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Physical Review A

Non-Hermitian ground-state-searching algorithm enhanced by a variational toolbox

Yuqin Chen, Shi‐Xin Zhang, Chang‐Yu Hsieh, Shengyu Zhang

Published Apr 14, 2023• 4 citations
Publisher

Abstract

Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an approach to simulate dissipative non-Hermitian Hamiltonian quantum dynamics using Hamiltonian simulation techniques to efficiently recover the ground state of a target Hamiltonian. The proposed method facilitates the energy transfer by repeatedly projecting ancilla qubits to the desired state, rendering the effective non-Hermitian Hamiltonian evolution on the system qubits. To make the method more resource friendly in the noisy intermediate-scale quantum (NISQ) and early fault-tolerant era, we combine the non-Hermitian projection algorithm with multiple variational gadgets, including variational module enhancement and variational state recording, to reduce the required circuit depth and avoid the exponentially vanishing success probability for postselections. We compare our method, the non-Hermitian-variational algorithm, with a pure variational method, the quantum approximate optimization algorithm (QAOA), for solving the 3-SAT problem and preparing the ground state for the transverse field Ising model. As demonstrated by numerical evidence, the non-Hermitian-variational algorithm outperforms QAOA in convergence speed with improved quantum resource efficiency.

DOI
10.1103/physreva.107.042418

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Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an approach to simulate dissipative non-Hermitian Hamiltonian quantum dynamics using Hamiltonian simulation techniques to efficiently recover the ground state of a target Hamiltonian. The proposed method facilitates the energy transfer by repeatedly projecting ancilla qubits to the desired state, rendering the effective non-Hermitian Hamiltonian evolution on the system qubits. To make the method more resource friendly in the noisy intermediate-scale quantum (NISQ) and early fault-tolerant era, we combine the non-Hermitian projection algorithm with multiple variational gadgets, including variational module enhancement and variational state recording, to reduce the required circuit depth and avoid the exponentially vanishing success probability for postselections. We compare our method, the non-Hermitian-variational algorithm, with a pure variational method, the quantum approximate optimization algorithm (QAOA), for solving the 3-SAT problem and preparing the ground state for the transverse field Ising model. As demonstrated by numerical evidence, the non-Hermitian-variational algorithm outperforms QAOA in convergence speed with improved quantum resource efficiency.
Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an approach to simulate dissipative non-Hermitian Hamiltonian quantum dynamics using Hamiltonian simulation techniques to efficiently recover the ground state of a target Hamiltonian. The proposed method facilitates the energy transfer by repeatedly projecting ancilla qubits to the desired state, rendering the effective non-Hermitian Hamiltonian evolution on the system qubits. To make the method more resource friendly in the noisy intermediate-scale quantum (NISQ) and early fault-tolerant era, we combine the non-Hermitian projection algorithm with multiple variational gadgets, including variational module enhancement and variational state recording, to reduce the required circuit depth and avoid the exponentially vanishing success probability for post-selections. We compare our method, the non-Hermitian-variational algorithm, with a pure variational method -- QAOA for solving the 3-SAT problem and preparing the ground state for the transverse-field Ising model. As demonstrated by numerical evidence, the non-Hermitian-variational algorithm outperforms QAOA in convergence speed with improved quantum resource efficiency.
Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems --- Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a particular 16 qubit 2D J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.
Under suitable assumptions, the algorithms in [Lin, Tong, Quantum 2020] can estimate the ground state energy and prepare the ground state of a quantum Hamiltonian with near-optimal query complexities. However, this is based on a block encoding input model of the Hamiltonian, whose implementation is known to require a large resource overhead. We develop a tool called quantum eigenvalue transformation of unitary matrices with real polynomials (QET-U), which uses a controlled Hamiltonian evolution as the input model, a single ancilla qubit and no multi-qubit control operations, and is thus suitable for early fault-tolerant quantum devices. This leads to a simple quantum algorithm that outperforms all previous algorithms with a comparable circuit structure for estimating the ground state energy. For a class of quantum spin Hamiltonians, we propose a new method that exploits certain anti-commutation relations and further removes the need of implementing the controlled Hamiltonian evolution. Coupled with Trotter based approximation of the Hamiltonian evolution, the resulting algorithm can be very suitable for early fault-tolerant quantum devices. We demonstrate the performance of the algorithm using IBM Qiskit for the transverse field Ising model. If we are further allowed to use multi-qubit Toffoli gates, we can then implement amplitude amplification and a new binary amplitude estimation algorithm, which increases the circuit depth but decreases the total query complexity. The resulting algorithm saturates the near-optimal complexity for ground state preparation and energy estimating using a constant number of ancilla qubits (no more than 3).
Quantum simulation of open quantum systems in the noisy intermediate-scale quantum (NISQ) era is hindered by the non-unitary nature of dissipative dynamics and the limited quantum resources available on near-term quantum processors. In this work, we propose a resource-efficient algorithm for simulating Lindbladian dynamics on NISQ devices. For open quantum systems with Pauli dissipations, we first derive a compact and stable mixed-unitary adjoint channel that approximates the target dissipative dynamics and enables ancilla-free implementation through trajectory sampling. To further reduce the circuit depth required for implementing the sampled trajectories, we introduce an adaptive variational quantum trajectory compression framework. In this framework, a depth-adaptive parameterized quantum circuit is trained to approximate repeated Trotterized Hamiltonian simulation operators, which are then used to replace repeated unitary segments appearing in the sampled trajectories. Importantly, the training procedure can also be performed without auxiliary qubits. Numerical simulations of the dissipative quantum XYXYXY model demonstrate the accuracy and resource efficiency of the proposed algorithm. Our results provide a practical route toward ancilla-free and depth-reduced simulation of open quantum systems on near-term quantum hardware.
Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians. Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems. Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Snapshot-QAOA retains the desirable variational-algorithm qualities of QAOA such as a small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. In this way, the cost of the quantum Hamiltonian is encoded by the phase separator to address the diagonal terms in the problem Hamiltonian and by the mixer to address the non-diagonal terms in the problem Hamiltonian. We focus on QAOA with the transverse field mixer, and thus simulations of quantum Hamiltonians that contain single-site Pauli-X terms. By measuring the expectation value of the system in both X and Z-basis, we can estimate the ground-state energy of transverse field quantum Hamiltonians. The accuracy of ground-state energy finding with snapshot-QAOA is evaluated using extensive numerical simulations on a 16 qubit J1-J2 frustrated transverse field Ising model.
We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems; Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a 16 qubit J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.