Showing 1–50 of 77 results for author: Love, P

Quantum Advantage in Resource Estimation

Authors: William A. Simon, Peter J. Love

Abstract: Quantum computing promises the ability to compute properties of quantum systems exponentially faster than classical computers. Quantum advantage is achieved when a practical problem is solved more efficiently on a quantum computer than on a classical computer. Demonstrating quantum advantage requires a powerful quantum computer with low error rates and an efficient quantum algorithm that has a use… ▽ More Quantum computing promises the ability to compute properties of quantum systems exponentially faster than classical computers. Quantum advantage is achieved when a practical problem is solved more efficiently on a quantum computer than on a classical computer. Demonstrating quantum advantage requires a powerful quantum computer with low error rates and an efficient quantum algorithm that has a useful application. Despite rapid progress in hardware development, we still lack useful applications that are feasible for the next generation of quantum computers. Here we argue that an exponential quantum advantage exists in producing numerical resource estimates of larger quantum algorithms by accurately measuring simulation errors. We provide a quantum algorithm for measuring simulation errors of Trotter-based algorithms. Our results indicate that this method will reduce runtimes of quantum algorithms by approximately three orders of magnitude for one-hundred qubit systems. We also predict that these reductions will increase with system size. The methods we propose require relatively few qubits and operations, meaning the next generation of quantum computers could compute simulation errors for classically intractable systems. Since the underlying computations that lead to reduced resource estimates are infeasible for classical computers, this task is a candidate for demonstrating practical quantum advantage. △ Less

Submitted 1 December, 2025; originally announced December 2025.

Halving the Cost of Controlled Time-Evolution

Authors: William A. Simon, Peter J. Love

Abstract: Quantum simulation is a promising application for quantum computing. Quantum simulation algorithms may require the ability to control the time evolution unitary. Naive techniques to control a unitary can substantially increase the required computational resources. A standard approach to controlling Trotterized time evolution doubles the number of single-qubit arbitrary rotations. Here, we describe… ▽ More Quantum simulation is a promising application for quantum computing. Quantum simulation algorithms may require the ability to control the time evolution unitary. Naive techniques to control a unitary can substantially increase the required computational resources. A standard approach to controlling Trotterized time evolution doubles the number of single-qubit arbitrary rotations. Here, we describe a compilation scheme that does not increase the number of arbitrary rotations for symmetric Trotterizations, which applies to second-order and higher Suzuki-Trotter decompositions. This halves the number of arbitrary rotations required to implement controlled, Trotterized time evolution compared to the standard approach. Arbitrary rotations contribute significantly to resource estimates in a fault-tolerant architecture due to the number of required magic states. Therefore, arbitrary rotations dominate the $T$-cost of fault-tolerant implementations of quantum simulation. This construction reduces the number of arbitrary rotations for controlled Trotter evolution to that of uncontrolled Trotter evolution, thereby reducing the cost of fault-tolerant quantum simulation. △ Less

Submitted 17 November, 2025; originally announced November 2025.

The foundational value of quantum computing for classical fluids

Authors: Sauro Succi, Claudio Sanavio, Peter Love

Abstract: Quantum algorithms for classical physics problems expose new patterns of quantum information flow as compared to the many-body Schrödinger equation. As a result, besides their potential practical applications, they also offer a valuable theoretical and computational framework to elucidate the foundations of quantum mechanics, particularly the validity of the many-body Schrödinger equation in the l… ▽ More Quantum algorithms for classical physics problems expose new patterns of quantum information flow as compared to the many-body Schrödinger equation. As a result, besides their potential practical applications, they also offer a valuable theoretical and computational framework to elucidate the foundations of quantum mechanics, particularly the validity of the many-body Schrödinger equation in the limit of large number of particles, on the order of the Avogadro number. This idea is illustrated by means of a concrete example, the Block-Encoded Carleman embedding of the Lattice Boltzmann formulation of fluid dynamics (CLB). △ Less

Submitted 10 October, 2025; originally announced October 2025.

Comments: 8 pages, 6 figures

The Renormalized Yukawa Hamiltonian: Spectrum, Parton Distribution Functions, and Resource Estimates for Quantum Simulation

Authors: Carter M. Gustin, Kamil Serafin, William A. Simon, Alexis Ralli, Gary R. Goldstein, Peter J. Love

Abstract: We apply the Renormalization Group Procedure for Effective Particles (RGPEP) to the front form Yukawa Hamiltonian, yielding a renormalized (effective) Hamiltonian, accurate up to second order in the coupling strength. Subsequently, we examine the spectrum and parton distribution functions produced by the renormalized Hamiltonian, and show that the addition of counterterms leads to finite results.… ▽ More We apply the Renormalization Group Procedure for Effective Particles (RGPEP) to the front form Yukawa Hamiltonian, yielding a renormalized (effective) Hamiltonian, accurate up to second order in the coupling strength. Subsequently, we examine the spectrum and parton distribution functions produced by the renormalized Hamiltonian, and show that the addition of counterterms leads to finite results. Resource estimates for quantum simulation are calculated for a single `Ladder Operator Block Encoding' (LOBE), and show that the cost to block encode the renormalized Hamiltonian is comparable to block encoding the bare Hamiltonian. △ Less

Submitted 22 August, 2025; v1 submitted 20 August, 2025; originally announced August 2025.

Comments: 25 pages, 17 figures

Roadblocks and Opportunities in Quantum Algorithms -- Insights from the National Quantum Initiative Joint Algorithms Workshop, May 20--22, 2024

Authors: Eliot Kapit, Peter Love, Jeffrey Larson, Andrew Sornborger, Eleanor Crane, Alexander Schuckert, Teague Tomesh, Frederic Chong, Sabre Kais

Abstract: The National Quantum Initiative Joint Algorithms Workshop brought together researchers across academia, national laboratories, and industry to assess the current landscape of quantum algorithms and discuss roadblocks to progress. The workshop featured discussions on emerging algorithmic techniques, resource constraints in near-term hardware, and opportunities for co-design across software and syst… ▽ More The National Quantum Initiative Joint Algorithms Workshop brought together researchers across academia, national laboratories, and industry to assess the current landscape of quantum algorithms and discuss roadblocks to progress. The workshop featured discussions on emerging algorithmic techniques, resource constraints in near-term hardware, and opportunities for co-design across software and systems. Presented here are seven topics from the workshop, each highlighting a critical challenge or promising opportunity discussed during the event. Together, they offer a snapshot of the field's evolving priorities and a shared vision for what is needed to advance quantum computational capabilities. △ Less

Submitted 19 August, 2025; originally announced August 2025.

Entanglement and magic on the light-front

Authors: Sam Alterman, Peter J. Love

Abstract: In the light-front (LF) formulation of quantum field theory (QFT), physics is formulated from the perspective of a massless observer necessarily traveling at the speed of light. The LF formulation provides an alternative computational approach to lattice gauge theory, and has recently been investigated as a future application of quantum computers. A natural question is how quantum resources such a… ▽ More In the light-front (LF) formulation of quantum field theory (QFT), physics is formulated from the perspective of a massless observer necessarily traveling at the speed of light. The LF formulation provides an alternative computational approach to lattice gauge theory, and has recently been investigated as a future application of quantum computers. A natural question is how quantum resources such as entanglement and contextuality amongst physical qubits in the laboratory are utilized in LF simulations of QFTs. We use the (1+1)D transverse-field Ising model to explore this question. We derive the LF energy operator that generates the LF dynamics of the system, which is distinct from the instant-form (IF) Hamiltonian. We find that while the eigenstates of the IF Hamiltonian exhibit pairwise entanglement between positive and negative momenta in IF momentum-space, the eigenstates of the LF Hamiltonian are separable in LF momentum-space. We then calculate the momentum-space magic of the IF-momentum-space ground state and show that it always requires more magic to prepare than the LF-momentum-space ground state. At the quantum critical point, corresponding to a massless free fermion, both LF and IF ground states are stabilizers, but the LF ground state is separable in LF momentum-space while the IF ground state is a product of maximally entangled pairs in IF momentum-space. These results show that quantum resources such as entanglement and magic are utilized differently by quantum simulations formulated in LF and IF, and that the simplicity of the LF ground state results in fewer required quantum resources. △ Less

Submitted 18 July, 2025; v1 submitted 14 July, 2025; originally announced July 2025.

Comments: 7 pages, 1 figure; corrected error with figure

Noncontextual Pauli Hamiltonians

Authors: Alexis Ralli, Tim Weaving, Peter J. Love

Abstract: Contextuality is a key feature of quantum mechanics, and identification of noncontextual subtheories of quantum mechanics is of both fundamental and practical importance. Recently, noncontextual Pauli Hamiltonians have been defined in the setting of variational quantum algorithms. In this work we rigorously establish a number of properties of noncontextual Pauli Hamiltonians. We prove that these H… ▽ More Contextuality is a key feature of quantum mechanics, and identification of noncontextual subtheories of quantum mechanics is of both fundamental and practical importance. Recently, noncontextual Pauli Hamiltonians have been defined in the setting of variational quantum algorithms. In this work we rigorously establish a number of properties of noncontextual Pauli Hamiltonians. We prove that these Hamiltonians can be composed of more Pauli operators than diagonal Hamiltonians. This establishes that noncontextual Hamiltonians are able to describe a greater number of physical interactions. We then show that the eigenspaces admit an efficient classical description. We analyse the eigenspace of these Hamiltonians and prove that for every eigenvalue there exists an associated eigenvector whose stabilizer rank scales linearly with the number of qubits. We prove that further structure in these Hamiltonians allow us to derive where degeneracies in the eigenspectrum can arise. We thus open the field to a new class of efficiently simulatable states. △ Less

Submitted 24 June, 2025; originally announced June 2025.

