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arXiv:2210.05293

A Probabilistic Imaginary Time Evolution Algorithm Based on Non-unitary Quantum Circuit

Hao-Nan Xie, Wei, Shi-Jie, Fan Yang, Zheng‐An Wang, Chi-Tong Chen, Heng Fan, Gui‐Lu Long

Published Oct 11, 2022• 2 citations
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Abstract

Imaginary time evolution is a powerful tool applied in quantum physics, while existing classical algorithms for simulating imaginary time evolution suffer high computational complexity as the quantum systems become larger and more complex. In this work, we propose a probabilistic algorithm for implementing imaginary time evolution based on non-unitary quantum circuit. We demonstrate the feasibility of this method by solving the ground state energy of several quantum many-body systems, including H2, LiH molecules and the quantum Ising chain. Moreover, we perform experiments on superconducting and trapped ion cloud platforms respectively to find the ground state energy of H2 and its most stable molecular structure. We also analyze the successful probability of the algorithm, which is a polynomial of the output error and introduce an approach to increase the success probability by rearranging the terms of Hamiltonian.

DOI
10.48550/arxiv.2210.05293

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Imaginary time evolution is a powerful tool applied in quantum physics, while existing classical algorithms for simulating imaginary time evolution suffer high computational complexity as the quantum systems become larger and more complex. In this work, we propose a probabilistic algorithm for implementing imaginary time evolution based on non-unitary quantum circuit. We demonstrate the feasibility of this method by solving the ground state energy of several quantum many-body systems, including H2, LiH molecules and the quantum Ising chain. Moreover, we perform experiments on superconducting and trapped ion cloud platforms respectively to find the ground state energy of H2 and its most stable molecular structure. We also analyze the successful probability of the algorithm, which is a polynomial of the output error and introduce an approach to increase the success probability by rearranging the terms of Hamiltonian.
Imaginary-time evolution is a powerful tool in the study of quantum physics. However, existing classical algorithms for simulating imaginary-time evolution suffer from high computational complexity as the dimension of the quantum system increases. In this study we propose a quantum algorithm for implementing imaginary-time evolution using nonunitary quantum circuits with one ancillary qubit. The success probability of our algorithm is a polynomial function of the output error and can be enhanced by reorganizing the terms of the Hamiltonian. To illustrate the practicality of our algorithm on current quantum devices, we conduct a demonstration on superconducting and trapped-ion quantum processors to calculate the ground-state energy and determine the most stable molecular structure of H2{\mathrm{H}}_{2}H2​. Additionally, we validate the feasibility of our algorithm by numerically simulating the ground-state energies of LiH molecules and the quantum Ising chain. In contrast to existing algorithms, our method provides a systematic approach to construct the required nonunitary circuits using universal quantum gates, making it suitable for experimental implementation. Our algorithm opens up possibilities for exploring other physical phenomena such as finite-temperature properties and non-Hermitian systems.
Imaginary-time evolution is a powerful tool for obtaining the ground state of a quantum system, but the complexity of classical algorithms designed for simulating imaginary-time evolution will increase significantly as the size of the quantum system becomes larger. Here, a probabilistic quantum algorithm based on Taylor expansion for implementing imaginary-time evolution is introduced. For Hamiltonians composed of Pauli product terms, the quantum circuit requires only a single ancillary qubit and is exclusively constructed using elementary single-qubit and two-qubit gates. Furthermore, similar principles are used to extend the algorithm to the case where the Hamiltonian takes a more general form. The algorithm only requires negligible precomputed numerical calculations, without the need for complex classical pre-mathematical calculations or optimization loops. We demonstrate the algorithm by solving the ground state energy of hydrogen molecules and Heisenberg Hamiltonians. Moreover, we conducted experiments on real quantum computers through the quantum cloud platform to find the ground state energy of Heisenberg Hamiltonians. Our work extends the methods for realizing imaginary-time evolution on quantum computers, and our algorithm exhibits potential for implementation on near-term quantum devices, particularly when the Hamiltonian consists of Pauli product terms.
