qiskit.chemistry.algorithms.pes_samplers.WindowExtrapolator¶

class WindowExtrapolator(extrapolator=None, window=2)[source]¶

An extrapolator which wraps another extrapolator, limiting the internal extrapolator’s ground truth parameter set to a fixed window size.

Constructor.

Paramètres

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__(extrapolator=None, window=2)[source]¶

Constructor.

Paramètres

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(points, param_dict)[source]¶

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.

Paramètres

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.

Type renvoyé

Dict[float, List[float]]

Renvoie

Dictionary of variational parameters for extrapolated point(s).

property extrapolator¶

Returns the internal extrapolator.

Type renvoyé: Extrapolator
Renvoie: The internal extrapolator.

static factory(mode, **kwargs)¶

Factory method for constructing extrapolators.

Paramètres

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

Type renvoyé

Extrapolator

Renvoie

A newly created extrapolator instance.

Lève

AquaError – if specified mode is unknown.

property window¶

Returns the size of the window.

Type renvoyé: int
Renvoie: The size of the window.