A recently proposed variational quantum algorithm has expanded the horizon of variational quantum computing to nonlinear physics and fluid dynamics. In this work, we probe the ability of such approach to capture the ground state of the nonlinear Schr\"odinger equation for a range of parameters on real superconducting quantum processors. Specifically, we study the expressivity of real-amplitude, hardware-efficient Ansatz to capture the ground state of this nonlinear system across various interaction regimes and implement different noise scenarios in both simulators and cloud processors. Our investigation reveals that although quantum hardware noise impairs the evaluation of the energy cost function, certain small instances of the problem consistently converge to the ground state. We test and demonstrate a variety of cases on IBM Q superconducting devices and analyze the discrepancies in the energy cost function evaluation due to quantum hardware noise. These discrepancies are absent in the state fidelity estimation because of the shallow state preparation circuit. Our comprehensive analysis offers valuable insights into the practical implementation and advancement of the variational algorithms for nonlinear problems.
A recently proposed variational quantum algorithm has expanded the horizon of variational quantum computing to nonlinear physics and fluid dynamics. In this work, we probe the ability of such approach to capture the ground state of the nonlinear Schr"odinger equation for a range of parameters on real superconducting quantum processors. Specifically, we study the expressivity of real-amplitude, hardware-efficient Ansatz to capture the ground state of this nonlinear system across various interaction regimes and implement different noise scenarios in both simulators and cloud processors. Our investigation reveals that although quantum hardware noise impairs the evaluation of the energy cost function, certain small instances of the problem consistently converge to the ground state. We test and demonstrate a variety of cases on IBM Q superconducting devices and analyze the discrepancies in the energy cost function evaluation due to quantum hardware noise. These discrepancies are absent in the state fidelity estimation because of the shallow state preparation circuit. Our comprehensive analysis offers valuable insights into the practical implementation and advancement of the variational algorithms for nonlinear problems.
molecule, emphasizing practical implementation and performance on current quantum hardware. Our research presents a comparative study of HEA and UCCSD ansätze on noiseless and noisy simulations and implements VQE on recent IBM quantum computer noise models and a real quantum computer, IBM Fez, providing a fully functional code employing Qiskit 1.2. Our experiments confirm UCCSD's reliability in ideal conditions, while the HEA demonstrates greater robustness to hardware noise, achieving chemical accuracy on state-vector simulation (SVS). The results reveal that achieving ground-state energy within chemical accuracy is feasible without error mitigation during VQE convergence. We demonstrate that current quantum devices effectively optimize circuit parameters despite misestimating simulated energies. The SVS-evaluated energies provide a more accurate representation of the solution quality compared to QPU-estimated energy values, indicating that VQE converges to the correct ground state despite quantum noise. Our study also applies noise mitigation as a postprocessing technique, using zero-noise extrapolation (ZNE) on a real quantum computer. The detailed methodologies presented in this study, including Hamiltonian construction and Fermionic-to-qubit transformations, facilitate flexible adaptation of the VQE approach for various algorithm variants and across different levels of algorithmic implementation.
While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the implementation of the VQE for molecular problems on NISQ devices, specifically applied to estimate the ground state energy of the BeH2 molecule using hardware-efficient and chemically informed ansätze. This work clarifies several under-documented aspects in the literature, such as the construction of the electronic Hamiltonian, the transformation of fermionic operators into qubit operators via second quantization, and the mathematical framework's details for the unitary coupled cluster single and double (UCCSD) ansatz. Our methodology, implemented using Qiskit 1.2, the latest release as of the date of this writing, is demonstrated on a noiseless simulator and further tested with noisy quantum circuits. The resilience of the VQE to quantum noise remains an open question. This study compares the computational accuracy of ground state energy estimations for molecules using the VQE across three different current quantum hardware noise models. Furthermore, our experiment on IBM's 156-qubit actual quantum computer revealed valuable insights on the real performance of the VQE on current quantum hardware.
