arXiv subjects

Stephen K. Gray

Publications and source records attributed to Stephen K. Gray.

At least 19 recordsLinked to original sources

arXiv2026

Enhanced quantum sensing mediated by a cavity in open systems

We simulate the dynamics of systems with $N$ = 1-20 qubits coupled to a cavity in order to assess their potential for quantum metrology of a parameter in the open systems limit. The qubits and the cavity are both allowed to have losses and the system is studied under various coupling strength regimes. The focus is primarily on the coupling between the qubits using the quantum Fisher information as the measured parameter. Some results on estimating the qubit-cavity detuning parameter are also presented. We investigate the scaling of the uncertainty in the estimate of the qubit-cavity coupling with the number of qubits and for different initial states of the qubits that act as the quantum probe. As initial probe states, we consider Dicke states with varying excitation numbers, the GHZ state, and separable X-polarized states. It is shown that in the strong coupling regime, i.e., when the coupling between the qubits and the cavity is greater than the decay parameters of both the qubits and the cavity, Dicke states with a large excitation number can achieve the Heisenberg limit, with the precision scaling improving as the excitation number increases. A particularly intriguing finding of our study is that in the weak coupling regime, as well as in situations where either the qubit or cavity decay parameters exceed the coupling, the separable $X$-polarized state is the best in terms of scaling and is even able to achieve the Heisenberg limit in these lossy regimes for the range of $N$ considered.

quant-ph↗

arXiv2025

Hardware Efficient Quantum Kernels Using Multimode Bulk Acoustic Resonators

The kernel trick is a widely applicable technique in machine learning domains that maps datasets that are difficult to classify into a computationally friendly feature space. As the dimension of the dataset scales, these kernel calculations can quickly become computationally intractable or data inefficient. In this work, we extend prior efforts in quantum kernel design for Kerr nonlinear devices by implementing time-dependent simulations of a Kerr-qubit coupled to acoustic resonators. For experimentally feasible parameters, we demonstrate that the Kerr nonlinearity directly induces non-classical behavior in the multimode system, which we use to define and analyze a quantum-enhanced kernel. Finally, we present a brief scaling characterization that demonstrates the computational intractability of classically simulating the kernel as the number of resonators scales.

quant-ph↗

arXiv2025

Quantum Fisher Information and the Curvature of Entanglement

We explore the relationship between quantum Fisher information (QFI) and the negative of the second derivative of concurrence with respect to the coupling between two qubits, referred to as the curvature of entanglement (CoE). The two-qubit system serves as a minimal model to study the connection between QFI and dynamically generated entanglement in scenarios where the measured quantity is a two- or many-body coupling strength. We analyze in detail the pure-state lossless case for which general results can be inferred and we also consider a simple interaction Hamiltonian in the case of one form of loss applied to the qubits. For a two-qubit quantum probe used to estimate the coupling constant appearing in the interaction Hamiltonian we show, for certain initial conditions, that there are times such that CoE = QFI. These times can be associated with the concurrence, viewed as a function of the coupling parameter, being a maximum. We examine the time evolution of the concurrence of the eigenstates of the symmetric logarithmic derivative (SLD). Measurements using the SLD eigenstates as basis are optimal for saturating the quantum Cramer bound. We show that, for several families of initially separable and initially entangled states, the SLD eigenstates are simple product states when CoE = QFI.

quant-ph↗

arXiv2025

Quantum time dynamics mediated by the Yang-Baxter equation and artificial neural networks

Quantum computing shows great potential, but errors pose a significant challenge. This study explores new strategies for mitigating quantum errors using artificial neural networks (ANN) and the Yang-Baxter equation (YBE). Unlike traditional error mitigation methods, which are computationally intensive, we investigate artificial error mitigation. We developed a novel method that combines ANN for noise mitigation combined with the YBE to generate noisy data. This approach effectively reduces noise in quantum simulations, enhancing the accuracy of the results. The YBE rigorously preserves quantum correlations and symmetries in spin chain simulations in certain classes of integrable lattice models, enabling effective compression of quantum circuits while retaining linear scalability with the number of qubits. This compression facilitates both full and partial implementations, allowing the generation of noisy quantum data on hardware alongside noiseless simulations using classical platforms. By introducing controlled noise through the YBE, we enhance the dataset for error mitigation. We train an ANN model on partial data from quantum simulations, demonstrating its effectiveness in mitigating errors in time-evolving quantum states, providing a scalable framework to enhance quantum computation fidelity, particularly in noisy intermediate-scale quantum (NISQ) systems. We demonstrate the efficacy of this approach by performing quantum time dynamics simulations using the Heisenberg XY Hamiltonian on real quantum devices.