Simulating the Antiferromagnetic Heisenberg Model on a Spin-Frustrated Kagome Lattice with the Contextual Subspace Variational Quantum Eigensolver

Authors: Tim Weaving, Alexis Ralli, Vinul Wimalaweera, Peter J. Love, Peter V. Coveney

Abstract: In this work we investigate the ground state properties of a candidate quantum spin liquid using a superconducting Noisy Intermediate-Scale Quantum (NISQ) device. Specifically, we study the antiferromagnetic Heisenberg model on a Kagome lattice, a geometrically frustrated structure that gives rise to a highly degenerate energy spectrum. To successfully simulate this system, we employ a qubit reduc… ▽ More In this work we investigate the ground state properties of a candidate quantum spin liquid using a superconducting Noisy Intermediate-Scale Quantum (NISQ) device. Specifically, we study the antiferromagnetic Heisenberg model on a Kagome lattice, a geometrically frustrated structure that gives rise to a highly degenerate energy spectrum. To successfully simulate this system, we employ a qubit reduction strategy leveraging the Contextual Subspace methodology, significantly reducing the problem size prior to execution on the quantum device. We improve the quality of these subspaces by using the wavefunctions obtained from low bond dimension Density Matrix Renormalization Group (DMRG) calculations to bias the subspace stabilizers through a symplectic approximate symmetry generator extraction algorithm. Reducing the Hamiltonian size allows us to implement tiled circuit ensembles and deploy the Variational Quantum Eigensolver (VQE) to estimate the ground state energy. We adopt a hybrid quantum error mitigation strategy combining Readout Error Mitigation (REM), Symmetry Verification (SV) and Zero Noise Extrapolation (ZNE). This approach yields high-accuracy energy estimates, achieving error rates on the order of 0.01% and thus demonstrating the potential of near-term quantum devices for probing frustrated quantum materials. △ Less

Submitted 14 June, 2025; originally announced June 2025.

Comments: 12 pages, 8 figures, 1 table

Bridging Quantum Chemistry and MaxCut: Classical Performance Guarantees and Quantum Algorithms for the Hartree-Fock Method

Authors: Alexis Ralli, Tim Weaving, Peter V. Coveney, Peter J. Love

Abstract: In quantum chemistry, self-consistent field (SCF) algorithms define a nonlinear optimization problem, with both continuous and discrete components. In this work, we derive Hartree-Fock-inspired SCF algorithms that can be exactly written as a sequence of Quadratic Unconstrained Spin/Binary Optimization problems (QUSO/QUBO). We reformulate the optimization problem as a series of MaxCut graph problem… ▽ More In quantum chemistry, self-consistent field (SCF) algorithms define a nonlinear optimization problem, with both continuous and discrete components. In this work, we derive Hartree-Fock-inspired SCF algorithms that can be exactly written as a sequence of Quadratic Unconstrained Spin/Binary Optimization problems (QUSO/QUBO). We reformulate the optimization problem as a series of MaxCut graph problems, which can be efficiently solved using semi-definite programming techniques. This procedure provides performance guarantees at each SCF step, irrespective of the complexity of the optimization landscape. We numerically demonstrate the QUBO-SCF and MaxCut-SCF methods by studying the hydroxide anion OH- and molecular Nitrogen N2. The largest problem addressed in this study involves a system comprised of 220 qubits (equivalently, spin-orbitals). Our results show that QUBO-SCF and MaxCut-SCF suffer much less from internal instabilities compared with conventional SCF calculations. Additionally, we show that the new SCF algorithms can enhance single-reference methods, such as configuration interaction. Finally, we explore how quantum algorithms for optimization can be applied to the QUSO problems arising from the Hartree-Fock method. Four distinct hybrid-quantum classical approaches are introduced: GAS-SCF, QAOA-SCF, QA-SCF and DQI-SCF. △ Less

Submitted 4 June, 2025; originally announced June 2025.

Extending Quantum Computing through Subspace, Embedding and Classical Molecular Dynamics Techniques

Authors: Thomas M. Bickley, Angus Mingare, Tim Weaving, Michael Williams de la Bastida, Shunzhou Wan, Martina Nibbi, Philipp Seitz, Alexis Ralli, Peter J. Love, Minh Chung, Mario Hernández Vera, Laura Schulz, Peter V. Coveney

Abstract: The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the workload to classical hardware where tractable, we may broaden the applicability of quantum computation in the near term. In this perspective, we review techniques th… ▽ More The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the workload to classical hardware where tractable, we may broaden the applicability of quantum computation in the near term. In this perspective, we review techniques that facilitate the study of subdomains of chemical systems with quantum computers and present a proof-of-concept demonstration of quantum-selected configuration interaction deployed within a multiscale/multiphysics simulation workflow leveraging classical molecular dynamics, projection-based embedding and qubit subspace tools. This allows the technology to be utilised for simulating systems of real scientific and industrial interest, which not only brings true quantum utility closer to realisation but is also relevant as we look forward to the fault-tolerant regime. △ Less

Submitted 10 November, 2025; v1 submitted 22 May, 2025; originally announced May 2025.

Comments: 18 pages, 9 figures. Updated to the version published in Digital Discovery

Journal ref: Digital Discovery, 2025, 4, 3427-3444

Solovay Kitaev and Randomized Compilation

Authors: Oliver Maupin, Ashlyn D. Burch, Christopher G. Yale, Matthew N. H. Chow, Terra Colvin, Jr., Brandon Ruzic, Melissa C. Revelle, Brian K. McFarland, Eduardo Ibarra-García-Padilla, Alejandro Rascon, Andrew J. Landahl, Susan M. Clark, Peter J. Love

Abstract: We analyze the use of the Solovay Kitaev (SK) algorithm to generate an ensemble of one qubit rotations over which to perform randomized compilation. We perform simulations to compare the trace distance between the quantum state resulting from an ideal one qubit RZ rotation and discrete SK decompositions. We find that this simple randomized gate synthesis algorithm can reduce the approximation erro… ▽ More We analyze the use of the Solovay Kitaev (SK) algorithm to generate an ensemble of one qubit rotations over which to perform randomized compilation. We perform simulations to compare the trace distance between the quantum state resulting from an ideal one qubit RZ rotation and discrete SK decompositions. We find that this simple randomized gate synthesis algorithm can reduce the approximation error of these rotations in the absence of quantum noise by at least a factor of two. We test the technique under the effects of a simple coherent noise model and find that it can mitigate coherent noise. We also run our algorithm on Sandia National Laboratories' QSCOUT trapped-ion device and find that randomization is able to help in the presence of realistic noise sources. △ Less

Submitted 18 March, 2025; originally announced March 2025.

Comments: 11 pages, 6 figures

Ladder Operator Block-Encoding

Authors: William A. Simon, Carter M. Gustin, Kamil Serafin, Alexis Ralli, Gary R. Goldstein, Peter J. Love

Abstract: We describe and analyze LOBE (Ladder Operator Block-Encoding), a framework for block-encoding ladder operators that act upon fermionic and bosonic modes. In this framework, we achieve efficient block-encodings by applying the desired action of the operator onto the quantum state and pushing any undesired effects outside of the encoded subspace. This direct approach avoids any overhead caused by ex… ▽ More We describe and analyze LOBE (Ladder Operator Block-Encoding), a framework for block-encoding ladder operators that act upon fermionic and bosonic modes. In this framework, we achieve efficient block-encodings by applying the desired action of the operator onto the quantum state and pushing any undesired effects outside of the encoded subspace. This direct approach avoids any overhead caused by expanding the operators in another basis. We numerically benchmark these constructions using models arising in quantum field theories including the quartic harmonic oscillator, and $φ^4$ and Yukawa Hamiltonians on the light front. These benchmarks show that LOBE often produces block-encodings with fewer non-Clifford operations, fewer block-encoding ancillae and overall number of qubits, and lower rescaling factors for various operators as compared to frameworks that expand the ladder operators in the Pauli basis. LOBE constructions also demonstrate favorable scaling with respect to key parameters, including the maximum occupation of bosonic modes, the total number of fermionic and bosonic modes, and the locality of the operators. LOBE is implemented as an open-source python package to enable further applications. △ Less

Submitted 16 December, 2025; v1 submitted 14 March, 2025; originally announced March 2025.

Comments: Published in Quantum; Accepted Nov. 30th, 2025

Journal ref: Quantum 9, 1953 (2025)

Carleman-lattice-Boltzmann quantum circuit with matrix access oracles

Authors: Claudio Sanavio, William A. Simon, Alexis Ralli, Peter Love, Sauro Succi

Abstract: We apply Carleman linearization of the Lattice Boltzmann (CLB) representation of fluid flows to quantum emulate the dynamics of a 2D Kolmogorov-like flow. We assess the accuracy of the result and find a relative error of the order of $10^{-3}$ with just two Carleman iterates, for a range of the Reynolds number up to a few hundreds. We first define a gate-based quantum circuit for the implementatio… ▽ More We apply Carleman linearization of the Lattice Boltzmann (CLB) representation of fluid flows to quantum emulate the dynamics of a 2D Kolmogorov-like flow. We assess the accuracy of the result and find a relative error of the order of $10^{-3}$ with just two Carleman iterates, for a range of the Reynolds number up to a few hundreds. We first define a gate-based quantum circuit for the implementation of the CLB method and then exploit the sparse nature of the CLB matrix to build a quantum circuit based on block-encoding techniques which makes use of matrix oracles. It is shown that the gate complexity of the algorithm is thereby dramatically reduced, from exponential to quadratic. However, due to the need of employing up to seven ancilla qubits, the probability of success of the corresponding circuit for a single time step is too low to enable multi-step time evolution. Several possible directions to circumvent this problem are briefly outlined. △ Less

Submitted 5 January, 2025; originally announced January 2025.