Abstract Resource-efficient, low-depth implementations of quantum circuits remain a promising strategy for achieving reliable and scalable computation on quantum hardware, as they reduce gate resources and limit the accumulation of noisy operations. Here, we propose a low-depth implementation of a class of Hadamard test circuits, complemented by the development of a parameterized quantum ansatz specifically tailored for variational algorithms that exploit the underlying Hadamard test framework. Our findings demonstrate a significant reduction in single- and two-qubit gate counts, suggesting a reliable circuit architecture for noisy intermediate-scale quantum devices. Building on this foundation, we tested our low-depth scheme to investigate the expressive capacity of the proposed parameterized ansatz in simulating nonlinear Burgers’ dynamics. The resulting variational quantum states faithfully capture the shockwave feature of the turbulent regime and maintain high overlaps with classical benchmarks, underscoring the practical effectiveness of our framework. Furthermore, we evaluate the effect of hardware noise by modeling the error properties of real quantum processors and by executing the variational algorithm on a trapped-ion-based IBEX Q1 device. The outcomes of our demonstrations highlight the resilience of our low-depth scheme in the turbulent regime, consistently preparing high-fidelity variational states that exhibit strong agreement with classical benchmarks. Our work contributes to the advancement of resource-efficient strategies for quantum computation, offering a robust framework for tackling a range of computationally intensive problems across numerous applications.
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the noisy intermediate-scale quantum (NISQ) era. In this study, we investigate the capabilities and limitations of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE). To address the significant computational challenges posed by molecular Hamiltonians, we explore various well known strategies to simplify the Hamiltonian, optimize the ansatz, and improve classical parameter optimization through modifications of the COBYLA optimizer. These enhancements are integrated into a tailored quantum computing implementation designed to minimize the circuit depth and computational cost. Using benzene as a benchmark system, we demonstrate the application of these optimizations on an IBM quantum computer. Despite these improvements, our results highlight the limitations imposed by current quantum hardware, particularly the impact of quantum noise on state preparation and energy measurement. The noise levels in today's devices prevent meaningful evaluations of molecular Hamiltonians with sufficient accuracy to produce reliable quantum chemical insights. Finally, we extrapolate the requirements for future quantum hardware to enable practical and scalable quantum chemistry calculations using VQE algorithms. This work provides an assessment of current quantum algorithms for molecular modeling on real quantum hardware, highlighting the impact of noise and hardware limitations on the achievable accuracy.
Abstract Quantum computers have the potential to help solve a range of physics and chemistry problems, but noise in quantum hardware currently limits our ability to obtain accurate results from the execution of quantum-simulation algorithms. Various methods have been proposed to mitigate the impact of noise on variational algorithms, including several that model the noise as damping expectation values of observables. In this work, we benchmark various methods, including a new method proposed here. We compare their performance in estimating the ground-state energies of several instances of the 1D mixed-field Ising model using the variational-quantum-eigensolver algorithm with up to 20 qubits on two of IBM’s quantum computers. We find that several error-mitigation techniques allow us to recover energies to within 10% of the true values for circuits containing up to about 25 ansatz layers, where each layer consists of CNOT gates between all neighboring qubits and Y -rotations on all qubits.
Variational quantum algorithms are suitable for use on noisy quantum systems. One of the most important use-cases is the quantum simulation of materials, using the variational quantum eigensolver (VQE). To optimize VQE performance, a suitable parameterized quantum circuit (ansatz) must be selected. We investigate a class of ansatze that incorporates knowledge of the quantum hardware, namely the hardware efficient ansatze. The performance of hardware efficient ansatze is affected differently by noise, and our goal is to study the effect of noise on evaluating which ansatz gives more accurate results in practice. First, we study the effect of noise on the different hardware efficient ansatze by benchmarking and ranking the performance of each ansatz family (i) on a chemistry application using VQE and (ii) by the recently established metric of "expressibility". The results demonstrate the ranking of optimal circuits does not remain constant in the presence of noise. Second, we evaluate the suitability of the expressibility measure in this context by performing a correlation study between expressibility and the performance of the same circuits on a chemistry application using VQE. Our simulations reveal a weak correlation and therefore demonstrate that expressibility is not an adequate measure to quantify the effectiveness of parameterized quantum circuits for quantum chemistry. Third, we evaluate the effect of different quantum device noise models on the ordering of which ansatz family is best. Interestingly, we see that to decide which ansatz is optimal for use, one needs to consider the specific hardware used even within the same family of quantum hardware.