qiskit.chemistry.algorithms.pes_samplers.WindowExtrapolator
class WindowExtrapolator(extrapolator=None, window=2)
An extrapolator which wraps another extrapolator, limiting the internal extrapolator’s ground truth parameter set to a fixed window size.
Constructor.
Parameters
- extrapolator (
Union[PolynomialExtrapolator,DifferentialExtrapolator,None]) – ‘internal’ extrapolator that performs extrapolation on variational parameters based on data window - window (
int) – Number of previous points to use for extrapolation. A value of zero indicates that all previous points will be used for bootstrapping.
__init__
__init__(extrapolator=None, window=2)
Constructor.
Parameters
- extrapolator (
Union[PolynomialExtrapolator,DifferentialExtrapolator,None]) – ‘internal’ extrapolator that performs extrapolation on variational parameters based on data window - window (
int) – Number of previous points to use for extrapolation. A value of zero indicates that all previous points will be used for bootstrapping.
Methods
__init__([extrapolator, window]) | Constructor. |
extrapolate(points, param_dict) | Extrapolate at specified point of interest given a set of variational parameters. |
factory(mode, **kwargs) | Factory method for constructing extrapolators. |
Attributes
extrapolator | Returns the internal extrapolator. |
window | Returns the size of the window. |
extrapolate
extrapolate(points, param_dict)
Extrapolate at specified point of interest given a set of variational parameters. Based on the specified window, a subset of the data points will be used for extrapolation. A default window of 2 points is used, while a value of zero indicates that all previous points will be used for extrapolation. This method defines the data window before performing the internal extrapolation.
Parameters
- points (
List[float]) – List of point(s) to be used for extrapolation. Can represent some degree of freedom, ex, interatomic distance. - param_dict (
Optional[Dict[float,List[float]]]) – Dictionary of variational parameters. Each key is the point and the value is a list of the variational parameters.
Return type
Dict[float, List[float]]
Returns
Dictionary of variational parameters for extrapolated point(s).
extrapolator
Returns the internal extrapolator.
Return type
Extrapolator
Returns
The internal extrapolator.
factory
static factory(mode, **kwargs)
Factory method for constructing extrapolators.
Parameters
- mode (
str) – Extrapolator to instantiate. Can be one of: - ‘window’ - ‘poly’ - ‘diff_model’ - ‘pca’ - ‘l1’ - kwargs – arguments to be passed to the constructor of an extrapolator
Return type
Extrapolator
Returns
A newly created extrapolator instance.
Raises
AquaError – if specified mode is unknown.
window
Returns the size of the window.
Return type
int
Returns
The size of the window.