Comments: 11 pages, 8 figures

Journal ref: Physics of Fluids 37, 037123 (2025)

Accurately Simulating the Time Evolution of an Ising Model with Echo Verified Clifford Data Regression on a Superconducting Quantum Computer

Authors: Tim Weaving, Alexis Ralli, Peter J. Love, Sauro Succi, Peter V. Coveney

Abstract: We present an error mitigation strategy composed of Echo Verification (EV) and Clifford Data Regression (CDR), the combination of which allows one to learn the effect of the quantum noise channel to extract error mitigated estimates for the expectation value of Pauli observables. We analyse the behaviour of the method under the depolarizing channel and derive an estimator for the depolarization ra… ▽ More We present an error mitigation strategy composed of Echo Verification (EV) and Clifford Data Regression (CDR), the combination of which allows one to learn the effect of the quantum noise channel to extract error mitigated estimates for the expectation value of Pauli observables. We analyse the behaviour of the method under the depolarizing channel and derive an estimator for the depolarization rate in terms of the ancilla purity and postselection probability. We also highlight the sensitivity of this probability to noise, a potential bottleneck for the technique. We subsequently consider a more general noise channel consisting of arbitrary Pauli errors, which reveals a linear relationship between the error rates and the estimation of expectation values, suggesting the learnability of noise in EV by regression techniques. Finally, we present a practical demonstration of Echo Verified Clifford Data Regression (EVCDR) on a superconducting quantum computer and observe accurate results for the time evolution of an Ising model over spin-lattices consisting of up to 35 sites and circuit depths up to 173 entangling layers. △ Less

Submitted 28 April, 2025; v1 submitted 14 August, 2024; originally announced August 2024.

Comments: 21 pages, 14 figures

Journal ref: Quantum 9, 1732 (2025)

Demonstration of a CAFQA-bootstrapped Variational Quantum Eigensolver on a Trapped-Ion Quantum Computer

Authors: Qingfeng Wang, Liudmila Zhukas, Qiang Miao, Aniket S. Dalvi, Peter J. Love, Christopher Monroe, Frederic T. Chong, Gokul Subramanian Ravi

Abstract: To enhance the variational quantum eigensolver (VQE), the CAFQA method can utilize classical computational capabilities to identify a better initial state than the Hartree-Fock method. Previous research has demonstrated that the initial state provided by CAFQA recovers more correlation energy than that of the Hartree-Fock method and results in faster convergence. In the present study, we advance t… ▽ More To enhance the variational quantum eigensolver (VQE), the CAFQA method can utilize classical computational capabilities to identify a better initial state than the Hartree-Fock method. Previous research has demonstrated that the initial state provided by CAFQA recovers more correlation energy than that of the Hartree-Fock method and results in faster convergence. In the present study, we advance the investigation of CAFQA by demonstrating its advantages on a high-fidelity trapped-ion quantum computer located at the Duke Quantum Center -- this is the first experimental demonstration of CAFQA-bootstrapped VQE on a TI device and on any academic quantum device. In our VQE experiment, we use LiH and BeH$_2$ as test cases to show that CAFQA achieves faster convergence and obtains lower energy values within the specified computational budget limits. To ensure the seamless execution of VQE on this academic device, we develop a novel hardware-software interface framework that supports independent software environments for both the circuit and hardware end. This mechanism facilitates the automation of VQE-type job executions as well as mitigates the impact of random hardware interruptions. This framework is versatile and can be applied to a variety of academic quantum devices beyond the trapped-ion quantum computer platform, with support for integration with customized packages. △ Less

Submitted 12 August, 2024; originally announced August 2024.

Quantum Bayesian Games

Authors: John B. DeBrota, Peter J. Love

Abstract: We apply a Bayesian agent-based framework inspired by QBism to iterations of two quantum games, the CHSH game and the quantum prisoners' dilemma. In each two-player game, players hold beliefs about an amount of shared entanglement and about the actions or beliefs of the other player. Each takes actions which maximize their expected utility and revises their beliefs with the classical Bayes rule be… ▽ More We apply a Bayesian agent-based framework inspired by QBism to iterations of two quantum games, the CHSH game and the quantum prisoners' dilemma. In each two-player game, players hold beliefs about an amount of shared entanglement and about the actions or beliefs of the other player. Each takes actions which maximize their expected utility and revises their beliefs with the classical Bayes rule between rounds. We simulate iterated play to see if and how players can learn about the presence of shared entanglement and to explore how their performance, their beliefs, and the game's structure interrelate. In the CHSH game, we find that players can learn that entanglement is present and use this to achieve quantum advantage. We find that they can only do so if they also believe the other player will act correctly to exploit the entanglement. In the case of low or zero entanglement in the CHSH game, the players cannot achieve quantum advantage, even in the case where they believe the entanglement is higher than it is. For the prisoners dilemma, we show that assuming 1-fold rational players (rational players who believe the other player is also rational) reduces the quantum extension [Eisert, Wilkens, and Lewenstein, Phys. Rev. Lett. 83, 3077 (1999)] of the prisoners dilemma to a game with only two strategies, one of which (defect) is dominant for low entanglement, and the other (the quantum strategy Q) is dominant for high entanglement. For intermediate entanglement, neither strategy is dominant. We again show that players can learn entanglement in iterated play. We also show that strong belief in entanglement causes optimal play even in the absence of entanglement -- showing that belief in entanglement is acting as a proxy for the players trusting each other. Our work points to possible future applications in resource detection and quantum algorithm design. △ Less

Submitted 4 August, 2024; originally announced August 2024.

Comments: 18 pages, 5 figures

Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer

Authors: Tim Weaving, Alexis Ralli, Peter J. Love, Sauro Succi, Peter V. Coveney

Abstract: In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a dominance of static correlation in the dissociation limit proves challenging for many conventional quantum chemistry techniques. Our quantum simulations retain good… ▽ More In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a dominance of static correlation in the dissociation limit proves challenging for many conventional quantum chemistry techniques. Our quantum simulations retain good agreement with the full configuration interaction energy in the chosen STO-3G basis, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately. Moreover, our methodology is competitive with several multiconfigurational approaches, but at a considerable saving of quantum resource, meaning larger active spaces can be treated for a fixed qubit allowance. To achieve this result we deploy an error mitigation/suppression strategy comprised of dynamical decoupling, measurement-error mitigation and zero-noise extrapolation, in addition to circuit parallelization that not only provides passive averaging of noise but improves the effective shot-yield to reduce the measurement overhead. Furthermore, we introduce a modification to previous adaptive ansatz construction algorithms that incorporates hardware-awareness into our variational circuits to minimize the transpilation cost for the target qubit topology. △ Less

Submitted 24 July, 2024; v1 submitted 7 December, 2023; originally announced December 2023.

Comments: 22 pages, 12 figures

Simulating Scattering of Composite Particles

Authors: Michael Kreshchuk, James P. Vary, Peter J. Love

Abstract: We develop a non-perturbative approach to simulating scattering on classical and quantum computers, in which the initial and final states contain a fixed number of composite particles. The construction is designed to mimic a particle collision, wherein two composite particles are brought in contact. The initial states are assembled via consecutive application of operators creating eigenstates of t… ▽ More We develop a non-perturbative approach to simulating scattering on classical and quantum computers, in which the initial and final states contain a fixed number of composite particles. The construction is designed to mimic a particle collision, wherein two composite particles are brought in contact. The initial states are assembled via consecutive application of operators creating eigenstates of the interacting theory from vacuum. These operators are defined with the aid of the Møller wave operator, which can be constructed using such methods as adiabatic state preparation or double commutator flow equation. The approach is well-suited for studying strongly coupled systems in both relativistic and non-relativistic settings. For relativistic systems, we employ the language of light-front quantization, which has been previously used for studying the properties of individual bound states, as well as for simulating their scattering in external fields, and is now adopted to the studies of scattering of bound state systems. For simulations on classical computers, we describe an algorithm for calculating exact (in the sense of a given discretized theory) scattering probabilities, which has cost (memory and time) exponential in momentum grid size. Such calculations may be interesting in their own right and can be used for benchmarking results of a quantum simulation algorithm, which is the main application of the developed framework. We illustrate our ideas with an application to the $φ^4$ theory in $1+1\rm D$. △ Less

Submitted 26 October, 2023; v1 submitted 20 October, 2023; originally announced October 2023.

Comments: 32 pages, 10 figures, 3 tables

Error mitigation, optimization, and extrapolation on a trapped ion testbed

Authors: Oliver G. Maupin, Ashlyn D. Burch, Brandon Ruzic, Christopher G. Yale, Antonio Russo, Daniel S. Lobser, Melissa C. Revelle, Matthew N. Chow, Susan M. Clark, Andrew J. Landahl, Peter J. Love

Abstract: Current noisy intermediate-scale quantum (NISQ) trapped-ion devices are subject to errors which can significantly impact the accuracy of calculations if left unchecked. A form of error mitigation called zero noise extrapolation (ZNE) can decrease an algorithm's sensitivity to these errors without increasing the number of required qubits. Here, we explore different methods for integrating this erro… ▽ More Current noisy intermediate-scale quantum (NISQ) trapped-ion devices are subject to errors which can significantly impact the accuracy of calculations if left unchecked. A form of error mitigation called zero noise extrapolation (ZNE) can decrease an algorithm's sensitivity to these errors without increasing the number of required qubits. Here, we explore different methods for integrating this error mitigation technique into the Variational Quantum Eigensolver (VQE) algorithm for calculating the ground state of the HeH+ molecule at 0.8 Angstrom in the presence of realistic noise. Using the Quantum Scientific Computing Open User Testbed (QSCOUT) trapped-ion device, we test three methods of scaling noise for extrapolation: time-stretching the two-qubit gates, scaling the sideband amplitude parameter, and inserting two-qubit gate identity operations into the ansatz circuit. We find time-stretching and sideband amplitude scaling fail to scale the noise on our particular hardware in a way that can be directly extrapolated to zero noise. Scaling our noise with global gate identity insertions and extrapolating after variational optimization, we achieve an estimate of the ground state energy within -0.004 +- 0.04 Hartree; outside chemical accuracy, but greatly improved over our non-error-mitigated estimate with error 0.127 +- 0.008 Hartree. Our results show that the efficacy of this error mitigation technique depends on choosing the correct implementation for a given device architecture. △ Less

Submitted 12 September, 2024; v1 submitted 13 July, 2023; originally announced July 2023.

