 X2 = np.random.rand(30, 1) * 5 #build a suitable set of observed variables Y1 = np.sin(X1) + np.random.randn(*X1.shape) * 0.05 Y2 = np.sin(X2) + np.random.randn(*X2.shape) * 0.05 + 2. m = GPy.models.GPCoregionalizedRegression(X_list=[X1,X2], Y_list=[Y1,Y2]) if optimize: m.optimize('bfgs', max_iters=100) if plot: slices = GPy.util.multioutput.get_slices([X1,X2]) m.plot(fixed_inputs=[(1,0)],which_data_rows=slices[0],Y_metadata={'output_index':0}) m.plot(fixed_inputs=[(1,1)],which_data_rows=slices[1],Y_metadata={'output_index':1},ax=pb.gca()) return m def coregionalization_sparse(optimize=True, plot=True): """ A simple demonstration of coregionalization on two sinusoidal functions using sparse approximations. """ #build a design matrix with a column of integers indicating the output X1 = np.random.rand(50, 1) * 8 X2 = np.random.rand(30, 1) * 5 #build a suitable set of observed variables Y1 = np.sin(X1) + np.random.randn(*X1.shape) * 0.05 Y2 = np.sin(X2) + np.random.randn(*X2.shape) * 0.05 + 2. m = GPy.models.SparseGPCoregionalizedRegression(X_list=[X1,X2], Y_list=[Y1,Y2]) if optimize: m.optimize('bfgs', max_iters=100) if plot: slices = GPy.util.multioutput.get_slices([X1,X2]) m.plot(fixed_inputs=[(1,0)],which_data_rows=slices[0],Y_metadata={'output_index':0}) m.plot(fixed_inputs=[(1,1)],which_data_rows=slices[1],Y_metadata={'output_index':1},ax=pb.gca()) pb.ylim(-3,) return m def epomeo_gpx(max_iters=200, optimize=True, plot=True): """ Perform Gaussian process regression on the latitude and longitude data from the Mount Epomeo runs. Requires gpxpy to be installed on your system to load in the data. """ try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.epomeo_gpx() num_data_list = [] for Xpart in data['X']: num_data_list.append(Xpart.shape[0]) num_data_array = np.array(num_data_list) num_data = num_data_array.sum() Y = np.zeros((num_data, 2)) t = np.zeros((num_data, 2)) start = 0 for Xpart, index in zip(data['X'], range(len(data['X']))): end = start+Xpart.shape[0] t[start:end, :] = np.hstack((Xpart[:, 0:1], index*np.ones((Xpart.shape[0], 1)))) Y[start:end, :] = Xpart[:, 1:3] num_inducing = 200 Z = np.hstack((np.linspace(t[:,0].min(), t[:, 0].max(), num_inducing)[:, None], np.random.randint(0, 4, num_inducing)[:, None])) k1 = GPy.kern.RBF(1) k2 = GPy.kern.Coregionalize(output_dim=5, rank=5) k = k1**k2 m = GPy.models.SparseGPRegression(t, Y, kernel=k, Z=Z, normalize_Y=True) m.constrain_fixed('.*variance', 1.) m.inducing_inputs.constrain_fixed() m.Gaussian_noise.variance.constrain_bounded(1e-3, 1e-1) m.optimize(max_iters=max_iters,messages=True) return m def multiple_optima(gene_number=937, resolution=80, model_restarts=10, seed=10000, max_iters=300, optimize=True, plot=True): """ Show an example of a multimodal error surface for Gaussian process regression. Gene 939 has bimodal behaviour where the noisy mode is higher. """ # Contour over a range of length scales and signal/noise ratios. length_scales = np.linspace(0.1, 60., resolution) log_SNRs = np.linspace(-3., 4., resolution) try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.della_gatta_TRP63_gene_expression(data_set='della_gatta',gene_number=gene_number) # data['Y'] = data['Y'][0::2, :] # data['X'] = data['X'][0::2, :] data['Y'] = data['Y'] - np.mean(data['Y']) lls = GPy.examples.regression._contour_data(data, length_scales, log_SNRs, GPy.kern.RBF) if plot: pb.contour(length_scales, log_SNRs, np.exp(lls), 20, cmap=pb.cm.jet) ax = pb.gca() pb.xlabel('length scale') pb.ylabel('log_10 SNR') xlim = ax.get_xlim() ylim = ax.get_ylim() # Now run a few optimizations models = [] optim_point_x = np.empty(2) optim_point_y = np.empty(2) np.random.seed(seed=seed) for i in range(0, model_restarts): # kern = GPy.kern.RBF(1, variance=np.random.exponential(1.), lengthscale=np.random.exponential(50.)) kern = GPy.kern.RBF(1, variance=np.random.uniform(1e-3, 1), lengthscale=np.random.uniform(5, 50)) m = GPy.models.GPRegression(data['X'], data['Y'], kernel=kern) m.likelihood.variance = np.random.uniform(1e-3, 1) optim_point_x[0] = m.rbf.lengthscale optim_point_y[0] = np.log10(m.rbf.variance) - np.log10(m.likelihood.variance); # optimize if optimize: m.optimize('scg', xtol=1e-6, ftol=1e-6, max_iters=max_iters) optim_point_x[1] = m.rbf.lengthscale optim_point_y[1] = np.log10(m.rbf.variance) - np.log10(m.likelihood.variance); if plot: pb.arrow(optim_point_x[0], optim_point_y[0], optim_point_x[1] - optim_point_x[0], optim_point_y[1] - optim_point_y[0], label=str(i), head_length=1, head_width=0.5, fc='k', ec='k') models.append(m) if plot: ax.set_xlim(xlim) ax.set_ylim(ylim) return m # (models, lls) def _contour_data(data, length_scales, log_SNRs, kernel_call=GPy.kern.RBF): """ Evaluate the GP objective function for a given data set for a range of signal to noise ratios and a range of lengthscales. :data_set: A data set from the utils.datasets director. :length_scales: a list of length scales to explore for the contour plot. :log_SNRs: a list of base 10 logarithm signal to noise ratios to explore for the contour plot. :kernel: a kernel to use for the 'signal' portion of the data. """ lls = [] total_var = np.var(data['Y']) kernel = kernel_call(1, variance=1., lengthscale=1.) model = GPy.models.GPRegression(data['X'], data['Y'], kernel=kernel) for log_SNR in log_SNRs: SNR = 10.**log_SNR noise_var = total_var / (1. + SNR) signal_var = total_var - noise_var model.kern['.*variance'] = signal_var model.likelihood.variance = noise_var length_scale_lls = [] for length_scale in length_scales: model['.*lengthscale'] = length_scale length_scale_lls.append(model.log_likelihood()) lls.append(length_scale_lls) return np.array(lls) def olympic_100m_men(optimize=True, plot=True): """Run a standard Gaussian process regression on the Rogers and Girolami olympics data.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.olympic_100m_men() # create simple GP Model m = GPy.models.GPRegression(data['X'], data['Y']) # set the lengthscale to be something sensible (defaults to 1) m.rbf.lengthscale = 10 if optimize: m.optimize('bfgs', max_iters=200) if plot: m.plot(plot_limits=(1850, 2050)) return m def toy_rbf_1d(optimize=True, plot=True): """Run a simple demonstration of a standard Gaussian process fitting it to data sampled from an RBF covariance.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.toy_rbf_1d() # create simple GP Model m = GPy.models.GPRegression(data['X'], data['Y']) if optimize: m.optimize('bfgs') if plot: m.plot() return m def toy_rbf_1d_50(optimize=True, plot=True): """Run a simple demonstration of a standard Gaussian process fitting it to data sampled from an RBF covariance.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.toy_rbf_1d_50() # create simple GP Model m = GPy.models.GPRegression(data['X'], data['Y']) if optimize: m.optimize('bfgs') if plot: m.plot() return m def toy_poisson_rbf_1d_laplace(optimize=True, plot=True): """Run a simple demonstration of a standard Gaussian process fitting it to data sampled from an RBF covariance.""" optimizer='scg' x_len = 30 X = np.linspace(0, 10, x_len)[:, None] f_true = np.random.multivariate_normal(np.zeros(x_len), GPy.kern.RBF(1).K(X)) Y = np.array([np.random.poisson(np.exp(f)) for f in f_true])[:,None] kern = GPy.kern.RBF(1) poisson_lik = GPy.likelihoods.Poisson() laplace_inf = GPy.inference.latent_function_inference.Laplace() # create simple GP Model m = GPy.core.GP(X, Y, kernel=kern, likelihood=poisson_lik, inference_method=laplace_inf) if