BOBYQA
class BOBYQA(maxiter=1000)
Bases: qiskit.algorithms.optimizers.optimizer.Optimizer
Bound Optimization BY Quadratic Approximation algorithm.
BOBYQA finds local solutions to nonlinear, non-convex minimization problems with optional bound constraints, without requirement of derivatives of the objective function.
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.
Parameters
maxiter (int) – Maximum number of function evaluations.
Raises
MissingOptionalLibraryError – scikit-quant not installed
Methods
get_support_level
BOBYQA.get_support_level()
Returns support level dictionary.
gradient_num_diff
static BOBYQA.gradient_num_diff(x_center, f, epsilon, max_evals_grouped=None)
We compute the gradient with the numeric differentiation in the parallel way, around the point x_center.
Parameters
- x_center (ndarray) – point around which we compute the gradient
- f (func) – the function of which the gradient is to be computed.
- epsilon (float) – the epsilon used in the numeric differentiation.
- max_evals_grouped (int) – max evals grouped, defaults to 1 (i.e. no batching).
Returns
the gradient computed
Return type
grad
minimize
BOBYQA.minimize(fun, x0, jac=None, bounds=None)
Minimize the scalar function.
Parameters
- fun (
Callable[[Union[float,ndarray]],float]) – The scalar function to minimize. - x0 (
Union[float,ndarray]) – The initial point for the minimization. - jac (
Optional[Callable[[Union[float,ndarray]],Union[float,ndarray]]]) – The gradient of the scalar functionfun. - bounds (
Optional[List[Tuple[float,float]]]) – Bounds for the variables offun. This argument might be ignored if the optimizer does not support bounds.
Return type
Returns
The result of the optimization, containing e.g. the result as attribute x.
print_options
BOBYQA.print_options()
Print algorithm-specific options.
set_max_evals_grouped
BOBYQA.set_max_evals_grouped(limit)
Set max evals grouped
set_options
BOBYQA.set_options(**kwargs)
Sets or updates values in the options dictionary.
The options dictionary may be used internally by a given optimizer to pass additional optional values for the underlying optimizer/optimization function used. The options dictionary may be initially populated with a set of key/values when the given optimizer is constructed.
Parameters
kwargs (dict) – options, given as name=value.
wrap_function
static BOBYQA.wrap_function(function, args)
Wrap the function to implicitly inject the args at the call of the function.
Parameters
- function (func) – the target function
- args (tuple) – the args to be injected
Returns
wrapper
Return type
function_wrapper
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
Return type
Dict[str, Any]