Comments: 21 pages, 13 figures

Journal ref: Phys. Rev. A, vol. 110, American Physical Society, Sept. 2024, p. 032416

Benchmarking Noisy Intermediate Scale Quantum Error Mitigation Strategies for Ground State Preparation of the HCl Molecule

Authors: Tim Weaving, Alexis Ralli, William M. Kirby, Peter J. Love, Sauro Succi, Peter V. Coveney

Abstract: Due to numerous limitations including restrictive qubit topologies, short coherence times and prohibitively high noise floors, few quantum chemistry experiments performed on existing noisy intermediate-scale quantum hardware have achieved the high bar of chemical precision, namely energy errors to within 1.6 mHa of full configuration interaction. To have any hope of doing so, we must layer contemp… ▽ More Due to numerous limitations including restrictive qubit topologies, short coherence times and prohibitively high noise floors, few quantum chemistry experiments performed on existing noisy intermediate-scale quantum hardware have achieved the high bar of chemical precision, namely energy errors to within 1.6 mHa of full configuration interaction. To have any hope of doing so, we must layer contemporary resource reduction techniques with best-in-class error mitigation methods; in particular, we combine the techniques of qubit tapering and the contextual subspace variational quantum eigensolver with several error mitigation strategies comprised of measurement-error mitigation, symmetry verification, zero-noise extrapolation and dual-state purification. We benchmark these strategies across a suite of eight 27-qubit IBM Falcon series quantum processors, taking preparation of the HCl molecule's ground state as our testbed. △ Less

Submitted 2 March, 2023; v1 submitted 1 March, 2023; originally announced March 2023.

Comments: 18 pages, 15 figures, 4 tables, supplementary GitHub repository: https://github.com/TimWeaving/quantum-error-mitigation

Unitary Partitioning and the Contextual Subspace Variational Quantum Eigensolver

Authors: Alexis Ralli, Tim Weaving, Andrew Tranter, William M. Kirby, Peter J. Love, Peter V. Coveney

Abstract: The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual and noncontextual parts. The ground-state energy is approximated by classically solving the noncontextual problem, followed by solving the contextual problem us… ▽ More The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual and noncontextual parts. The ground-state energy is approximated by classically solving the noncontextual problem, followed by solving the contextual problem using VQE, constrained by the noncontextual solution. In general, computation of the contextual correction needs fewer qubits and measurements compared with solving the full Hamiltonian via traditional VQE. We simulate CS-VQE on different tapered molecular Hamiltonians and apply the unitary partitioning measurement reduction strategy to further reduce the number of measurements required to obtain the contextual correction. Our results indicate that CS-VQE combined with measurement reduction is a promising approach to allow feasible eigenvalue computations on noisy intermediate-scale quantum devices. We also provide a modification to the CS-VQE algorithm; the CS-VQE algorithm previously could cause an exponential increase in Hamiltonian terms, but with this modification now at worst will scale quadratically. △ Less

Submitted 13 February, 2023; v1 submitted 7 July, 2022; originally announced July 2022.

Comments: updated to match online publication

A stabilizer framework for Contextual Subspace VQE and the noncontextual projection ansatz

Authors: Tim Weaving, Alexis Ralli, William M. Kirby, Andrew Tranter, Peter J. Love, Peter V. Coveney

Abstract: Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic advances being necessary to fully utilise even the modest NISQ machines available today. We discuss a method of ground state energy estimation predicated on a par… ▽ More Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic advances being necessary to fully utilise even the modest NISQ machines available today. We discuss a method of ground state energy estimation predicated on a partitioning the molecular Hamiltonian into two parts: one that is noncontextual and can be solved classically, supplemented by a contextual component that yields quantum corrections obtained via a Variational Quantum Eigensolver (VQE) routine. This approach has been termed Contextual Subspace VQE (CS-VQE), but there are obstacles to overcome before it can be deployed on NISQ devices. The problem we address here is that of the ansatz - a parametrized quantum state over which we optimize during VQE. It is not initially clear how a splitting of the Hamiltonian should be reflected in our CS-VQE ansätze. We propose a 'noncontextual projection' approach that is illuminated by a reformulation of CS-VQE in the stabilizer formalism. This defines an ansatz restriction from the full electronic structure problem to the contextual subspace and facilitates an implementation of CS-VQE that may be deployed on NISQ devices. We validate the noncontextual projection ansatz using a quantum simulator, with results obtained herein for a suite of trial molecules. △ Less

Submitted 30 August, 2022; v1 submitted 5 April, 2022; originally announced April 2022.

Comments: 37 pages, 3 figures; supporting information available in addition to ancillary data files for reproducibility

CAFQA: A classical simulation bootstrap for variational quantum algorithms

Authors: Gokul Subramanian Ravi, Pranav Gokhale, Yi Ding, William M. Kirby, Kaitlin N. Smith, Jonathan M. Baker, Peter J. Love, Henry Hoffmann, Kenneth R. Brown, Frederic T. Chong

Abstract: This work tackles the problem of finding a good ansatz initialization for Variational Quantum Algorithms (VQAs), by proposing CAFQA, a Clifford Ansatz For Quantum Accuracy. The CAFQA ansatz is a hardware-efficient circuit built with only Clifford gates. In this ansatz, the parameters for the tunable gates are chosen by searching efficiently through the Clifford parameter space via classical simula… ▽ More This work tackles the problem of finding a good ansatz initialization for Variational Quantum Algorithms (VQAs), by proposing CAFQA, a Clifford Ansatz For Quantum Accuracy. The CAFQA ansatz is a hardware-efficient circuit built with only Clifford gates. In this ansatz, the parameters for the tunable gates are chosen by searching efficiently through the Clifford parameter space via classical simulation. The resulting initial states always equal or outperform traditional classical initialization (e.g., Hartree-Fock), and enable high-accuracy VQA estimations. CAFQA is well-suited to classical computation because: a) Clifford-only quantum circuits can be exactly simulated classically in polynomial time, and b) the discrete Clifford space is searched efficiently via Bayesian Optimization. For the Variational Quantum Eigensolver (VQE) task of molecular ground state energy estimation (up to 18 qubits), CAFQA's Clifford Ansatz achieves a mean accuracy of nearly 99% and recovers as much as 99.99% of the molecular correlation energy that is lost in Hartree-Fock initialization. CAFQA achieves mean accuracy improvements of 6.4x and 56.8x, over the state-of-the-art, on different metrics. The scalability of the approach allows for preliminary ground state energy estimation of the challenging chromium dimer (Cr$_2$) molecule. With CAFQA's high-accuracy initialization, the convergence of VQAs is shown to accelerate by 2.5x, even for small molecules. Furthermore, preliminary exploration of allowing a limited number of non-Clifford (T) gates in the CAFQA framework, shows that as much as 99.9% of the correlation energy can be recovered at bond lengths for which Clifford-only CAFQA accuracy is relatively limited, while remaining classically simulable. △ Less

Submitted 29 September, 2023; v1 submitted 25 February, 2022; originally announced February 2022.

Comments: Appears at the 28th Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS 2023). Previous title - CAFQA: Clifford Ansatz For Quantum Accuracy. Paper revised to ASPLOS requirements, added additional improvements to the CAFQA framework / evaluation. Added preliminary exploration on CAFQA with T gates

Limitations of Local Quantum Algorithms on Random Max-k-XOR and Beyond

Authors: Chi-Ning Chou, Peter J. Love, Juspreet Singh Sandhu, Jonathan Shi

Abstract: We introduce a notion of \emph{generic local algorithm} which strictly generalizes existing frameworks of local algorithms such as \emph{factors of i.i.d.} by capturing local \emph{quantum} algorithms such as the Quantum Approximate Optimization Algorithm (QAOA). Motivated by a question of Farhi et al. [arXiv:1910.08187, 2019] we then show limitations of generic local algorithms including QAOA o… ▽ More We introduce a notion of \emph{generic local algorithm} which strictly generalizes existing frameworks of local algorithms such as \emph{factors of i.i.d.} by capturing local \emph{quantum} algorithms such as the Quantum Approximate Optimization Algorithm (QAOA). Motivated by a question of Farhi et al. [arXiv:1910.08187, 2019] we then show limitations of generic local algorithms including QAOA on random instances of constraint satisfaction problems (CSPs). Specifically, we show that any generic local algorithm whose assignment to a vertex depends only on a local neighborhood with $o(n)$ other vertices (such as the QAOA at depth less than $ε\log(n)$) cannot arbitrarily-well approximate boolean CSPs if the problem satisfies a geometric property from statistical physics called the coupled overlap-gap property (OGP) [Chen et al., Annals of Probability, 47(3), 2019]. We show that the random MAX-k-XOR problem has this property when $k\geq4$ is even by extending the corresponding result for diluted $k$-spin glasses. Our concentration lemmas confirm a conjecture of Brandao et al. [arXiv:1812.04170, 2018] asserting that the landscape independence of QAOA extends to logarithmic depth -- in other words, for every fixed choice of QAOA angle parameters, the algorithm at logarithmic depth performs almost equally well on almost all instances. One of these concentration lemmas is a strengthening of McDiarmid's inequality, applicable when the random variables have a highly biased distribution, and may be of independent interest. △ Less

Submitted 21 February, 2022; v1 submitted 12 August, 2021; originally announced August 2021.

