Part 3 · The Maths I: Gaussian Process Surrogates
A prior over functions
A Gaussian process is a probability distribution over functions with one defining property: for any finite set of inputs, the vector of function values is jointly Gaussian. It is fully specified by a mean function (we take m(x) = 0 after normalizing the data) and a kernel k(x, x′) giving the covariance between the values at any two inputs:
f the unknown objective · GP(0, k) a Gaussian process prior with zero mean and covariance function k · x, x′ any two input points
The workhorse kernel is the squared exponential (RBF), with signal variance fixed at 1 and a lengthscale ℓ:
‖x − x′‖ the distance between two inputs · ℓ the lengthscale: how far apart inputs must be before their values decorrelate
Nearby inputs get correlation ≈1 (the function barely moves between them); inputs more than a few lengthscales apart get correlation ≈0 (their values are essentially independent). The kernel is a hypothesis about how fast f varies — and you can see exactly what that hypothesis asserts by drawing random functions from the prior: