IP Library Granted Patent US 12,468,977
Granted Patent B2
US 12,468,977 · App. 17/378,437 · Granted Nov 11, 2025

Uncertainty aware parameter provision for a variational quantum algorithm

Inventors: Edward Oliver Pyzer-Knapp (Runcorn, GB); Mario Motta (San Jose, CA); Michael Johnston (Dublin, IE)
Assignee: INTERNATIONAL BUSINESS MACHINES CORPORATION
G06N20/00G06N10/00
View Patent ↗
Loading inventors, assignments & file history…
Monitor This Case
Get email alerts when status or documents change.
Order Certified Copies
Most orders are placed with the USPTO same day — all within 24 business hours.
Order via The Patent Place →
Pre-filled with this patent's details
Quick Facts
Patent No.
US 12,468,977
App. No.
17/378,437
Granted
Nov 11, 2025
Kind
B2
Abstract

Systems, computer-implemented methods and/or computer program products that can facilitate providing a defined parameter, determining whether to employ the defined parameter for a variational quantum algorithm, and running the variational quantum algorithm on a quantum system, are provided. According to an embodiment, a system can comprise a memory that stores computer executable components and a processor that executes the computer executable components stored in the memory. The computer executable components can comprise a decision component that determines, based upon an uncertainty prediction regarding the usability of the defined parameter that has been output from a machine learning model, whether to employ the defined parameter in a variational quantum algorithm, such as run on a quantum system.

Claims (49)

1 . A system, comprising:

a memory that stores computer executable components; and

a processor that executes the computer executable components stored in the memory, wherein the computer executable components comprise:

a decision component that determines, based upon an uncertainty prediction regarding usability of a defined parameter that has been output from a machine learning model, whether to employ the defined parameter for running a variational quantum algorithm;

a training component that trains the machine learning model by employing a central data store having data related to the variational quantum algorithm, wherein the training comprises training a machine learning model to be uncertainty aware by basing the machine learning model on a natively uncertainty aware machine learning algorithm; and

an Ansatz component comprises a set of quantum circuits with one or more free parameters, and approximates a quantum state of interest in which the one or more free parameters take optimal values, wherein the decision component outputs feedback to the Ansatz component to direct the Ansatz component to perform parameter optimization on the one or more free parameters using the defined parameter.

2 . The system of claim 1 , further comprising:

a performance component that executes the machine learning model to provide the uncertainty prediction and the defined parameter,

wherein the defined parameter is a variational parameter for initialization of the variational quantum algorithm.

3 . The system of claim 1 , further comprising:

an updating component that updates the central data store with the defined parameter and the associated uncertainty prediction.

4 . The system of claim 1 , further comprising:

an aggregation component that enables updating of the central data store with one or more other defined parameters, other associated uncertainty predictions, or a combination thereof, from a plurality of systems being distributed relative to one another.

5 . The system of claim 1 , further comprising:

a quantum calculation component that executes the variational quantum algorithm on a quantum device, wherein the variational quantum algorithm employs one or more parameters determined at least in part based on the determination regarding the defined parameter.

6 . The system of claim 1 , wherein the Ansatz component employs an Ansatz method to optimize a supplementary parameter where the decision component determines that the defined parameter will not be employed by the variational quantum algorithm.

7 . A computer-implemented method, comprising:

determining, by a decision component of a system operatively coupled to a processor, and based upon an uncertainty prediction regarding usability of a defined parameter having been output from a machine learning model, whether to employ the defined parameter for running a variational quantum algorithm;

training, by the system, the machine learning model by employing, by the system, a central data store having data related to the variational quantum algorithm, wherein the training comprises training a machine learning model to be uncertainty aware by basing the machine learning model on a natively uncertainty aware machine learning algorithm; and

approximating, by the system, a quantum state of interest in which one or more free parameters take optimal values, wherein the decision component outputs feedback to an Ansatz component to direct the Ansatz component to perform parameter optimization on the one or more free parameters associated with a set of quantum circuits in the Ansatz component using the defined parameter.

8 . The computer-implemented method of claim 7 , further comprising:

executing, by the system, the machine learning model to provide the uncertainty prediction and the defined parameter,

wherein the defined parameter is a variational parameter for initialization of the variational quantum algorithm.

9 . The computer-implemented method of claim 7 , further comprising:

updating, by the system, the central data store with the defined parameter and the associated uncertainty prediction.

10 . The computer-implemented method of claim 7 , further comprising:

enabling, by the system, updating of the central data store with one or more other defined parameters, other associated uncertainty predictions, or a combination thereof, from a plurality of systems being distributed relative to one another.

11 . The computer-implemented method of claim 7 , further comprising:

executing, by the system, the variational quantum algorithm on a quantum device, including

employing, by the system, one or more parameters, by the variational quantum algorithm, determined at least in part based on the determination regarding the defined parameter.

