improved tutorial for GP_regression

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Nicolas 2013-01-31 10:44:13 +00:00
parent e4aa4f4b0c
commit 1456d81524

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@ -28,7 +28,7 @@ The first step is to define the covariance kernel we want to use for the model.
noise = GPy.kern.white(D=1)
kernel = Gaussian + noise
The parameter D stands for the dimension of the input space. Note that many other kernels are implemented such as:
The parameter ``D`` stands for the dimension of the input space. Note that many other kernels are implemented such as:
* linear (``GPy.kern.linear``)
* exponential kernel (``GPy.kern.exponential``)
@ -41,11 +41,26 @@ The inputs required for building the model are the observations and the kernel::
m = GPy.models.GP_regression(X,Y,kernel)
The functions ``print`` and ``plot`` can help us understand the model we have just build::
The functions ``print`` and ``plot`` give an insight of the model we have just build. The code::
print m
m.plot()
gives the following output: ::
Marginal log-likelihood: -2.281e+01
Name | Value | Constraints | Ties | Prior
-----------------------------------------------------------------
rbf_variance | 1.0000 | | |
rbf_lengthscale | 1.0000 | | |
white_variance | 1.0000 | | |
.. figure:: Figures/tuto_GP_regression_m1.png
:align: center
:height: 350px
GP regression model before optimization of the parameters. The shaded region corresponds to 95% confidence intervals (ie +/- 2 standard deviation).
The default values of the kernel parameters may not be relevant for the current data (for example, the confidence intervals seems too wide on the previous figure). A common approach is find the values of the parameters that maximize the likelihood of the data. There are two steps for doing that with GPy:
* Constrain the parameters of the kernel to ensure the kernel will always be a valid covariance structure (For example, we don\'t want some variances to be negative!).
@ -57,20 +72,34 @@ There are various ways to constrain the parameters of the kernel. The most basic
but it is also possible to set a range on to constrain one parameter to be fixed. The parameter of ``m.constrain_positive`` is a regular expression that matches the name of the parameters to be constrained (as seen in ``print m``). For example, if we want the variance to be positive, the lengthscale to be in [1,10] and the noise variance to be fixed we can write::
#m.unconstrain('') # Required if the model has been previously constrained
m.unconstrain('') # Required to remove the previous constrains
m.constrain_positive('rbf_variance')
m.constrain_bounded('lengthscale',1.,10. )
m.constrain_fixed('white',0.0025)
Once the constrains have bee imposed, the model can be optimized::
Once the constrains have been imposed, the model can be optimized::
m.optimize()
If we want to perform some restarts to try to improve the result of the optimization, we can use the optimize_restart function::
m.optimize_restarts(Nrestarts = 10)
m.plot()
print(m)
Once again, we can use ``print(m)`` and ``m.plot()`` to look at the resulting model resulting model::
Marginal log-likelihood: 2.001e+01
Name | Value | Constraints | Ties | Prior
-----------------------------------------------------------------
rbf_variance | 0.8033 | (+ve) | |
rbf_lengthscale | 1.8033 | (1.0, 10.0) | |
white_variance | 0.0025 | Fixed | |
.. figure:: Figures/tuto_GP_regression_m2.png
:align: center
:height: 350px
GP regression model after optimization of the parameters.
2 dimensional example
=====================
@ -102,4 +131,18 @@ Here is a 2 dimensional example::
m.plot()
print(m)
The flag ``ARD=True`` in the definition of the Matern kernel specifies that we want one lengthscale parameter per dimension (ie the GP is not isotropic).
The flag ``ARD=True`` in the definition of the Matern kernel specifies that we want one lengthscale parameter per dimension (ie the GP is not isotropic). The output of the last 2 lines is::
Marginal log-likelihood: 2.893e+01
Name | Value | Constraints | Ties | Prior
-------------------------------------------------------------------------
Mat52_ARD_variance | 0.4094 | (+ve) | |
Mat52_ARD_lengthscale_0 | 2.1060 | (+ve) | |
Mat52_ARD_lengthscale_1 | 2.0546 | (+ve) | |
white_variance | 0.0012 | (+ve) | |
.. figure:: Figures/tuto_GP_regression_m3.png
:align: center
:height: 350px
Contour plot of the best predictor (posterior mean).