Comments: 59 pages, 2 figures. Third version has an updated abstract, an introduction with a more complete literature review, and open questions, as well as a fix to some typos in Section-5 and Section-6. The second version was updated with a new proof that demonstrated a coupled OGP for Random Max-k-XOR (signed)

Counterdiabaticity and the quantum approximate optimization algorithm

Authors: Jonathan Wurtz, Peter J. Love

Abstract: The quantum approximate optimization algorithm (QAOA) is a near-term hybrid algorithm intended to solve combinatorial optimization problems, such as MaxCut. QAOA can be made to mimic an adiabatic schedule, and in the $p\to\infty$ limit the final state is an exact maximal eigenstate in accordance with the adiabatic theorem. In this work, the connection between QAOA and adiabaticity is made explicit… ▽ More The quantum approximate optimization algorithm (QAOA) is a near-term hybrid algorithm intended to solve combinatorial optimization problems, such as MaxCut. QAOA can be made to mimic an adiabatic schedule, and in the $p\to\infty$ limit the final state is an exact maximal eigenstate in accordance with the adiabatic theorem. In this work, the connection between QAOA and adiabaticity is made explicit by inspecting the regime of $p$ large but finite. By connecting QAOA to counterdiabatic (CD) evolution, we construct CD-QAOA angles which mimic a counterdiabatic schedule by matching Trotter "error" terms to approximate adiabatic gauge potentials which suppress diabatic excitations arising from finite ramp speed. In our construction, these "error" terms are helpful, not detrimental, to QAOA. Using this matching to link QAOA with quantum adiabatic algorithms (QAA), we show that the approximation ratio converges to one at least as $1-C(p)\sim 1/p^μ$. We show that transfer of parameters between graphs, and interpolating angles for $p+1$ given $p$ are both natural byproducts of CD-QAOA matching. Optimization of CD-QAOA angles is equivalent to optimizing a continuous adiabatic schedule. Finally, we show that, using a property of variational adiabatic gauge potentials, QAOA is at least counterdiabatic, not just adiabatic, and has better performance than finite time adiabatic evolution. We demonstrate the method on three examples: a 2 level system, an Ising chain, and the MaxCut problem. △ Less

Submitted 22 January, 2022; v1 submitted 29 June, 2021; originally announced June 2021.

Comments: 27 pages, 6 figures

Journal ref: Quantum 6, 635 (2022)

Quantum and Classical Bayesian Agents

Authors: John B. DeBrota, Peter J. Love

Abstract: We describe a general approach to modeling rational decision-making agents who adopt either quantum or classical mechanics based on the Quantum Bayesian (QBist) approach to quantum theory. With the additional ingredient of a scheme by which the properties of one agent may influence another, we arrive at a flexible framework for treating multiple interacting quantum and classical Bayesian agents. W… ▽ More We describe a general approach to modeling rational decision-making agents who adopt either quantum or classical mechanics based on the Quantum Bayesian (QBist) approach to quantum theory. With the additional ingredient of a scheme by which the properties of one agent may influence another, we arrive at a flexible framework for treating multiple interacting quantum and classical Bayesian agents. We present simulations in several settings to illustrate our construction: quantum and classical agents receiving signals from an exogenous source, two interacting classical agents, two interacting quantum agents, and interactions between classical and quantum agents. A consistent treatment of multiple interacting users of quantum theory may allow us to properly interpret existing multi-agent protocols and could suggest new approaches in other areas such as quantum algorithm design. △ Less

Submitted 11 May, 2022; v1 submitted 16 June, 2021; originally announced June 2021.

Comments: 51 pages, 17 figures

Journal ref: Quantum 6, 713 (2022)

Quantum Simulation of Second-Quantized Hamiltonians in Compact Encoding

Authors: William M. Kirby, Sultana Hadi, Michael Kreshchuk, Peter J. Love

Abstract: We describe methods for simulating general second-quantized Hamiltonians using the compact encoding, in which qubit states encode only the occupied modes in physical occupation number basis states. These methods apply to second-quantized Hamiltonians composed of a constant number of interactions, i.e., linear combinations of ladder operator monomials of fixed form. Compact encoding leads to qubit… ▽ More We describe methods for simulating general second-quantized Hamiltonians using the compact encoding, in which qubit states encode only the occupied modes in physical occupation number basis states. These methods apply to second-quantized Hamiltonians composed of a constant number of interactions, i.e., linear combinations of ladder operator monomials of fixed form. Compact encoding leads to qubit requirements that are optimal up to logarithmic factors. We show how to use sparse Hamiltonian simulation methods for second-quantized Hamiltonians in compact encoding, give explicit implementations for the required oracles, and analyze the methods. We also describe several example applications including the free boson and fermion theories, the $φ^4$-theory, and the massive Yukawa model, all in both equal-time and light-front quantization. Our methods provide a general-purpose tool for simulating second-quantized Hamiltonians, with optimal or near-optimal scaling with error and model parameters. △ Less

Submitted 28 June, 2022; v1 submitted 23 May, 2021; originally announced May 2021.

Comments: published version with some corrections; 27 pages, 4 figures

Journal ref: Phys. Rev. A 104, 042607 (2021)

Benchmarking near-term quantum devices with the Variational Quantum Eigensolver and the Lipkin-Meshkov-Glick model

Authors: Kenneth Robbins, Peter J. Love

Abstract: The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the exactly-diagonalizable Lipkin-Meshkov-Glick (LMG) model as a candidate for benchmarking NISQ computers. We use the Bethe ansatz to construct eigenstates of the tr… ▽ More The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the exactly-diagonalizable Lipkin-Meshkov-Glick (LMG) model as a candidate for benchmarking NISQ computers. We use the Bethe ansatz to construct eigenstates of the trigonometric LMG model using quantum circuits inspired by the LMG's underlying algebraic structure. We construct circuits with depth $\mathcal{O}(N)$ and $\mathcal{O}(\log_2N)$ that can prepare any trigonometric LMG eigenstate of $N$ particles. The number of gates required for both circuits is $\mathcal{O}(N)$. The energies of the eigenstates can then be measured and compared to the exactly-known answers. △ Less

Submitted 2 August, 2021; v1 submitted 14 May, 2021; originally announced May 2021.

Comments: 15 pages, 4 figures, 1 table

Journal ref: Phys. Rev. A 104, 022412 (2021)

Classically optimal variational quantum algorithms

Authors: Jonathan Wurtz, Peter Love

Abstract: Hybrid quantum-classical algorithms, such as variational quantum algorithms (VQA), are suitable for implementation on NISQ computers. In this Letter we expand an implicit step of VQAs: the classical pre-computation subroutine which can non-trivially use classical algorithms to simplify, transform, or specify problem instance-specific variational quantum circuits. In VQA there is a trade-off betwee… ▽ More Hybrid quantum-classical algorithms, such as variational quantum algorithms (VQA), are suitable for implementation on NISQ computers. In this Letter we expand an implicit step of VQAs: the classical pre-computation subroutine which can non-trivially use classical algorithms to simplify, transform, or specify problem instance-specific variational quantum circuits. In VQA there is a trade-off between quality of solution and difficulty of circuit construction and optimization. In one extreme, we find VQA for MAXCUT which are exact, but circuit design or variational optimization is NP-HARD. At the other extreme are low depth VQA, such as QAOA, with tractable circuit construction and optimization but poor approximation ratios. Combining these two we define the Spanning Tree QAOA (ST-QAOA) to solve MAXCUT, which uses an ansatz whose structure is derived from an approximate classical solution and achieves the same performance guarantee as the classical algorithm and hence can outperform QAOA at low depth. In general, we propose integrating these classical pre-computation subroutines into VQA to improve heuristic or guaranteed performance. △ Less

Submitted 31 March, 2021; originally announced March 2021.

Comments: 5 pages, 3 figures

Variational quantum eigensolvers for sparse Hamiltonians

Authors: William M. Kirby, Peter J. Love

Abstract: Hybrid quantum-classical variational algorithms such as the variational quantum eigensolver (VQE) and the quantum approximate optimization algorithm (QAOA) are promising applications for noisy, intermediate-scale quantum (NISQ) computers. Both VQE and QAOA variationally extremize the expectation value of a Hamiltonian. All work to date on VQE and QAOA has been limited to Pauli representations of H… ▽ More Hybrid quantum-classical variational algorithms such as the variational quantum eigensolver (VQE) and the quantum approximate optimization algorithm (QAOA) are promising applications for noisy, intermediate-scale quantum (NISQ) computers. Both VQE and QAOA variationally extremize the expectation value of a Hamiltonian. All work to date on VQE and QAOA has been limited to Pauli representations of Hamiltonians. However, many cases exist in which a sparse representation of the Hamiltonian is known but there is no efficient Pauli representation. We extend VQE to general sparse Hamiltonians. We provide a decomposition of a fermionic second-quantized Hamiltonian into a number of one-sparse, self-inverse, Hermitian terms linear in the number of ladder operator monomials in the second-quantized representation. We provide a decomposition of a general $d$-sparse Hamiltonian into $O(d^2)$ such terms. In both cases a single sample of any term can be obtained using two ansatz state preparations and at most six oracle queries. The number of samples required to estimate the expectation value to precision $ε$ scales as $ε^{-2}$ as for Pauli-based VQE. This widens the domain of applicability of VQE to systems whose Hamiltonian and other observables are most efficiently described in terms of sparse matrices. △ Less

Submitted 9 September, 2021; v1 submitted 13 December, 2020; originally announced December 2020.

Comments: published version; 12 pages, 5 figures

Journal ref: Phys. Rev. Lett. 127, 110503 (2021)

Implementation of Measurement Reduction for the Variational Quantum Eigensolver

Authors: Alexis Ralli, Peter Love, Andrew Tranter, Peter Coveney

Abstract: One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the problem Hamiltonian into one containing fewer terms. We explore two different circuit constructions of the transformation required - one built by a sequence of rot… ▽ More One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the problem Hamiltonian into one containing fewer terms. We explore two different circuit constructions of the transformation required - one built by a sequence of rotations and the other a linear combination of unitaries (LCU). To assess performance, we simulated chemical Hamiltonians and studied the ground states of H2 and LiH. Both implementations are successful even in the presence of noise. The sequence of rotations realization offers the greatest benefit to calculations, whereas the probabilistic nature of LCU reduces its effectiveness. To our knowledge, this work also demonstrates the first experimental implementation of LCU on quantum hardware. △ Less

Submitted 28 July, 2021; v1 submitted 4 December, 2020; originally announced December 2020.