12 . The computer-implemented method of claim 7 , further comprising:

employing, by the system, an Ansatz method to optimize a supplementary parameter where the decision component determines that the defined parameter will not be employed by the variational quantum algorithm.

13 . The computer-implemented method of claim 7 , wherein the training the machine learning model to be uncertainty aware is by basing the machine learning model on a natively uncertainty aware machine learning algorithm such as a Gaussian process or a Bayesian neural network.

14 . A computer program product facilitating a process providing a defined parameter and determining whether to employ the defined parameter for a variational quantum algorithm, the computer program product comprising a non-transitory computer readable storage medium having program instructions embodied therewith, the program instructions executable by a processor to cause the processor to:

determine, by the processor, an uncertainty prediction, related to a defined parameter and relative to the variational quantum algorithm;

determine, by a decision component in the processor, and based upon the uncertainty prediction regarding usability of the defined parameter having been output from a machine learning model, whether to employ the defined parameter for running a variational quantum algorithm; and

approximate, by the processor, a quantum state of interest in which one or more free parameters take optimal values, wherein the decision component outputs feedback to an Ansatz component to direct the Ansatz component to perform parameter optimization on the one or more free parameters associated with a set of quantum circuits in the Ansatz component using the defined parameter.

15 . The computer program product of claim 14 , further comprising causing the processor to:

execute, by the processor, the machine learning model to provide the uncertainty prediction and the defined parameter,

wherein the defined parameter is a variational parameter for initialization of the variational quantum algorithm.

16 . The computer program product of claim 14 , further comprising causing the processor to:

train, by the processor, the machine learning model by employing, by the system, a central data store having data related to the variational quantum algorithm.

17 . The computer program product of claim 16 , further comprising causing the processor to:

update, by the processor, the central data store with the defined parameter and the associated uncertainty prediction.

18 . The computer program product of claim 16 , further comprising causing the processor to:

enable, by the processor, updating of the central data store with one or more other defined parameters, other associated uncertainty predictions, or a combination thereof, from a plurality of systems being distributed relative to one another.

19 . The computer program product of claim 14 , further comprising causing the processor to:

execute, by the processor, the variational quantum algorithm on a quantum device, including

employing, by the processor, one or more parameters, by the variational quantum algorithm, determined at least in part based on the determination regarding the defined parameter.

Assignments (1)
ASSIGNMENT OF ASSIGNOR'S INTEREST Recorded Jul 16, 2021
From: PYZER-KNAPP, EDWARD OLIVER; MOTTA, MARIO; JOHNSTON, MICHAEL
To: INTERNATIONAL BUSINESS MACHINES CORPORATION
Reel/Frame 056887/0361 →
Continuity (1)
Related Publication 20230012699A1 · Jan 19, 2023
References Cited (43)
US 10325218B1 · Zeng · 2019 [cited by examiner]
US 10452989B2 · Majumdar · 2019 [cited by applicant]
US 10587277B2 · Hincks et al. · 2020 [cited by applicant]
US 10789541B2 · Mohseni et al. · 2020 [cited by applicant]
US 20140187427A1 · Macready · 2014 [cited by examiner]
US 20180096085A1 · Rubin · 2018 [cited by applicant]
US 20190130256A1 · Ghahramani · 2019 [cited by examiner]
US 20200104740A1 · Cao · 2020 [cited by applicant]
US 20200286595A1 · Neukart et al. · 2020 [cited by applicant]
US 20200349457A1 · Low et al. · 2020 [cited by applicant]
US 20200394537A1 · Wang · 2020 [cited by examiner]
US 20210157877A1 · Mezzacapo · 2021 [cited by examiner]
US 20210279631A1 · Pichler · 2021 [cited by examiner]
EP 3520041A1 · 2019 [cited by applicant]
WO 2020142122A3 · 2020 [cited by applicant]
Chen et al., “Closed-Loop and Robust Control of Quantum Systems”, the Scientific World Journal, vol. 2013, Article ID 869285, Aug. 2013. (Year: 2013). [cited by examiner]
Koswara et al., “Robustness of Controlled Quantum Dynamics”, arXiv ID: 1409.8096, Sep. 29, 2014. (Year: 2014). [cited by examiner]
Cerezo et al., “Variational Quantum Algorithms”, arXiv ID: 2012.09265, Dec. 16, 2020. (Year: 2020). [cited by examiner]
Koswara et al., “Robust Control of Quantum Dynamics under Input and Parameter Uncertainty”, arXiv ID: 2102.11813. Feb. 23, 2021. (Year: 2021). [cited by examiner]
Dong et al., “Robust Control Optimization for Quantum Approximate Optimization Algorithm”, arXiv: 1911.00789, Nov. 2, 2019. (Year: 2019). [cited by examiner]
Westermann et al., “Using Bayesian deep learning approaches for uncertainty-aware building energy surrogate models”, arXiv: 2010.030329, Oct. 5, 2020. (Year: 2020). [cited by examiner]
Bakthavatchalam et al., “Bayesian Optimization of Bose-Einstein Condensates”, Scientific Reports, 11, 5054, Mar. 3, 2021. (Year: 2021). [cited by examiner]
Chen et al., “Closed-Loop and Robust Control of Quantum Systems”, the Scientific World Journal, vol. 2013, Article ID 869285, Aug. 2013, pp. 1-11. (Year: 2013). [cited by examiner]
Koswara et al., “Robustness of Controlled Quantum Dynamics”, arXiv ID: 1409.8096, Sep. 29, 2014, pp. 1-15. (Year: 2014). [cited by examiner]
Wu et al., “Robust Quantum Operation for Two-Level Systems Using Sampling-Based Learning Control”, 2015 IEEE International Conference on Systems, Man, and Cybernetics, Oct. 2015, pp. 2043-2048. (Year: 2015). [cited by examiner]
Dong et al., “Robust Control Optimization for Quantum Approximate Optimization Algorithm”, arXiv ID: 1911.00789, Nov. 2, 2019, pp. 1-8. (Year: 2019). [cited by examiner]
Westermann et al., “Using Bayesian deep learning approaches for uncertainty-aware building energy surrogate models”, arXiv ID: 2010.030329, Oct. 5, 2020, pp. 1-46. (Year: 2020). [cited by examiner]
Dangwal et al., “An Algorithm for Fast Supervised Learning in Variational Circuits through Simultaneous Processing of Multiple Samples”, arXiv ID: 2011.14297, Nov. 29, 2020, pp. 1-9. (Year: 2020). [cited by examiner]
Cerezo et al., “Variational Quantum Algorithms”, arXiv ID: 2012.09265, Dec. 16, 2020, pp. 1-29. (Year: 2020). [cited by examiner]
Koswara et al., “Robust Control of Quantum Dynamics under Input and Parameter Uncertainty”, arXiv ID: 2102.11813. Feb. 23, 2021, pp. 1-19. (Year: 2021). [cited by examiner]
Bakthavatchalam et al., “Bayesian Optimization of Bose-Einstein Condensates”, Scientific Reports, 11, 5054, Mar. 3, 2021, pp. 1-9. (Year: 2021). [cited by examiner]
Magann et al, “Feedback-based quantum optimization”, arXiv ID: 2103.08619, Mar. 15, 2021, pp. 1-8. (Year: 2021). [cited by examiner]
Fontalvo, “Variational quantum information processing,” Doctoral dissertation, Harvard University, Graduate School of Arts & Sciences, Jan. 20, 2019, 281 pages. [cited by applicant]
Peruzzo et al., “A variational eigenvalue solver on a quantum processor,” arXiv:1304.3061v1 [quant-ph]. [cited by applicant]
Grimsley et al., “An adaptive variational algorithm for exact molecular simulations on a quantum computer,” arXiv:1812.11173v2 [quant-ph] Jul. 13, 2019, 11 pages. [cited by applicant]
Benedetti et al., “Parameterized quantum circuits as machine learning models,” arXiv:1906.07682v2 [quant-ph] Oct. 10, 2019, 18 pages. [cited by applicant]
Mitarai et al., “Generalization of the Output of a Variational Quantum Eigensolver by Parameter Interpolation with a Low-depth Ansatz,” Physical Review Applied 11, 044087 (2019), 9 pages. [cited by applicant]
Romero et al., “Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz,” 2019 Quantum Sci. Technol. 4 014008, 19 pages. [cited by applicant]
Parrish et al., “Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver,” arXiv:1906.08728v1 [quant-ph] Jun. 20, 2019, 2… [cited by applicant]
Higgott et al., “Variational Quantum Computation of Excited States,” arXiv:1805.08138v5 [quant-ph] Jun. 28, 2019, 11 pages. [cited by applicant]
Sun et al., “Quantum Computation of Finite-Temperature Static and Dynamical Properties of Spin Systems Using Quantum Imaginary Time Evolution,” arXiv:2009.03542v1 [quant-ph] Sep. 8, 2020, 14 pages. [cited by applicant]
O'Brien et al., “Calculating energy derivatives for quantum chemistry on a quantum computer,” npj Quantum Information vol. 5, Article No. 113 (2019), 12 pages. [cited by applicant]
Mell et al., “The NIST Definition of Cloud Computing,” Recommendations of the National Institute of Standards and Technology, NIST Special Publication 800-145, Sep. 2011, 7 pages. [cited by applicant]