optimize: m.optimize(optimizer) if plot: m.plot() # plot the real underlying rate function pb.plot(X, np.exp(f_true), '--k', linewidth=2) return m def toy_ARD(max_iters=1000, kernel_type='linear', num_samples=300, D=4, optimize=True, plot=True): # Create an artificial dataset where the values in the targets (Y) # only depend in dimensions 1 and 3 of the inputs (X). Run ARD to # see if this dependency can be recovered X1 = np.sin(np.sort(np.random.rand(num_samples, 1) * 10, 0)) X2 = np.cos(np.sort(np.random.rand(num_samples, 1) * 10, 0)) X3 = np.exp(np.sort(np.random.rand(num_samples, 1), 0)) X4 = np.log(np.sort(np.random.rand(num_samples, 1), 0)) X = np.hstack((X1, X2, X3, X4)) Y1 = np.asarray(2 * X[:, 0] + 3).reshape(-1, 1) Y2 = np.asarray(4 * (X[:, 2] - 1.5 * X[:, 0])).reshape(-1, 1) Y = np.hstack((Y1, Y2)) Y = np.dot(Y, np.random.rand(2, D)); Y = Y + 0.2 * np.random.randn(Y.shape[0], Y.shape[1]) Y -= Y.mean() Y /= Y.std() if kernel_type == 'linear': kernel = GPy.kern.Linear(X.shape[1], ARD=1) elif kernel_type == 'rbf_inv': kernel = GPy.kern.RBF_inv(X.shape[1], ARD=1) else: kernel = GPy.kern.RBF(X.shape[1], ARD=1) kernel += GPy.kern.White(X.shape[1]) + GPy.kern.Bias(X.shape[1]) m = GPy.models.GPRegression(X, Y, kernel) # len_prior = GPy.priors.inverse_gamma(1,18) # 1, 25 # m.set_prior('.*lengthscale',len_prior) if optimize: m.optimize(optimizer='scg', max_iters=max_iters) if plot: m.kern.plot_ARD() return m def toy_ARD_sparse(max_iters=1000, kernel_type='linear', num_samples=300, D=4, optimize=True, plot=True): # Create an artificial dataset where the values in the targets (Y) # only depend in dimensions 1 and 3 of the inputs (X). Run ARD to # see if this dependency can be recovered X1 = np.sin(np.sort(np.random.rand(num_samples, 1) * 10, 0)) X2 = np.cos(np.sort(np.random.rand(num_samples, 1) * 10, 0)) X3 = np.exp(np.sort(np.random.rand(num_samples, 1), 0)) X4 = np.log(np.sort(np.random.rand(num_samples, 1), 0)) X = np.hstack((X1, X2, X3, X4)) Y1 = np.asarray(2 * X[:, 0] + 3)[:, None] Y2 = np.asarray(4 * (X[:, 2] - 1.5 * X[:, 0]))[:, None] Y = np.hstack((Y1, Y2)) Y = np.dot(Y, np.random.rand(2, D)); Y = Y + 0.2 * np.random.randn(Y.shape[0], Y.shape[1]) Y -= Y.mean() Y /= Y.std() if kernel_type == 'linear': kernel = GPy.kern.Linear(X.shape[1], ARD=1) elif kernel_type == 'rbf_inv': kernel = GPy.kern.RBF_inv(X.shape[1], ARD=1) else: kernel = GPy.kern.RBF(X.shape[1], ARD=1) #kernel += GPy.kern.Bias(X.shape[1]) X_variance = np.ones(X.shape) * 0.5 m = GPy.models.SparseGPRegression(X, Y, kernel, X_variance=X_variance) # len_prior = GPy.priors.inverse_gamma(1,18) # 1, 25 # m.set_prior('.*lengthscale',len_prior) if optimize: m.optimize(optimizer='scg', max_iters=max_iters) if plot: m.kern.plot_ARD() return m def robot_wireless(max_iters=100, kernel=None, optimize=True, plot=True): """Predict the location of a robot given wirelss signal strength readings.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.robot_wireless() # create simple GP Model m = GPy.models.GPRegression(data['Y'], data['X'], kernel=kernel) # optimize if optimize: m.optimize(max_iters=max_iters) Xpredict = m.predict(data['Ytest'])[0] if plot: pb.plot(data['Xtest'][:, 0], data['Xtest'][:, 1], 'r-') pb.plot(Xpredict[:, 0], Xpredict[:, 1], 'b-') pb.axis('equal') pb.title('WiFi Localization with Gaussian Processes') pb.legend(('True Location', 'Predicted Location')) sse = ((data['Xtest'] - Xpredict)**2).sum() print(('Sum of squares error on test data: ' + str(sse))) return m def silhouette(max_iters=100, optimize=True, plot=True): """Predict the pose of a figure given a silhouette. This is a task from Agarwal and Triggs 2004 ICML paper.""" try:import pods except ImportError: print('pods unavailable, see https://github.com/sods/ods for example datasets') return data = pods.datasets.silhouette() # create simple GP Model m = GPy.models.GPRegression(data['X'], data['Y']) # optimize if optimize: m.optimize(messages=True, max_iters=max_iters) print(m) return m def sparse_GP_regression_1D(num_samples=400, num_inducing=5, max_iters=100, optimize=True, plot=True, checkgrad=False): """Run a 1D example of a sparse GP regression.""" # sample inputs and outputs X = np.random.uniform(-3., 3., (num_samples, 1)) Y = np.sin(X) + np.random.randn(num_samples, 1) * 0.05 # construct kernel rbf = GPy.kern.RBF(1) # create simple GP Model m = GPy.models.SparseGPRegression(X, Y, kernel=rbf, num_inducing=num_inducing) if checkgrad: m.checkgrad() if optimize: m.optimize('tnc', max_iters=max_iters) if plot: m.plot() return m def sparse_GP_regression_2D(num_samples=400, num_inducing=50, max_iters=100, optimize=True, plot=True, nan=False): """Run a 2D example of a sparse GP regression.""" np.random.seed(1234) X = np.random.uniform(-3., 3., (num_samples, 2)) Y = np.sin(X[:, 0:1]) * np.sin(X[:, 1:2]) + np.random.randn(num_samples, 1) * 0.05 if nan: inan = np.random.binomial(1,.2,size=Y.shape) Y[inan] = np.nan # construct kernel rbf = GPy.kern.RBF(2) # create simple GP Model m = GPy.models.SparseGPRegression(X, Y, kernel=rbf, num_inducing=num_inducing) # contrain all parameters to be positive (but not inducing inputs) m['.*len'] = 2. m.checkgrad() # optimize if optimize: m.optimize('tnc', messages=1, max_iters=max_iters) # plot if plot: m.plot() print(m) return m def uncertain_inputs_sparse_regression(max_iters=200, optimize=True, plot=True): """Run a 1D example of a sparse GP regression with uncertain inputs.""" fig, axes = pb.subplots(1, 2, figsize=(12, 5), sharex=True, sharey=True) # sample inputs and outputs S = np.ones((20, 1)) X = np.random.uniform(-3., 3., (20, 1)) Y = np.sin(X) + np.random.randn(20, 1) * 0.05 # likelihood = GPy.likelihoods.Gaussian(Y) Z = np.random.uniform(-3., 3., (7, 1)) k = GPy.kern.RBF(1) # create simple GP Model - no input uncertainty on this one m = GPy.models.SparseGPRegression(X, Y, kernel=k, Z=Z) if optimize: m.optimize('scg', messages=1, max_iters=max_iters) if plot: m.plot(ax=axes[0]) axes[0].set_title('no input uncertainty') print(m) # the same Model with uncertainty m = GPy.models.SparseGPRegression(X, Y, kernel=GPy.kern.RBF(1), Z=Z, X_variance=S) if optimize: m.optimize('scg', messages=1, max_iters=max_iters) if plot: m.plot(ax=axes[1]) axes[1].set_title('with input uncertainty') fig.canvas.draw() print(m) return m def simple_mean_function(max_iters=100, optimize=True, plot=True): """ The simplest possible mean function. No parameters, just a simple Sinusoid. """ #create simple mean function mf = GPy.core.Mapping(1,1) mf.f = np.sin mf.update_gradients = lambda a,b: None X = np.linspace(0,10,50).reshape(-1,1) Y = np.sin(X) + 0.5*np.cos(3*X) + 0.1*np.random.randn(*X.shape) k =GPy.kern.RBF(1) lik = GPy.likelihoods.Gaussian() m = GPy.core.GP(X, Y, kernel=k, likelihood=lik, mean_function=mf) if optimize: m.optimize(max_iters=max_iters) if plot: m.plot(plot_limits=(-10,15)) return m def parametric_mean_function(max_iters=100, optimize=True, plot=True): """ A linear mean function with parameters that we'll learn alongside the kernel """ #create simple mean function mf = GPy.core.Mapping(1,1) mf.f = np.sin X = np.linspace(0,10,50).reshape(-1,1) Y = np.sin(X) + 0.5*np.cos(3*X) + 0.1*np.random.randn(*X.shape) + 3*X mf = GPy.mappings.Linear(1,1) k =GPy.kern.RBF(1) lik = GPy.likelihoods.Gaussian() m = GPy.core.GP(X, Y, kernel=k, likelihood=lik, mean_function=mf) if optimize: m.optimize(max_iters=max_iters) if plot: m.plot() return m