quant-ph↗

arXiv2025

Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation

Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate-term quantum computers. The localized active space self-consistent field (LASSCF) approximates the complete active space self-consistent field (CASSCF) by generating active space-based wave functions within specific fragments while treating interfragment correlation with mean-field approach, hence is computationally less expensive. Hardware-efficient ansatzes (HEA) offer affordable and shallower circuits, yet they often fail to capture the necessary correlation. Previously, Jastrow-factor-inspired non-unitary qubit operators were proposed to use with HEA for variational quantum eigensolver (VQE) calculations (nuVQE), as they do not increase circuit depths and recover correlation beyond the mean-field level for Hartree-Fock initial states. Here, we explore running nuVQE with LASSCF as the initial state. The method, named LAS-nuVQE, is shown to recover interfragment correlations, reach chemical accuracy with a small number of gates (<70) in both H4 and square cyclobutadiene. To further address the inherent symmetry-breaking in HEA, we implemented spin-constrained LAS-nuVQE to extend the capabilities of HEA further and show spin-pure results for square cyclobutadiene. We mitigate the increased measurement overhead of nuVQE via Pauli grouping and shot-frugal sampling, reducing measurement costs by up to two orders of magnitude compared to ungrouped operator, and show that one can achieve better accuracy with a small number of shots (10^3-4) per one expectation value calculation compared to noiseless simulations with one or two orders of magnitude more shots. Finally, wall clock time estimates show that, with our measurement mitigation protocols, nuVQE becomes a cheaper and more accurate alternative than VQE with HEA.

quant-ph↗

arXiv2024

Quantum Advantage in Distributed Sensing with Noisy Quantum Networks

We show that quantum advantage in distributed sensing can be achieved with noisy quantum networks which only distribute noisy entangled states. We derive a closed-form expression of the quantum Fisher information (QFI) for estimating the average of local parameters using GHZ-diagonal probe states, a representative distributed sensing scenario. From the QFI we obtain the necessary condition to achieve quantum advantage over the optimal local sensing strategy, which can also serve as an optimization-free entanglement detection criterion for multipartite states. We further explore the impacts from imperfect local entanglement generation and local measurement constraint, and our results imply that the quantum advantage is more robust against quantum network imperfections than local operation errors. Notably, these implications still hold when we explicitly consider dephasing during the sensing dynamics. Our results significantly advance the understanding of the achievability of quantum advantage in noisy distributed sensing. They also offer practical guidance for real-world implementation of quantum sensor networks.

quant-ph↗

arXiv2024

QREChem: Quantum Resource Estimation Software for Chemistry Applications

As quantum hardware continues to improve, more and more application scientists have entered the field of quantum computing. However, even with the rapid improvements in the last few years, quantum devices, especially for quantum chemistry applications, still struggle to perform calculations that classical computers could not calculate. In lieu of being able to perform specific calculations, it is important have a systematic way of estimating the resources necessary to tackle specific problems. Standard arguments about computational complexity provide hope that quantum computers will be useful for problems in quantum chemistry but obscure the true impact of many algorithmic overheads. These overheads will ultimately determine the precise point when quantum computers will perform better than classical computers. We have developed QREChem to provide logical resource estimates for ground state energy estimation in quantum chemistry through a Trotter-based quantum phase estimation approach. QREChem provides resource estimates which include the specific overheads inherent to problems in quantum chemistry by including heuristic estimates of the number of Trotter steps and number of necessary ancilla, allowing for more accurate estimates of the total number of gates. We utilize QREChem to provide logical resource estimates for a variety of small molecules in various basis sets, obtaining estimates in the range of $10^7-10^{15}$ for total number of T gates. We also determine estimates for the FeMoco molecule and compare all estimates to other resource estimation tools.