Comments: Revised order of paper, and further background details about the LCU method added. A unary implementation of LCU is also explored. Results unchanged

Journal ref: Phys. Rev. Research 3, 033195 (2021)

Simulating Hadronic Physics on NISQ devices using Basis Light-Front Quantization

Authors: Michael Kreshchuk, Shaoyang Jia, William M. Kirby, Gary Goldstein, James P. Vary, Peter J. Love

Abstract: The analogy between quantum chemistry and light-front quantum field theory, first noted by Kenneth G. Wilson, serves as motivation to develop light-front quantum simulation of quantum field theory. We demonstrate how calculations of hadron structure can be performed on Noisy Intermediate-Scale Quantum devices within the Basis Light-Front Quantization framework. We calculate the light-front wave fu… ▽ More The analogy between quantum chemistry and light-front quantum field theory, first noted by Kenneth G. Wilson, serves as motivation to develop light-front quantum simulation of quantum field theory. We demonstrate how calculations of hadron structure can be performed on Noisy Intermediate-Scale Quantum devices within the Basis Light-Front Quantization framework. We calculate the light-front wave functions of pions using an effective light-front Hamiltonian in a basis representation on a current quantum processor. We use the Variational Quantum Eigensolver to find the ground state energy and wave function, which is subsequently used to calculate pion mass radius, decay constant, elastic form factor, and charge radius. △ Less

Submitted 26 November, 2020; originally announced November 2020.

Comments: 25 pages, 8 figures, 5 tables

Journal ref: Phys. Rev. A 103, 062601 (2021)

Contextual Subspace Variational Quantum Eigensolver

Authors: William M. Kirby, Andrew Tranter, Peter J. Love

Abstract: We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contributio… ▽ More We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contribution is obtained by using the variational quantum eigensolver (VQE) technique to compute a contextual correction on a quantum processor. In general the VQE computation of the contextual correction uses fewer qubits and measurements than the VQE computation of the original problem. Varying the number of qubits used for the contextual correction adjusts the quality of the approximation. We simulate CS-VQE on tapered Hamiltonians for small molecules, and find that the number of qubits required to reach chemical accuracy can be reduced by more than a factor of two. The number of terms required to compute the contextual correction can be reduced by more than a factor of ten, without the use of other measurement reduction schemes. This indicates that CS-VQE is a promising approach for eigenvalue computations on noisy intermediate-scale quantum devices. △ Less

Submitted 12 May, 2021; v1 submitted 19 November, 2020; originally announced November 2020.

Comments: 18 pages, 5 figures

Journal ref: Quantum 5, 456 (2021)

Lipkin model on a quantum computer

Authors: Michael J. Cervia, A. B. Balantekin, S. N. Coppersmith, Calvin W. Johnson, Peter J. Love, C. Poole, K. Robbins, M. Saffman

Abstract: Atomic nuclei are important laboratories for exploring and testing new insights into the universe, such as experiments to directly detect dark matter or explore properties of neutrinos. The targets of interest are often heavy, complex nuclei that challenge our ability to reliably model them (as well as quantify the uncertainty of those models) with classical computers. Hence there is great interes… ▽ More Atomic nuclei are important laboratories for exploring and testing new insights into the universe, such as experiments to directly detect dark matter or explore properties of neutrinos. The targets of interest are often heavy, complex nuclei that challenge our ability to reliably model them (as well as quantify the uncertainty of those models) with classical computers. Hence there is great interest in applying quantum computation to nuclear structure for these applications. As an early step in this direction, especially with regards to the uncertainties in the relevant quantum calculations, we develop circuits to implement variational quantum eigensolver (VQE) algorithms for the Lipkin-Meshkov-Glick model, which is often used in the nuclear physics community as a testbed for many-body methods. We present quantum circuits for VQE for two and three particles and discuss the construction of circuits for more particles. Implementing the VQE for a two-particle system on the IBM Quantum Experience, we identify initialization and two-qubit gates as the largest sources of error. We find that error mitigation procedures reduce the errors in the results significantly, but additional quantum hardware improvements are needed for quantum calculations to be sufficiently accurate to be competitive with the best current classical methods. △ Less

Submitted 18 September, 2021; v1 submitted 8 November, 2020; originally announced November 2020.

Comments: 11 pages of RevTeX, 8 figures

Journal ref: Phys. Rev. C 104, 024305 (2021)

MAXCUT QAOA performance guarantees for p >1

Authors: Jonathan Wurtz, Peter J. Love

Abstract: We obtain worst case performance guarantees for $p=2$ and $3$ QAOA for MAXCUT on uniform 3-regular graphs. Previous work by Farhi et al obtained a lower bound on the approximation ratio of $0.692$ for $p=1$. We find a lower bound of $0.7559$ for $p=2$, where worst case graphs are those with no cycles $\leq 5$. This bound holds for any 3 regular graph evaluated at particular fixed parameters. We co… ▽ More We obtain worst case performance guarantees for $p=2$ and $3$ QAOA for MAXCUT on uniform 3-regular graphs. Previous work by Farhi et al obtained a lower bound on the approximation ratio of $0.692$ for $p=1$. We find a lower bound of $0.7559$ for $p=2$, where worst case graphs are those with no cycles $\leq 5$. This bound holds for any 3 regular graph evaluated at particular fixed parameters. We conjecture a hierarchy for all $p$, where worst case graphs have with no cycles $\leq 2p+1$. Under this conjecture, the approximation ratio is at least $0.7924$ for all 3 regular graphs and $p=3$. In addition, using a simple indistinguishability argument we find an upper bound on the worst case approximation ratio for all $p$, which indicates classes of graphs for which there can be no quantum advantage for at least $p<6$. △ Less

Submitted 2 February, 2021; v1 submitted 21 October, 2020; originally announced October 2020.

Comments: 17 pages, 13 figures

Journal ref: Phys. Rev. A 103, 042612 (2021)

Light-Front Field Theory on Current Quantum Computers

Authors: Michael Kreshchuk, Shaoyang Jia, William M. Kirby, Gary Goldstein, James P. Vary, Peter J. Love

Abstract: We present a quantum algorithm for simulation of quantum field theory in the light-front formulation and demonstrate how existing quantum devices can be used to study the structure of bound states in relativistic nuclear physics. Specifically, we apply the Variational Quantum Eigensolver algorithm to find the ground state of the light-front Hamiltonian obtained within the Basis Light-Front Quantiz… ▽ More We present a quantum algorithm for simulation of quantum field theory in the light-front formulation and demonstrate how existing quantum devices can be used to study the structure of bound states in relativistic nuclear physics. Specifically, we apply the Variational Quantum Eigensolver algorithm to find the ground state of the light-front Hamiltonian obtained within the Basis Light-Front Quantization framework. As a demonstration, we calculate the mass, mass radius, decay constant, electromagnetic form factor, and charge radius of the pion on the IBMQ Vigo chip. We consider two implementations based on different encodings of physical states, and propose a development that may lead to quantum advantage. This is the first time that the light-front approach to quantum field theory has been used to enable simulation of a real physical system on a quantum computer. △ Less

Submitted 16 September, 2020; originally announced September 2020.

Comments: 5 pages, 4 figures, 2 tables

Journal ref: Entropy 2021, 23, 597

Feynman-path type simulation using stabilizer projector decomposition of unitaries

Authors: Yifei Huang, Peter Love

Abstract: We propose a classical simulation method for quantum circuits based on decomposing unitary gates into a sum of stabilizer projectors. By only decomposing the non-Clifford gates, we take advantage of the Gottesman-Knill theorem and build a bridge between stabilizer-based simulation and Feynman-path-type simulation. We give two variants of this method: stabilizer-based path-integral recursion (SPIR)… ▽ More We propose a classical simulation method for quantum circuits based on decomposing unitary gates into a sum of stabilizer projectors. By only decomposing the non-Clifford gates, we take advantage of the Gottesman-Knill theorem and build a bridge between stabilizer-based simulation and Feynman-path-type simulation. We give two variants of this method: stabilizer-based path-integral recursion (SPIR) and stabilizer projector contraction (SPC). We also analyze further advantages and disadvantages of our method compared to the Bravyi-Gosset algorithm and recursive Feynman path-integral algorithms. We construct a parametrized circuit ensemble and identify the parameter regime in this ensemble where our method offers superior performance. We also estimate the time cost for simulating quantum supremacy experiments with our method and motivate potential improvements of the method. △ Less

Submitted 19 February, 2021; v1 submitted 10 September, 2020; originally announced September 2020.

Journal ref: Phys. Rev. A 103, 022428 (2021)

Classical Simulation of Noncontextual Pauli Hamiltonians

Authors: William M. Kirby, Peter J. Love

Abstract: Noncontextual Pauli Hamiltonians decompose into sets of Pauli terms to which joint values may be assigned without contradiction. We construct a quasi-quantized model for noncontextual Pauli Hamiltonians. Using this model, we give an algorithm to classically simulate noncontextual VQE. We also use the model to show that the noncontextual Hamiltonian problem is NP-complete. Finally, we explore the a… ▽ More Noncontextual Pauli Hamiltonians decompose into sets of Pauli terms to which joint values may be assigned without contradiction. We construct a quasi-quantized model for noncontextual Pauli Hamiltonians. Using this model, we give an algorithm to classically simulate noncontextual VQE. We also use the model to show that the noncontextual Hamiltonian problem is NP-complete. Finally, we explore the applicability of our quasi-quantized model as an approximate simulation tool for contextual Hamiltonians. These results support the notion of noncontextuality as classicality in near-term quantum algorithms. △ Less

Submitted 24 September, 2020; v1 submitted 13 February, 2020; originally announced February 2020.