Abstract Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum computers can efficiently simulate quantum systems, but not non-unitary imaginary time evolution. We propose a variational algorithm for simulating imaginary time evolution on a hybrid quantum computer. We use this algorithm to find the ground-state energy of many-particle systems; specifically molecular hydrogen and lithium hydride, finding the ground state with high probability. Our method can also be applied to general optimisation problems and quantum machine learning. As our algorithm is hybrid, suitable for error mitigation and can exploit shallow quantum circuits, it can be implemented with current quantum computers.
Abstract Imaginary-time evolution is fundamental for analyzing quantum many-body systems, with applications spanning quantum chemistry, condensed matter physics, and quantum field theory, yet classical simulation requires exponentially growing resources in both system size and evolution time. While quantum approaches reduce the system-size scaling, existing methods rely on heuristic techniques with measurement precision or success probability that deteriorates as evolution time increases. We present a quantum algorithm that prepares normalized imaginary-time evolved states using an adaptive normalization factor to maintain a stable success probability over long imaginary-time intervals. Our algorithm approximates the target state with error polynomially small in the inverse imaginary time using a polynomial number of elementary quantum gates and a single ancilla qubit, with success probability close to one. When the initial state has reasonable overlap with the ground state, this algorithm also achieves polynomial query complexity in the system size. To our knowledge, this is the first quantum algorithm for imaginary-time evolution with provably polynomial resource scaling in evolution time. Numerical experiments validate our theoretical analysis for evolution time up to 50, demonstrating the algorithm’s effectiveness for long-time evolution. Building on this technique, we further develop imaginary-time-evolution-based algorithms for ground-state-related problems and for simulating open quantum systems. These algorithms can reduce circuit depth in certain regimes compared with existing methods, at the expense of higher total query complexity, advancing the practical feasibility of quantum simulation on early fault-tolerant devices.
Abstract Imaginary-time evolution plays an important role in many areas of quantum physics and has been widely applied to the ground-state determination of various Hamiltonian in the quantum computation field. In this work, we propose an iteration-free quantum algorithm in a full gate-based frame using the approximate unitary expansion to simulate the imaginary-time evolution operator, avoiding the resource overhead caused by repeated measurement for state reconstruction or complex pre-calculations in the classical computers. We detail the algorithm and analyze the complexity and related characteristics including a lower bound for ancillary qubits at a given success probability. Then an application demonstration of the algorithm in quantum chemistry with hydrogen molecule under noiseless and noisy conditions is offered. In addition, we present another imaginary-time evolution simulation method based on similar construction schemes. Our algorithms can serve as the alternative proposals for the imaginary-time evolution realization in the future fault-tolerant quantum computers.
Imaginary-time evolution (ITE) is a foundational method for ground state preparation on quantum computers. However, because ITE is non-unitary, existing implementations incur a sample complexity and/or classical cost that scales exponentially with the target imaginary time βββ. Moreover, the state itself converges slower than the energy, making accurate estimation of arbitrary ground state observables even more expensive. In this work, we improve upon standard ITE by introducing twirled imaginary-time evolution (TITE), which pairs ITE with real-time evolution applied for a random duration drawn from a carefully designed distribution. We prove that this randomization quadratically suppresses the trace distance to the ground state, and thus also the error of arbitrary observables, which allows roughly half of the imaginary time to be replaced with real-time evolution (β↦β/2β\mapsto β/2β↦β/2) while maintaining the same level of accuracy. Because real-time evolution is unitary and does not incur an overhead in sample complexity or classical computation, this affords a quadratic reduction in the cost of any black-box ITE implementation, including Trotterization and quantum imaginary-time evolution. We demonstrate the efficiency of our algorithm in noisy circuit-level simulations of a non-integrable Ising chain, showing substantial improvements over standard ITE.