cs.ET↗

arXiv2024

The Localized Active Space Method with Unitary Selective Coupled Cluster

We introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method, LAS-USCCSD first performs a classical LASSCF calculation, then selectively identifies the most important parameters (cluster amplitudes used to build the multireference UCC ansatz) for restoring inter-fragment interaction energy using this reduced set of parameters with the variational quantum eigensolver method. We benchmark LAS-USCCSD against LAS-UCCSD by calculating the total energies of $(\mathrm{H}_2)_2$, $(\mathrm{H}_2)_4$ and \textit{trans}-butadiene, and the magnetic coupling constant for a bimetallic compound [Cr$_2$(OH)$_3$(NH$_3$)$_6$]$^{3+}$. For these systems, we find that LAS-USCCSD reduces the number of required parameters and thus the circuit depth by at least one order of magnitude, an aspect which is important for the practical implementation of multireference hybrid quantum-classical algorithms like LAS-UCCSD on near-term quantum computers.

quant-ph↗

arXiv2024

Achieving the Heisenberg limit with Dicke states in noisy quantum metrology

Going beyond the standard quantum limit in noisy quantum metrology is an important and challenging task. Here we show how Dicke states can be used to surpass the standard quantum limit and achieve the Heisenberg limit in open quantum systems. The system we study has qubits symmetrically coupled to a resonator and our objective is to estimate the coupling between the qubits and the resonator. The time-dependent quantum Fisher information with respect to the coupling is studied for this open quantum system where the same decay rates are assumed on all qubits. We show that when the system is initialized to a Dicke state with an optimal excitation number one can go beyond the standard quantum limit and achieve the Heisenberg limit even for finite values of the decays on the qubit and the resonator, particularly when the qubits and resonator are strongly coupled. We compare our results against the highly entangled GHZ state and a completely separable state and show that the GHZ state performs quite poorly whereas under certain noise conditions the separable state is able to go beyond the standard quantum limit due to subsequent interactions with a resonator.

quant-ph↗

arXiv2023

Generation of Robust Entanglement in Plasmonically Coupled Quantum Dots Driven by Quantum Squeezed Light

Our cavity quantum electrodynamics calculations demonstrate generation of steady-state entanglement between a plasmonically coupled pair of quantum dots by using single-mode squeezed light source. We show that strong coupling of plasmons to the incoming light source and the pairwise nature of squeezed photon generation enable the formation of entanglement between the initially unexcited quantum dots. The entanglement of quantum dots, measured as concurrence, can be improved replacing a pulsed source of light to continuous pumping of squeezed photons. Unlike previously introduced schemes the concurrence is robust against variations in the system parameters. Specifically, the generation of entanglement does not rely on fine tuning of plasmon quantum dot coupling. This work provides a new perspective for robust entangled state preparation in open quantum systems.

quant-ph↗

arXiv2023

Hybrid algorithm for the time-dependent Hartree-Fock method using the Yang-Baxter equation on quantum computers

The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree-Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang-Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.

quant-ph↗

arXiv2023

Optimal time for sensing in open quantum systems

We study the time-dependent quantum Fisher information (QFI) in an open quantum system satisfying the Gorini-Kossakowski-Sudarshan-Lindblad master equation. We also study the dynamics of the system from an effective non-Hermitian dynamics standpoint and use it to understand the scaling of the QFI when multiple probes are used. A focus of our work is how the QFI is maximized at certain times suggesting that the best precision in parameter estimation can be achieved by focusing on these times. The propagation of errors analysis allows us to confirm and better understand this idea. We also propose a parameter estimation procedure involving relatively low resource consuming measurements followed by higher resource consuming measurements and demonstrate it in simulation.

quant-ph↗

arXiv2023

State preparation in quantum algorithms for fragment-based quantum chemistry

State preparation for quantum algorithms is crucial for achieving high accuracy in quantum chemistry and competing with classical algorithms. The localized active space unitary coupled cluster (LAS-UCC) algorithm iteratively loads a fragment-based multireference wave function onto a quantum computer. In this study, we compare two state preparation methods, quantum phase estimation (QPE) and direct initialization (DI), for each fragment. We analyze the impact of QPE parameters, such as the number of ancilla qubits and Trotter steps, on the prepared state. We find a trade-off between the methods, where DI requires fewer resources for smaller fragments, while QPE is more efficient for larger fragments. Our resource estimates highlight the benefits of system fragmentation in state preparation for subsequent quantum chemical calculations. These findings have broad applications for preparing multireference quantum chemical wave functions on quantum circuits, particularly via QPE circuits.

quant-ph↗

arXiv2022

Fast-forwarding quantum simulation with real-time quantum Krylov subspace algorithms

