TY - JOUR
T1 - Hamiltonian Learning from Time Dynamics Using Variational Algorithms
AU - Gupta, Rishabh
AU - Selvarajan, Raja
AU - Sajjan, Manas
AU - Levine, Raphael D.
AU - Kais, Sabre
N1 - Publisher Copyright:
© 2023 American Chemical Society
PY - 2023/4/13
Y1 - 2023/4/13
N2 - The Hamiltonian of a quantum system governs the dynamics of the system via the Schrodinger equation. In this paper, the Hamiltonian is reconstructed in the Pauli basis using measurables on random states forming a time series data set. The time propagation is implemented through Trotterization and optimized variationally with gradients computed on the quantum circuit. We validate our output by reproducing the dynamics of unseen observables on a randomly chosen state not used for the optimization. Unlike existing techniques that try and exploit the structure/properties of the Hamiltonian, our scheme is general and provides freedom with regard to what observables or initial states can be used while still remaining efficient with regard to implementation. We extend our protocol to doing quantum state learning where we solve the reverse problem of doing state learning given time series data of observables generated against several Hamiltonian dynamics. We show results on Hamiltonians involving XX, ZZ couplings along with transverse field Ising Hamiltonians and propose an analytical method for the learning of Hamiltonians consisting of generators of the SU(3) group. This paper is likely to pave the way toward using Hamiltonian learning for time series prediction within the context of quantum machine learning algorithms.
AB - The Hamiltonian of a quantum system governs the dynamics of the system via the Schrodinger equation. In this paper, the Hamiltonian is reconstructed in the Pauli basis using measurables on random states forming a time series data set. The time propagation is implemented through Trotterization and optimized variationally with gradients computed on the quantum circuit. We validate our output by reproducing the dynamics of unseen observables on a randomly chosen state not used for the optimization. Unlike existing techniques that try and exploit the structure/properties of the Hamiltonian, our scheme is general and provides freedom with regard to what observables or initial states can be used while still remaining efficient with regard to implementation. We extend our protocol to doing quantum state learning where we solve the reverse problem of doing state learning given time series data of observables generated against several Hamiltonian dynamics. We show results on Hamiltonians involving XX, ZZ couplings along with transverse field Ising Hamiltonians and propose an analytical method for the learning of Hamiltonians consisting of generators of the SU(3) group. This paper is likely to pave the way toward using Hamiltonian learning for time series prediction within the context of quantum machine learning algorithms.
UR - http://www.scopus.com/inward/record.url?scp=85151350960&partnerID=8YFLogxK
U2 - 10.1021/acs.jpca.2c08993
DO - 10.1021/acs.jpca.2c08993
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C2 - 36988574
AN - SCOPUS:85151350960
SN - 1089-5639
VL - 127
SP - 3246
EP - 3255
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
IS - 14
ER -