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arXiv:2502.19809

Applications of the Quantum Phase Difference Estimation Algorithm to the Excitation Energies in Spin Systems on a NISQ Device

Paul, Boni, Sudhindu Bikash Mandal, Kenji Sugisaki, B. P. Das

Published Feb 27, 2025• 0 citations
arXivHTMLPDF

Abstract

The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum superposition of two eigenstates. Unlike QPE, QPDE is free of controlled-unitary operations, and is suitable for calculations on noisy intermediate-scale quantum (NISQ) devices. We present the implementation and verification of a novel early fault-tolerant QPDE algorithm for determining energy gaps across diverse spin system configurations using NISQ devices. The algorithm is applied to the systems described by two and three-spin Heisenberg Hamiltonians with different geometric arrangements and coupling strengths, including symmetric, asymmetric, spin-frustrated, and non-frustrated configurations. By leveraging the match gate-like structure of the time evolution operator of Heisenberg Hamiltonian, we achieve constant-depth quantum circuits suitable for NISQ hardware implementation. Our results on IBM quantum processors show remarkable accuracy ranging from 85\% to 93\%, demonstrating excellent agreement with classical calculations even in the presence of hardware noise. The methodology incorporates sophisticated quantum noise suppression techniques, including Pauli Twirling and Dynamical Decoupling, and employs an adaptive framework. Our findings demonstrate the practical viability of the QPDE algorithm for quantum many-body simulations on current NISQ hardware, establishing a robust framework for future applications.

DOI
10.48550/arxiv.2502.19809

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The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum superposition of two eigenstates. Unlike QPE, QPDE is free of controlled-unitary operations, and is suitable for calculations on noisy intermediate-scale quantum (NISQ) devices. We present the implementation and verification of a novel early fault-tolerant QPDE algorithm for determining energy gaps across diverse spin system configurations using NISQ devices. The algorithm is applied to the systems described by two and three-spin Heisenberg Hamiltonians with different geometric arrangements and coupling strengths, including symmetric, asymmetric, spin-frustrated, and non-frustrated configurations. By leveraging the match gate-like structure of the time evolution operator of Heisenberg Hamiltonian, we achieve constant-depth quantum circuits suitable for NISQ hardware implementation. Our results on IBM quantum processors show remarkable accuracy ranging from 85% to 93%, demonstrating excellent agreement with classical calculations even in the presence of hardware noise. The methodology incorporates sophisticated quantum noise suppression techniques, including Pauli Twirling and Dynamical Decoupling, and employs an adaptive framework. Our findings demonstrate the practical viability of the QPDE algorithm for quantum many-body simulations on current NISQ hardware, establishing a robust framework for future applications.
Accurate calculation of spin-state energy gaps is central to spin chemistry. The novel Quantum Phase Difference Estimation (QPDE) algorithm enables direct computation of energy gaps on a quantum computer. However, the required quantum circuits are typically too deep for noisy intermediate-scale quantum (NISQ) devices. In this study, as an initial step toward practical calculations for strongly correlated molecular multi-spin systems, we applied QPDE to two- and three-spin Heisenberg Hamiltonians with various geometries and coupling strengths, including symmetric, asymmetric, spin-frustrated, and non-frustrated configurations. We found that the quantum circuit for the time-evolution operator achieves constant depth due to its match gate-like structure, making it well-suited for NISQ implementation. Proof-of-principle hardware demonstrations using an IBM quantum processor yielded 85%-96% accuracy in determining spin-state energy gaps.
We develop an energy calculation algorithm leveraging quantum phase difference estimation (QPDE) scheme and a tensor-network-based unitary compression method in the preparation of superposition states and time-evolution gates. Alongside its efficient implementation, this algorithm reduces depolarization noise affections exponentially. We demonstrated energy gap calculations for one-dimensional Hubbard models on IBM superconducting devices using circuits up to 32-system (plus one-ancilla) qubits, a five-fold increase over previous Quantum phase estimation (QPE) demonstrations, at the 7242 controlled-Z gate level of standard transpilation, utilizing a Q-CTRL error suppression module. Additionally, we propose a technique toward molecular executions using spatial orbital localization and index sorting, verified linear polyene simulations up to 21 qubits. Since QPDE can handle the same objectives as QPE, our algorithm represents a leap forward in quantum computing on real devices.
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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.
Quantum phase estimation (QPE) is one of the core algorithms for quantum computing. It has been extensively studied and applied in a variety of quantum applications such as the Shor's factoring algorithm, quantum sampling algorithms and the calculation of the eigenvalues of unitary matrices. The QPE algorithm has been combined with Kitaev's algorithm and the inverse quantum Fourier transform (IQFT) which are utilized as a fundamental component of such quantum algorithms. In this paper, we explore the computational challenges of implementing QPE algorithms on noisy intermediate-scale quantum (NISQ) machines using the IBM Q Experience (e.g., the IBMQX4, 5-qubit quantum computing hardware platform). Our experimental results indicate that the accuracy of finding the phase using these QPE algorithms is severely constrained by the NISQ computer's physical characteristics such as coherence time and error rates. To mitigate these physical limitations, we propose implementing a modified solution by reducing the number of controlled rotation gates and phase shift operations, thereby increasing the accuracy of the finding phase in near-term quantum computers.
We present a comprehensive and pedagogical study of two core quantum algorithms in quantum linear algebra: the Hadamard test (HT) and quantum phase estimation (QPE). Building on Prof. Lin's lecture notes on Quantum Algorithms for Scientific Computing, we detail their mathematical formulations, circuit implementations, and convergence behavior. Both algorithms are benchmarked on simulators and IBM's 127-qubit Eagle processor (ibm rensselaer) using a simple eigenvalue problem. While QPE performs well in simulation, its hardware performance degrades beyond t = 3 ancilla qubits due to circuit depth and two-qubit gate noise. In contrast, HT shows stable, sampling-based convergence and greater resilience to hardware noise. We further apply QPE to the transversefield Ising model (TFIM), demonstrating the importance of ansatz quality for accurate ground state energy estimation. These results provide a realistic baseline for implementing phase estimation on noisy intermediate-scale quantum (NISQ) era devices.