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@felixmett felixmett commented Feb 11, 2025

Related Issue:

  • This PR introduces a draft for the implementation of Gaussian processes, as outlined in issue Gaussian Processes #190.

Description:

  • This PR defines a Gaussian process using AbstractGPs.jl, where you can specify a mean function, a kernel function, and optionally add observational noise.
  • The Gaussian process can be fitted to data directly or have its hyperparameters optimized using maximum likelihood estimation (MLE).
  • Hyperparameters are automatically extracted from the Gaussian process model during optimization.

Current State:

  • A gaussian process can be fitted to data stored in a DataFrame.
  • A gaussian process can be fitted with an UQInput, a UQModel and an experimental design.
  • The hyperparameters of the Gaussian process can optionally be optimized using MLE.
  • Both input and output standardization are supported.

What’s Left to Do:

  • The automatic hyperparameter-extraction is not implemented for every possible mean and kernel function.
  • The current optimization method is unstable and heavily relies on a good initial guess for the hyperparameters.
  • Occasionally, UQInput standardization can break the fitting procedure due to -Inf or Inf values arising from the inverse standard normal CDF.
  • There is no documentation yet
  • There are no recent tests implemented

felixmett and others added 30 commits February 6, 2024 13:07
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2 participants