qiskit.chemistry.algorithms.pes_samplers.PolynomialExtrapolator

class PolynomialExtrapolator(degree=1)

An extrapolator based on fitting each parameter to a polynomial function of a user-specified degree.

WARNING: Should only be used with window. Using no window includes points after the point being extrapolated in the data window.

Constructor.

Parameter

degree (int) – Degree of polynomial to use for fitting in extrapolation.

__init__(degree=1)

Constructor.

Parameter

degree (int) – Degree of polynomial to use for fitting in extrapolation.

Methods

__init__([degree])	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.

extrapolate(points, param_dict)

Extrapolate at specified point of interest given a set of variational parameters. Extrapolation is based on a polynomial function/spline fitting with a user-specified degree.

Parameter

• 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.

Rückgabetyp

Dict[float, List[float]]

Rückgabe

Dictionary of variational parameters for extrapolated point(s).

static factory(mode, **kwargs)

Factory method for constructing extrapolators.

Parameter

• 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

Rückgabetyp

Extrapolator

Rückgabe

A newly created extrapolator instance.

Verursacht

AquaError – if specified mode is unknown.