Module model_selection

Module for selecting the best model.

Functions

select(method=None, modsel_pipe=None, bundle=None, pipes=None)
Model selection function.

Variables

__package__ = 'pipe_control'

Imports: sys, RelaxError, RelaxPipeError, write_data, aic, aicc, bic, interatomic, mol_res_spin, pipe_control, has_pipe, pipe_names, switch, return_api

Function Details

select(method=None, modsel_pipe=None, bundle=None, pipes=None)

Model selection function.

Parameters:

• method (str) - The model selection method. This can currently be one of:
  • 'AIC', Akaike's Information Criteria.
  • 'AICc', Small sample size corrected AIC.
  • 'BIC', Bayesian or Schwarz Information Criteria.
  • 'CV', Single-item-out cross-validation.

  None of the other model selection techniques are currently supported.

• modsel_pipe (str) - The name of the new data pipe to be created by copying of the selected data pipe.
• bundle (str or None) - The optional data pipe bundle to associate the newly created pipe with.
• pipes (list of str) - A list of the data pipes to use in the model selection.