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arXiv:2204.01113 · New Journal of Physics

Spectral estimation for Hamiltonians: a comparison between classical imaginary-time evolution and quantum real-time evolution

Maarten Stroeks, Jonas Helsen, Barbara M. Terhal

Published Sep 13, 2022• 8 citations
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Abstract

Abstract We consider the task of spectral estimation of local quantum Hamiltonians. The spectral estimation is performed by estimating the oscillation frequencies or decay rates of signals representing the time evolution of states. We present a classical Monte Carlo (MC) scheme which efficiently estimates an imaginary-time, decaying signal for stoquastic (i.e. sign-problem-free) local Hamiltonians. The decay rates in this signal correspond to Hamiltonian eigenvalues (with associated eigenstates present in an input state) and can be extracted using a classical signal processing method like ESPRIT. We compare the efficiency of this MC scheme to its quantum counterpart in which one extracts eigenvalues of a general local Hamiltonian from a real-time, oscillatory signal obtained through quantum phase estimation circuits, again using the ESPRIT method. We prove that the ESPRIT method can resolve S = poly( n ) eigenvalues, assuming a 1/poly( n ) gap between them, with poly( n ) quantum and classical effort through the quantum phase estimation (QPE) circuits, assuming efficient preparation of the input state. We prove that our MC scheme plus the ESPRIT method can resolve S = O (1) eigenvalues, assuming a 1/poly( n ) gap between them, with poly( n ) purely classical effort for stoquastic Hamiltonians, requiring some access structure to the input state. However, we also show that under these assumptions, i.e. S = O (1) eigenvalues, assuming a 1/poly( n ) gap between them and some access structure to the input state, one can achieve this with poly( n ) purely classical effort for general local Hamiltonians. These results thus quantify some opportunities and limitations of MC methods for spectral estimation of Hamiltonians. We numerically compare the MC eigenvalue estimation scheme (for stoquastic Hamiltonians) and the quantum-phase-estimation-based eigenvalue estimation scheme by implementing them for an archetypal stoquastic Hamiltonian system: the transverse field Ising chain.