Comments: 15 pages

Journal ref: Phys. Rev. A 102, 032418 (2020)

Quantum Simulation of Quantum Field Theory in the Light-Front Formulation

Authors: Michael Kreshchuk, William M. Kirby, Gary Goldstein, Hugo Beauchemin, Peter J. Love

Abstract: Quantum chromodynamics (QCD) describes the structure of hadrons such as the proton at a fundamental level. The precision of calculations in QCD limits the precision of the values of many physical parameters extracted from collider data. For example, uncertainty in the parton distribution function (PDF) is the dominant source of error in the $W$ mass measurement at the LHC. Improving the precision… ▽ More Quantum chromodynamics (QCD) describes the structure of hadrons such as the proton at a fundamental level. The precision of calculations in QCD limits the precision of the values of many physical parameters extracted from collider data. For example, uncertainty in the parton distribution function (PDF) is the dominant source of error in the $W$ mass measurement at the LHC. Improving the precision of such measurements is essential in the search for new physics. Quantum simulation offers an efficient way of studying quantum field theories (QFTs) such as QCD non-perturbatively. Previous quantum algorithms for simulating QFTs have qubit requirements that are well beyond the most ambitious experimental proposals for large-scale quantum computers. Can the qubit requirements for such algorithms be brought into range of quantum computation with several thousand logical qubits? We show how this can be achieved by using the light-front formulation of quantum field theory. This work was inspired by the similarity of the light-front formulation to quantum chemistry, first noted by Kenneth Wilson. △ Less

Submitted 26 August, 2020; v1 submitted 10 February, 2020; originally announced February 2020.

Comments: 58 pages, 3 figures, 1 table

Journal ref: Phys. Rev. A 105, 032418 (2022)

Ordering of Trotterization: Impact on Errors in Quantum Simulation of Electronic Structure

Authors: Andrew Tranter, Peter J. Love, Florian Mintert, Nathan Wiebe, Peter V. Coveney

Abstract: Trotter-Suzuki decompositions are frequently used in the quantum simulation of quantum chemistry. They transform the evolution operator into a form implementable on a quantum device, while incurring an error---the Trotter error. The Trotter error can be made arbitrarily small by increasing the Trotter number. However, this increases the length of the quantum circuits required, which may be impract… ▽ More Trotter-Suzuki decompositions are frequently used in the quantum simulation of quantum chemistry. They transform the evolution operator into a form implementable on a quantum device, while incurring an error---the Trotter error. The Trotter error can be made arbitrarily small by increasing the Trotter number. However, this increases the length of the quantum circuits required, which may be impractical. It is therefore desirable to find methods of reducing the Trotter error through alternate means. The Trotter error is dependent on the order in which individual term unitaries are applied. Due to the factorial growth in the number of possible orderings with respect to the number of terms, finding an optimal strategy for ordering Trotter sequences is difficult. In this paper, we propose three ordering strategies, and assess their impact on the Trotter error incurred. Initially, we exhaustively examine the possible orderings for molecular hydrogen in a STO-3G basis. We demonstrate how the optimal ordering scheme depends on the compatibility graph of the Hamiltonian, and show how it varies with increasing bond length. We then use 44 molecular Hamiltonians to evaluate two strategies based on coloring their incompatibility graphs, while considering the properties of the obtained colorings. We find that the Trotter error for most systems involving heavy atoms, using a reference magnitude ordering, is less than 1 kcal/mol. Relative to this, the difference between ordering schemes can be substantial, being approximately on the order of millihartrees. The coloring-based ordering schemes are reasonably promising, however further work is required. Finally, we consider ordering strategies based on the norm of the Trotter error operator, including an iterative method for generating the new error operator terms added upon insertion of a term into an ordered Hamiltonian. △ Less

Submitted 16 December, 2019; originally announced December 2019.

Comments: 36 pages, 11 figures

Journal ref: Entropy 2019, 21(12), 1218

Measurement reduction in variational quantum algorithms

Authors: Andrew Zhao, Andrew Tranter, William M. Kirby, Shu Fay Ung, Akimasa Miyake, Peter Love

Abstract: Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The number of terms can become overwhelmingly large for problems at the scale of NISQ hardware that may soon be available. We approach this problem from the perspective… ▽ More Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The number of terms can become overwhelmingly large for problems at the scale of NISQ hardware that may soon be available. We approach this problem from the perspective of contextuality, and use unitary partitioning (developed independently by Izmaylov et al. [J. Chem. Theory Comput. 16, 190 (2020)]) to define variational quantum eigensolver procedures in which additional unitary operations are appended to the ansatz preparation to reduce the number of terms. This approach may be scaled to use all coherent resources available after ansatz preparation. We also study the use of asymmetric qubitization to implement the additional coherent operations with lower circuit depth. We investigate this technique for lattice Hamiltonians, random Pauli Hamiltonians, and electronic structure Hamiltonians. Using this technique, we find a constant factor speedup for lattice and random Pauli Hamiltonians. For electronic structure Hamiltonians, we prove that linear term reduction with respect to the number of orbitals, which has been previously observed in numerical studies, is always achievable. For systems represented on 10--30 qubits, we find that there is a reduction in the number of terms by approximately an order of magnitude. Applied to the plane-wave dual basis representation of fermionic Hamiltonians, however, unitary partitioning offers only a constant factor reduction. Finally, we show that noncontextual Hamiltonians may be reduced to effective commuting Hamiltonians using unitary partitioning. △ Less

Submitted 23 June, 2020; v1 submitted 21 August, 2019; originally announced August 2019.

Comments: 21 pages, 4 figures; revised to reflect final version appearing in PRA

Journal ref: Phys. Rev. A 101, 062322 (2020)

Contextuality Test of the Nonclassicality of Variational Quantum Eigensolvers

Authors: William M. Kirby, Peter J. Love

Abstract: Contextuality is an indicator of non-classicality, and a resource for various quantum procedures. In this paper, we use contextuality to evaluate the variational quantum eigensolver (VQE), one of the most promising tools for near-term quantum simulation. We present an efficiently computable test to determine whether or not the objective function for a VQE procedure is contextual. We apply this tes… ▽ More Contextuality is an indicator of non-classicality, and a resource for various quantum procedures. In this paper, we use contextuality to evaluate the variational quantum eigensolver (VQE), one of the most promising tools for near-term quantum simulation. We present an efficiently computable test to determine whether or not the objective function for a VQE procedure is contextual. We apply this test to evaluate the contextuality of experimental implementations of VQE, and determine that several, but not all, fail this test of quantumness. △ Less

Submitted 6 February, 2020; v1 submitted 3 April, 2019; originally announced April 2019.

Comments: 14 pages, 8 figures

Journal ref: Phys. Rev. Lett. 123, 200501 (2019)

A comparison of the Bravyi-Kitaev and Jordan-Wigner transformations for the quantum simulation of quantum chemistry

Authors: Andrew Tranter, Peter J. Love, Florian Mintert, Peter V. Coveney

Abstract: The ability to perform classically intractable electronic structure calculations is often cited as one of the principal applications of quantum computing. A great deal of theoretical algorithmic development has been performed in support of this goal. Most techniques require a scheme for mapping electronic states and operations to states of and operations upon qubits. The two most commonly used tec… ▽ More The ability to perform classically intractable electronic structure calculations is often cited as one of the principal applications of quantum computing. A great deal of theoretical algorithmic development has been performed in support of this goal. Most techniques require a scheme for mapping electronic states and operations to states of and operations upon qubits. The two most commonly used techniques for this are the Jordan-Wigner transformation and the Bravyi-Kitaev transformation. However, comparisons of these schemes have previously been limited to individual small molecules. In this paper we discuss resource implications for the use of the Bravyi-Kitaev mapping scheme, specifically with regard to the number of quantum gates required for simulation. We consider both small systems which may be simulatable on near-future quantum devices, and systems sufficiently large for classical simulation to be intractable. We use 86 molecular systems to demonstrate that the use of the Bravyi-Kitaev transformation is typically at least approximately as efficient as the canonical Jordan-Wigner transformation, and results in substantially reduced gate count estimates when performing limited circuit optimisations. △ Less

Submitted 5 December, 2018; originally announced December 2018.

Comments: 46 pages, 11 figures

Journal ref: J. Chem. Theory Comput., 2018, 14 (11), pp 5617-5630

Stationary Phase Method in Discrete Wigner Functions and Classical Simulation of Quantum Circuits

Authors: Lucas Kocia, Peter Love

Abstract: One of the lowest-order corrections to Gaussian quantum mechanics in infinite-dimensional Hilbert spaces are Airy functions: a uniformization of the stationary phase method applied in the path integral perspective. We introduce a "periodized stationary phase method" to discrete Wigner functions of systems with odd prime dimension and show that the $\fracπ{8}$ gate is the discrete analog of the Air… ▽ More One of the lowest-order corrections to Gaussian quantum mechanics in infinite-dimensional Hilbert spaces are Airy functions: a uniformization of the stationary phase method applied in the path integral perspective. We introduce a "periodized stationary phase method" to discrete Wigner functions of systems with odd prime dimension and show that the $\fracπ{8}$ gate is the discrete analog of the Airy function. We then establish a relationship between the stabilizer rank of states and the number of quadratic Gauss sums necessary in the periodized stationary phase method. This allows us to develop a classical strong simulation of a single qutrit marginal on $t$ qutrit $\fracπ{8}$ gates that are followed by Clifford evolution, and show that this only requires $3^{\frac{t}{2}+1}$ quadratic Gauss sums. This outperforms the best alternative qutrit algorithm (based on Wigner negativity and scaling as $\sim\hspace{-3pt} 3^{0.8 t}$ for $10^{-2}$ precision) for any number of $\fracπ{8}$ gates to full precision. △ Less

Submitted 29 June, 2021; v1 submitted 8 October, 2018; originally announced October 2018.