Quantum subspace diagonalization (QSD) algorithms have emerged as a competitive family of algorithms that avoid many of the optimization pitfalls associated with parameterized quantum circuit algorithms. While the vast majority of the QSD algorithms have focused on solving the eigenpair problem for ground, excited-state, and thermal observable estimation, there has been a lot less work in considering QSD algorithms for the problem of quantum dynamical simulation. In this work, we propose several quantum Krylov fast-forwarding (QKFF) algorithms capable of predicting long-time dynamics well beyond the coherence time of current quantum hardware. Our algorithms use real-time evolved Krylov basis states prepared on the quantum computer and a multi-reference subspace method to ensure convergence towards high-fidelity, long-time dynamics. In particular, we show that the proposed multi-reference methodology provides a systematic way of trading off circuit depth with classical post-processing complexity. We also demonstrate the efficacy of our approach through numerical implementations for several quantum chemistry problems including the calculation of the auto-correlation and dipole moment correlation functions

quant-ph↗

arXiv2022

Pure dephasing induced single-photon parametric down-conversion in an ultrastrong coupled plasmon-exciton system

In coupled quantum systems pure dephasing mechanisms acting on one constituent of the hybrid system break symmetry and enable optical transitions which are forbidden in the non-coupled system, i.e., the pure dephasing bath opens a cascaded dissipation pathway. Here we show that this mechanism enables single-photon induced parametric down-conversion in an ultrastrongly coupled plasmon-exciton system. Fast pure dephasing of the exciton is shown to support photon pair generation as the dominant energy relaxation pathway.

quant-ph↗

arXiv2022

Unitary Selective Coupled-Cluster Method

Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such simulations. Standard unitary coupled-cluster with singles and doubles (UCCSD) ansatz tends to have a large number of insignificant terms that do not lower the energy of the system. In this work, we present a unitary selective coupled-cluster method, a way to construct a unitary coupled-cluster ansatz iteratively using a selection procedure with excitations up to fourth order. This approach uses the electronic Hamiltonian matrix elements and the amplitudes for excitations already present in the ansatz to find the important excitations of higher order and to add them to the ansatz. The important feature of the method is that it systematically reduces the energy error with increasing ansatz size for a set of test molecules. The main advantage of the proposed method is that the effort to increase the ansatz does not require any additional measurements on a quantum computer.

physics.chem-ph↗

arXiv2022

Localized Quantum Chemistry on Quantum Computers

Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can alleviate this, but the resources required are still too large for today's quantum devices. Here we present a quantum algorithm that combines a localization of multireference wave functions of chemical systems with quantum phase estimation (QPE) and variational unitary coupled cluster singles and doubles (UCCSD) to compute their ground state energy. Our algorithm, termed "local active space unitary coupled cluster" (LAS-UCC), scales linearly with system size for certain geometries, providing a polynomial reduction in the total number of gates compared with QPE, while providing accuracy above that of the variational quantum eigensolver using the UCCSD ansatz and also above that of the classical local active space self-consistent field. The accuracy of LAS-UCC is demonstrated by dissociating (H$_2$)$_2$ into two H$_2$ molecules and by breaking the two double bonds in trans-butadiene and resources estimates are provided for linear chains of up to 20 H$_2$ molecules.

quant-ph↗

arXiv2021

Quantum Krylov subspace algorithms for ground and excited state energy estimation

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD algorithms typically rely on using the Hadamard test for estimating Krylov subspace matrix elements of the form, $\langle ϕ_i|e^{-i\hat{H}τ}|ϕ_j \rangle$, the associated quantum circuits require an ancilla qubit with controlled multi-qubit gates that can be quite costly for near-term quantum hardware. In this work, we show that a wide class of Hamiltonians relevant to condensed matter physics and quantum chemistry contain symmetries that can be exploited to avoid the use of the Hadamard test. We propose a multi-fidelity estimation protocol that can be used to compute such quantities showing that our approach, when combined with efficient single-fidelity estimation protocols, provides a substantial reduction in circuit depth. In addition, we develop a unified theory of quantum Krylov subspace algorithms and present three new quantum-classical algorithms for the ground and excited-state energy estimation problems, where each new algorithm provides various advantages and disadvantages in terms of total number of calls to the quantum computer, gate depth, classical complexity, and stability of the generalized eigenvalue problem within the Krylov subspace.

quant-ph↗