DOI
10.1088/1367-2630/ac919c

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Abstract We consider the task of spectral estimation of local quantum Hamiltonians. The spectral estimation is performed by estimating the oscillation frequencies or decay rates of signals representing the time evolution of states. We present a classical Monte Carlo (MC) scheme which efficiently estimates an imaginary-time, decaying signal for stoquastic (i.e. sign-problem-free) local Hamiltonians. The decay rates in this signal correspond to Hamiltonian eigenvalues (with associated eigenstates present in an input state) and can be extracted using a classical signal processing method like ESPRIT. We compare the efficiency of this MC scheme to its quantum counterpart in which one extracts eigenvalues of a general local Hamiltonian from a real-time, oscillatory signal obtained through quantum phase estimation circuits, again using the ESPRIT method. We prove that the ESPRIT method can resolve S = poly( n ) eigenvalues, assuming a 1/poly( n ) gap between them, with poly( n ) quantum and classical effort through the quantum phase estimation (QPE) circuits, assuming efficient preparation of the input state. We prove that our MC scheme plus the ESPRIT method can resolve S = O (1) eigenvalues, assuming a 1/poly( n ) gap between them, with poly( n ) purely classical effort for stoquastic Hamiltonians, requiring some access structure to the input state. However, we also show that under these assumptions, i.e. S = O (1) eigenvalues, assuming a 1/poly( n ) gap between them and some access structure to the input state, one can achieve this with poly( n ) purely classical effort for general local Hamiltonians. These results thus quantify some opportunities and limitations of MC methods for spectral estimation of Hamiltonians. We numerically compare the MC eigenvalue estimation scheme (for stoquastic Hamiltonians) and the quantum-phase-estimation-based eigenvalue estimation scheme by implementing them for an archetypal stoquastic Hamiltonian system: the transverse field Ising chain.
Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.
Extracting energy spectra from quantum Hamiltonians is a fundamental task for quantum simulation, yet remains challenging on noisy intermediate-scale quantum (NISQ) devices. We propose Measured Quantum Time Evolution (MQTE), an ancilla-free algorithm that estimates energy gaps by applying real-time evolution to a reference state and measuring time-resolved probabilities via repeated projective measurements. Spectral analysis of these signals reveals oscillation frequencies corresponding to eigenvalue differences. Crucially, MQTE exhibits inherent robustness to quantum hardware noise and sampling errors: these disturbances manifest as a white-noise background, which does not distort the underlying spectral structure but rather obscures the frequency information. By increasing the number of measurement samples, the intensity of the background white noise can be suppressed, thereby recovering the original spectral content. We validate the algorithm's performance via numerical simulations on one- and two-dimensional Heisenberg models, demonstrating accurate extraction of energy gaps and resilience against both sampling and circuit-level noise. Experimental implementation on the superconducting quantum processor Tianyan-176-II further confirms the practical feasibility and noise tolerance of MQTE under real hardware conditions. This work provides a robust and scalable framework for quantum spectral estimation in the NISQ era.
Abstract We present an efficient method for estimating the eigenvalues of a Hamiltonian H from the expectation values of the evolution operator for various times. For a given quantum state ρ , our method outputs a list of eigenvalue estimates and approximate probabilities. Each probability depends on the support of ρ in those eigenstates of H associated with eigenvalues within an arbitrarily small range. The complexity of our method is polynomial in the inverse of a given precision parameter ϵ , which is the gap between eigenvalue estimates. Unlike the well-known quantum phase estimation algorithm that uses the quantum Fourier transform, our method does not require large ancillary systems, large sequences of controlled operations, or preserving coherence between experiments, and is therefore more attractive for near-term applications. The output of our method can be used to estimate spectral properties of H and other expectation values efficiently, within additive error proportional to ϵ .
Estimating the eigenvalue or energy gap of a Hamiltonian H is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed matter physics, and nuclear physics investigate the energy gap between two eigenstates. Hence, how to efficiently solve the energy gap becomes an important motive for researching new quantum algorithms. In this work, we propose a hybrid non-variational quantum algorithm that uses the Monte Carlo method and real-time Hamiltonian simulation to evaluate the energy gap of a general quantum many-body system. Compared to conventional approaches, our algorithm does not require controlled real-time evolution, thus making its implementation much more experimental-friendly. Since our algorithm is non-variational, it is also free from the "barren plateaus" problem. To verify the efficiency of our algorithm, we conduct numerical simulations for the Heisenberg model and molecule systems on a classical emulator.
Estimating the eigenvalue or energy gap of a Hamiltonian HHH is vital for studying quantum many-body systems. Particularly, many of the problems in quantum chemistry, condensed-matter physics, and nuclear physics investigate the energy gap between two eigenstates. Hence, how to efficiently solve the energy gap becomes an important motive for researching new quantum algorithms. In this work, we propose a hybrid nonvariational quantum algorithm that uses the Monte Carlo method and real-time Hamiltonian simulation to evaluate the energy gap of a general quantum many-body system. Compared to conventional approaches, our algorithm does not require controlled real-time evolution, thus making its implementation much more experimental friendly for near-term quantum devices and early fault-tolerant quantum computers. To verify the efficiency of our algorithm, we conduct numerical simulations for the Heisenberg model and molecule systems on a classical emulator.
Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary evolution conditioned on the state of one or more auxiliary qubits, posing a significant challenge for current quantum devices. In this work, we present an approach to quantum phase estimation that uses only locally controlled operations, resulting in a significantly reduced circuit depth. At the heart of our approach are efficient routines to measure the complex phase of the expectation value of the time-evolution operator, the so-called Loschmidt echo, for both circuit dynamics and Hamiltonian dynamics. By tracking changes in the phase during the dynamics, the routines trade circuit depth for increased sampling cost and classical postprocessing. Our approach does not rely on reference states and is applicable to any efficiently preparable state, regardless of its correlations. We provide a comprehensive analysis of the sample complexity and illustrate the results with numerical simulations. Our methods offer a practical pathway for measuring spectral properties in large many-body quantum systems using current quantum devices.