Comments: Quantum Journal version

Journal ref: Quantum 5, 494 (2021)

Approximate stabilizer rank and improved weak simulation of Clifford-dominated circuits for qudits

Authors: Yifei Huang, Peter Love

Abstract: Bravyi and Gosset recently gave classical simulation algorithms for quantum circuits dominated by Clifford operations. These algorithms scale exponentially with the number of T-gate in the circuit, but polynomially in the number of qubits and Clifford operations. Here we extend their algorithm to qudits of odd prime dimensions. We generalize their approximate stabilizer rank method for weak simula… ▽ More Bravyi and Gosset recently gave classical simulation algorithms for quantum circuits dominated by Clifford operations. These algorithms scale exponentially with the number of T-gate in the circuit, but polynomially in the number of qubits and Clifford operations. Here we extend their algorithm to qudits of odd prime dimensions. We generalize their approximate stabilizer rank method for weak simulation to qudits and obtain the scaling of the approximate stabilizer rank with the number of single-qudit magic states. We also relate the canonical form of qudit stabilizer states to Gauss sum evaluations. We give an O(n^3) algorithm to calculating the inner product of two n-qudit stabilizer states. △ Less

Submitted 18 December, 2018; v1 submitted 7 August, 2018; originally announced August 2018.

Comments: 14 pages, 2 figures

Journal ref: Phys. Rev. A 99, 052307 (2019)

The Non-Disjoint Ontic States of the Grassmann Ontological Model, Transformation Contextuality, and the Single Qubit Stabilizer Subtheory

Authors: Lucas Kocia, Peter Love

Abstract: We show that it is possible to construct a preparation non-contextual ontological model that does not exhibit "transformation contextuality" for single qubits in the stabilizer subtheory. In particular, we consider the "blowtorch" map and show that it does not exhibit transformation contextuality under the Grassmann Wigner-Weyl-Moyal (WWM) qubit formalism. Furthermore, the transformation in this f… ▽ More We show that it is possible to construct a preparation non-contextual ontological model that does not exhibit "transformation contextuality" for single qubits in the stabilizer subtheory. In particular, we consider the "blowtorch" map and show that it does not exhibit transformation contextuality under the Grassmann Wigner-Weyl-Moyal (WWM) qubit formalism. Furthermore, the transformation in this formalism can be fully expressed at order $\hbar^0$ and so does not qualify as a candidate quantum phenomenon. In particular, we find that the Grassmann WWM formalism at order $\hbar^0$ corresponds to an ontological model governed by an additional set of constraints arising from the relations defining the Grassmann algebra. Due to this additional set of constraints, the allowed probability distributions in this model do not form a single convex set when expressed in terms of disjoint ontic states and so cannot be mapped to models whose states form a single convex set over disjoint ontic states. However, expressing the Grassmann WWM ontological model in terms of non-disjoint ontic states corresponding to the monomials of the Grassmann algebra results in a single convex set. We further show that a recent result by Lillystone et al. that proves a broad class of preparation and measurement non-contextual ontological models must exhibit transformation contextuality lacks the generality to include the ontological model considered here; Lillystone et al.'s result is appropriately limited to ontological models whose states produce a single convex set when expressed in terms of disjoint ontic states. Therefore, we prove that for the qubit stabilizer subtheory to be captured by a preparation, transformation and measurement non-contextual ontological theory, it must be expressed in terms of non-disjoint ontic states, unlike the case for the odd-dimensional single-qudit stabilizer subtheory. △ Less

Submitted 24 May, 2018; originally announced May 2018.

Quantum chemistry calculations on a trapped-ion quantum simulator

Authors: Cornelius Hempel, Christine Maier, Jonathan Romero, Jarrod McClean, Thomas Monz, Heng Shen, Petar Jurcevic, Ben Lanyon, Peter Love, Ryan Babbush, Alan Aspuru-Guzik, Rainer Blatt, Christian Roos

Abstract: Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report on the experimental implementation of such an algorithm to solve a quantum chemistry problem, using a digital quantum simulator based on trapped ions. Specifical… ▽ More Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report on the experimental implementation of such an algorithm to solve a quantum chemistry problem, using a digital quantum simulator based on trapped ions. Specifically, we implement the variational quantum eigensolver algorithm to calculate the molecular ground state energies of two simple molecules and experimentally demonstrate and compare different encoding methods using up to four qubits. Furthermore, we discuss the impact of measurement noise as well as mitigation strategies and indicate the potential for adaptive implementations focused on reaching chemical accuracy, which may serve as a cross-platform benchmark for multi-qubit quantum simulators. △ Less

Submitted 31 July, 2018; v1 submitted 27 March, 2018; originally announced March 2018.

Comments: 22 pages, 14 figures, close to published version (freely available at PRX)

Journal ref: Phys. Rev. X 8, 031022 (2018)

Measurement Contextuality and Planck's Constant

Authors: Lucas Kocia, Peter Love

Abstract: Contextuality is a necessary resource for universal quantum computation and non-contextual quantum mechanics can be simulated efficiently by classical computers in many cases. Orders of Planck's constant, $\hbar$, can also be used to characterize the classical-quantum divide by expanding quantities of interest in powers of $\hbar$---all orders higher than $\hbar^0$ can be interpreted as quantum co… ▽ More Contextuality is a necessary resource for universal quantum computation and non-contextual quantum mechanics can be simulated efficiently by classical computers in many cases. Orders of Planck's constant, $\hbar$, can also be used to characterize the classical-quantum divide by expanding quantities of interest in powers of $\hbar$---all orders higher than $\hbar^0$ can be interpreted as quantum corrections to the order $\hbar^0$ term. We show that contextual measurements in finite-dimensional systems have formulations within the Wigner-Weyl-Moyal (WWM) formalism that require higher than order $\hbar^0$ terms to be included in order to violate the classical bounds on their expectation values. As a result, we show that contextuality as a resource is equivalent to orders of $\hbar$ as a resource within the WWM formalism. This explains why qubits can only exhibit state-independent contextuality under Pauli observables as in the Peres-Mermin square while odd-dimensional qudits can also exhibit state-dependent contextuality. In particular, we find that qubit Pauli observables lack an order $\hbar^0$ contribution in their Weyl symbol and so exhibit contextuality regardless of the state being measured. On the other hand, odd-dimensional qudit observables generally possess non-zero order $\hbar^0$ terms, and higher, in their WWM formulation, and so exhibit contextuality depending on the state measured: odd-dimensional qudit states that exhibit measurement contextuality have an order $\hbar^1$ contribution that allows for the violation of classical bounds while states that do not exhibit measurement contextuality have insufficiently large order $\hbar^1$ contributions. △ Less

Submitted 21 November, 2017; originally announced November 2017.

Discrete Wigner Formalism for Qubits and Non-Contextuality of Clifford Gates on Qubit Stabilizer States

Authors: Lucas Kocia, Peter Love

Abstract: We show that qubit stabilizer states can be represented by non-negative quasi-probability distributions associated with a Wigner-Weyl-Moyal formalism where Clifford gates are positive state-independent maps. This is accomplished by generalizing the Wigner-Weyl-Moyal formalism to three generators instead of two---producing an exterior, or Grassmann, algebra---which results in Clifford group gates f… ▽ More We show that qubit stabilizer states can be represented by non-negative quasi-probability distributions associated with a Wigner-Weyl-Moyal formalism where Clifford gates are positive state-independent maps. This is accomplished by generalizing the Wigner-Weyl-Moyal formalism to three generators instead of two---producing an exterior, or Grassmann, algebra---which results in Clifford group gates for qubits that act as a permutation on the finite Weyl phase space points naturally associated with stabilizer states. As a result, a non-negative probability distribution can be associated with each stabilizer state's three-generator Wigner function, and these distributions evolve deterministically to one another under Clifford gates. This corresponds to a hidden variable theory that is non-contextual and local for qubit Clifford gates while Clifford (Pauli) measurements have a context-dependent representation. Equivalently, we show that qubit Clifford gates can be expressed as propagators within the three-generator Wigner-Weyl-Moyal formalism whose semiclassical expansion is truncated at order $\hbar^0$ with a finite number of terms. The $T$-gate, which extends the Clifford gate set to one capable of universal quantum computation, require a semiclassical expansion of the propagator to order $\hbar^1$. We compare this approach to previous quasi-probability descriptions of qubits that relied on the two-generator Wigner-Weyl-Moyal formalism and find that the two-generator Weyl symbols of stabilizer states result in a description of evolution under Clifford gates that is state-dependent, in contrast to the three-generator formalism. We have thus extended Wigner non-negative quasi-probability distributions from the odd $d$-dimensional case to $d=2$ qubits, which describe the non-contextuality of Clifford gates and contextuality of Pauli measurements on qubit stabilizer states. △ Less

Submitted 7 June, 2017; v1 submitted 24 May, 2017; originally announced May 2017.

Journal ref: Phys. Rev. A 96, 062134 (2017)

Discrete Wigner Function Derivation of the Aaronson-Gottesman Tableau Algorithm

Authors: Lucas Kocia, Yifei Huang, Peter Love

Abstract: The Gottesman-Knill theorem established that stabilizer states and operations can be efficiently simulated classically. For qudits with dimension three and greater, stabilizer states and Clifford operations have been found to correspond to positive discrete Wigner functions and dynamics. We present a discrete Wigner function-based simulation algorithm for odd-$d$ qudits that has the same time and… ▽ More The Gottesman-Knill theorem established that stabilizer states and operations can be efficiently simulated classically. For qudits with dimension three and greater, stabilizer states and Clifford operations have been found to correspond to positive discrete Wigner functions and dynamics. We present a discrete Wigner function-based simulation algorithm for odd-$d$ qudits that has the same time and space complexity as the Aaronson-Gottesman algorithm. We show that the efficiency of both algorithms is due to the harmonic evolution in the symplectic structure of discrete phase space. The differences between the Wigner function algorithm and Aaronson-Gottesman are likely due only to the fact that the Weyl-Heisenberg group is not in $SU(d)$ for $d=2$ and that qubits have state-independent contextuality. This may provide a guide for extending the discrete Wigner function approach to qubits. △ Less

Submitted 14 March, 2017; originally announced March 2017.

Journal ref: Entropy 2017, 19(7), 353