Gaussian process regression (object)ΒΆ

This is an object for building Gaussian process regression model and using it for Bayesian optimization.

The object contains the following attributes:

  • kernel: a sklearn.gaussian_process.kernels object.

  • gpr: a sklearn.gaussian_process.GaussianProcessRegressor object.

  • trainX: a numpy array containing the training points (input).

  • trainy: a numpy array containing the training values (output).

  • scaledX: a numpy array containing the scaled training points (input).

  • gradientPct: a numpy array containing percentages of the strong mobile phase for gradients in the search space.

  • gridX: a numpy array containing the grid search space.

  • scaler: a sklearn.preprocessing.StandardScaler object.