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arXiv:2210.11181

Restoring broken symmetries using oracles

Edgar Andres Ruiz Guzman, Denis Lacroix A

Published Oct 20, 2022• 0 citations
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Abstract

We present a new method to perform variation after projection in many-body systems on quantum computers that does not require performing explicit projection. The technique employs the notion of ``oracle'', generally used in quantum search algorithms. We show how to construct the oracle and the projector associated with a symmetry operator. The procedure is illustrated for the parity, particle number, and total spin symmetries. The oracle is used to restore symmetry by indirect measurements using a single ancillary qubit. An Illustration of the technique is made to obtain the approximate ground state energy for the pairing model Hamiltonian.

DOI
10.48550/arxiv.2210.11181

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We present a new method to perform variation after projection in many-body systems on quantum computers that does not require performing explicit projection. The technique employs the notion of ``oracle'', generally used in quantum search algorithms. We show how to construct the oracle and the projector associated with a symmetry operator. The procedure is illustrated for the parity, particle number, and total spin symmetries. The oracle is used to restore symmetry by indirect measurements using a single ancillary qubit. An Illustration of the technique is made to obtain the approximate ground state energy for the pairing model Hamiltonian.
We present a new method to perform variation after projection in many-body systems on quantum computers that does not require performing explicit projection. The technique employs the notion of ``oracle'', generally used in quantum search algorithms. We show how to construct the oracle and the projector associated with a symmetry operator. The procedure is illustrated for the parity, particle number, and total spin symmetries. The oracle is used to restore symmetry by indirect measurements using a single ancillary qubit. An illustration of the technique is made to obtain the approximate ground state energy for the pairing model Hamiltonian.
We explore the possibility to perform symmetry restoration with the variation after projection technique on a quantum computer followed by additional postprocessing. The final goal is to develop configuration interaction techniques based on many-body trial states preoptimized on a quantum computer. We show how the projection method used for symmetry restoration can prepare optimized states that could then be employed as initial states for quantum or hybrid quantum-classical algorithms. We use the quantum phase estimation and the quantum Krylov approaches for the postprocessing. The latter method combined with the quantum variation after projection leads to very fast convergence toward the ground-state energy. The possibility to access excited states energies is also discussed. Illustrations of the different techniques are made using the pairing Hamiltonian.
This thesis explores the application of the Symmetry-Breaking/Symmetry-Restoration methodology on quantum computers to better approximate a Hamiltonian's ground state energy within a variational framework in many-body physics. This involves intentionally breaking and restoring the symmetries of the wave function ansatz at different stages of the variational search for the ground state. The Variational Quantum Eigensolver (VQE) is utilized for the variational component together with an ansatz inspired by the Bardeen-Cooper-Schrieffer (BCS) theory. The applications were demonstrated using the pairing and Hubbard Hamiltonians. Two approaches were identified with the VQE method: varying the symmetry-breaking ansatz parameters before or after symmetry restoration, termed Quantum Projection After Variation and Quantum Variation After Projection, respectively. The main contribution of this thesis was the development of a variety of symmetry restoration techniques based on the principles of the Quantum Phase Estimation algorithm, the notion of a Quantum "Oracle," and the Classical Shadow formalism. In the final part, hybrid quantum-classical techniques were introduced to extract an approximation of the low-lying spectrum of a Hamiltonian. Assuming accurate Hamiltonian moment extraction from their generating function with a quantum computer, two methods were presented for spectral analysis: the t-expansion method and the Krylov method, which provides, in particular, information about the evolution of the survival probability. Furthermore, the Quantum Krylov method was introduced, offering similar insights without the need to estimate Hamiltonian moments, a task that can be difficult on near-term quantum computers.
We explore the possibility to perform symmetry restoration with the variation after projection technique on a quantum computer followed by additional post-processing. The final goal is to develop configuration interaction techniques based on many-body trial states pre-optimized on a quantum computer. We show how the projection method used for symmetry restoration can prepare optimized states that could then be employed as initial states for quantum or hybrid quantum-classical algorithms. We use the quantum phase estimation and quantum Krylov approaches for the post-processing. The latter method combined with the quantum variation after projection (Q-VAP) leads to very fast convergence towards the ground-state energy. The possibility to access excited states energies is also discussed. Illustrations of the different techniques are made using the pairing hamiltonian.
Solving the electronic structure problem on a universal-gate quantum computer within the variational quantum eigensolver (VQE) methodology requires constraining the search procedure to a subspace defined by relevant physical symmetries. Ignoring symmetries results in convergence to the lowest eigenstate of the Fock space for the second quantized electronic Hamiltonian. Moreover, this eigenstate can be symmetry broken due to limitations of the wavefunction ansatz. To address this VQE problem, we introduce and assess methods of exact and approximate projectors to irreducible eigensubspaces of available physical symmetries. Feasibility of symmetry projectors in the VQE framework is discussed, and their efficiency is compared with symmetry constraint optimization procedures. Generally, projectors introduce a higher number of terms for VQE measurement compared to the constraint approach. On the other hand, the projection formalism improves accuracy of the variational wavefunction ansatz without introducing additional unitary transformations, which is beneficial for reducing depths of quantum circuits.
Starting from the quantum-phase-estimate (QPE) algorithm, a method is proposed to construct entangled states that describe correlated many-body systems on quantum computers. Using operators for which the discrete set of eigenvalues is known, the QPE approach is followed by measurements that serve as projectors on the entangled states. These states can then be used as inputs for further quantum or hybrid quantum-classical processing. When the operator is associated with a symmetry of the Hamiltonian, the approach can be seen as a quantum-computer formulation of symmetry breaking followed by symmetry restoration. The method, called discrete spectra assisted, is applied to superfluid systems. By using the blocking technique adapted to qubits, the full spectra of a pairing Hamiltonian is obtained.