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arXiv:2506.12381

State-Based Quantum Simulation of Imaginary-Time Evolution

S. Alipour, Teemu Ojanen

Published Jun 14, 2025• 0 citations
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Abstract

Imaginary time evolution is a powerful technique for computing the ground state of quantum Hamiltonians, where the convergence to ground state in asymptotic imaginary time is guaranteed. However, implementing this method on quantum computers is challenging due to its nonunitary nature. Here, we propose a fully quantum approach for simulation of imaginary time evolutions which eliminates the need for intermediate classical computation or state tomography. Our method leverages the recently introduced state-based quantum simulation technique, in which using quantum states besides quantum gates allows to simulate a broader class of evolutions beyond the natural quantum dynamics. Specifically, we demonstrate how by using a set of quantum states and by applying only controlled-SWAP gates and measurements, one can simulate the nonunitary imaginary time evolution. We illustrate our results in an example.

DOI
10.48550/arxiv.2506.12381

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Imaginary time evolution is a powerful technique for computing the ground state of quantum Hamiltonians, where the convergence to ground state in asymptotic imaginary time is guaranteed. However, implementing this method on quantum computers is challenging due to its nonunitary nature. Here, we propose a fully quantum approach for simulation of imaginary time evolutions which eliminates the need for intermediate classical computation or state tomography. Our method leverages the recently introduced state-based quantum simulation technique, in which using quantum states besides quantum gates allows to simulate a broader class of evolutions beyond the natural quantum dynamics. Specifically, we demonstrate how by using a set of quantum states and by applying only controlled-SWAP gates and measurements, one can simulate the nonunitary imaginary time evolution. We illustrate our results in an example.
There is increasing interest in quantum algorithms (QAs) that are based on the imaginary time evolution (ITE), a successful classical numerical approach to obtain ground states. However, most of the proposals so far require heavy postprocessing computational steps on a classical computer, such as solving linear equations. Here we provide an alternative approach to implement ITE. A key feature in our approach is the use of an orthogonal basis set: the propagated state is efficiently expressed in terms of orthogonal basis states at every step of the evolution. We argue that the number of basis states needed at those steps to achieve an accurate solution can be kept on the order of nnn, the number of qubits, by controlling the precision (number of significant digits) and the imaginary time increment. The number of quantum gates per imaginary time step is estimated to be polynomial in nnn. Additionally, while in many QAs the locality of the Hamiltonian is a key assumption, in our algorithm this restriction is not required. This characteristic of our algorithm renders it useful for studying highly nonlocal systems, such as the occupation-representation nuclear shell model. We illustrate our algorithm through numerical implementation on an IBM quantum simulator.
Quantum computing employs controllable interactions to perform sequences of logical gates and entire algorithms on quantum registers. This paradigm has been widely explored, e.g., for simulating dynamics of manybody systems by decomposing their Hamiltonian evolution in a series of quantum gates. Here, we introduce a method for quantum simulation in which the Hamiltonian is decomposed in terms of states and the resulting evolution is realized by only controlled-swap gates and measurements applied on a set of auxiliary systems whose quantum states define the system dynamics. These auxiliary systems can be identically prepared in an arbitrary number of copies of known states at any intermediate time. This parametrization of the quantum simulation goes beyond traditional gate-based methods and permits simulation of, e.g., state-dependent (nonlinear) Hamiltonians and open quantum systems. We show how classical nonlinear and time-delayed ordinary differential equations can be simulated with the state-based method, and how a nonlinear variant of shortcut to adiabaticity permits adiabatic quantum computation, preparation of eigenstates, and solution of optimization tasks.
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.
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Efficient low-energy state preparation is a key objective in quantum computation and quantum simulation. Quantum imaginary-time evolution replaces real-time dynamics with imaginary-time dynamics, exponentially suppressing higher-energy eigenstates. We introduce deterministic unitary protocols that approximate imaginary-time evolution for ground state preparation. The protocols require multiple copies of the system, real-time evolution under the system Hamiltonian, and controlled-SWAP operations (or more general SWAP-generated unitaries). Our analysis focuses on two concrete circuit families: a tree architecture with provable polynomial-in-depth convergence but rapidly growing width, and a compact "hedge" architecture that achieves comparable accuracy with only polynomial width in a heuristic construction supported by numerics. Numerical evidence indicates that mid-circuit post-selection can accelerate convergence with practical success probabilities. Separately, we demonstrate that circuit volume can be traded for the shot complexity of post-circuit observable estimation in the ground state preparation setting. Finally, we outline concrete platform-specific implementations in which multi-copy registers and SWAP-mediated couplings are natural, illustrating how these hybrid analog-digital circuits can complement existing state-preparation methods in the near term.
Evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter, and nuclear physics. We propose an algorithm to implement imaginary time propagation on a quantum computer. Our algorithm is devised in the context of an efficient encoding into an optimized gate, drawing on the underlying characteristics of the quantum device of a unitary operation in an extended Hilbert space. However, we prove that for simple problems it can also be successfully applied to standard digital quantum machines. This work paves the way for porting quantum many-body methods based on imaginary-time propagation to near-term quantum devices, enabling the future quantum simulation of the ground states of a broad class of microscopic systems.