IMFIL¶

class IMFIL(maxiter=1000)[código fonte]¶

Bases: Optimizer

IMplicit FILtering algorithm.

Implicit filtering is a way to solve bound-constrained optimization problems for which derivatives are not available. In comparison to methods that use interpolation to reconstruct the function and its higher derivatives, implicit filtering builds upon coordinate search followed by interpolation to get an approximate gradient.

Uses skquant.opt installed with pip install scikit-quant. For further detail, please refer to https://github.com/scikit-quant/scikit-quant and https://qat4chem.lbl.gov/software.

Parâmetros: maxiter (int) – Maximum number of function evaluations.
Levanta: MissingOptionalLibraryError – scikit-quant not installed

Methods

`get_support_level`	Returns support level dictionary.
`gradient_num_diff`	We compute the gradient with the numeric differentiation in the parallel way, around the point x_center.
`minimize`	Minimize the scalar function.
`print_options`	Print algorithm-specific options.
`set_max_evals_grouped`	Set max evals grouped
`set_options`	Sets or updates values in the options dictionary.
`wrap_function`	Wrap the function to implicitly inject the args at the call of the function.

Attributes

bounds_support_level¶: Returns bounds support level

gradient_support_level¶: Returns gradient support level

initial_point_support_level¶: Returns initial point support level

is_bounds_ignored¶: Returns is bounds ignored

is_bounds_required¶: Returns is bounds required

is_bounds_supported¶: Returns is bounds supported

is_gradient_ignored¶: Returns is gradient ignored

is_gradient_required¶: Returns is gradient required

is_gradient_supported¶: Returns is gradient supported

is_initial_point_ignored¶: Returns is initial point ignored

is_initial_point_required¶: Returns is initial point required

is_initial_point_supported¶: Returns is initial point supported

setting¶: Return setting

settings¶