Search NASA⌕ Search

SEARCH · Search NASA

Results for “quantum optimization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,189 records · Page 66

HEP ML/Optimization Go Quantum – QuantISED Pilot

This poster includes sections on: Quantum annealers for classification, Quantum gate models for classification, Software and Workflows, and Quanutm optimization for LHC physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of barren plateaus on gradient-free optimization

Barren plateau landscapes correspond to gradients that vanish exponentially in the number of qubits. Such landscapes have been demonstrated for variational quantum algorithms and quantum neural networks with either deep circuits or global cost functions. For obvious reasons, it is expected that gradient-based optimizers will be significantly affected by barren plateaus. However, whether or not gradient-free optimizers are impacted is a topic of debate, with some arguing that gradient-free approaches are unaffected by barren plateaus. Here we show that, indeed, gradient-free optimizers do not solve the barren plateau problem. Our main result proves that cost function differences, which are the basis for making decisions in a gradient-free optimization, are exponentially suppressed in a barren plateau. Hence, without exponential precision, gradient-free optimizers will not make progress in the optimization. We numerically confirm this by training in a barren plateau with several gradient-free optimizers (Nelder-Mead, Powell, and COBYLA algorithms), and show that the numbers of shots required in the optimization grows exponentially with the number of qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exponential acceleration of macroscopic quantum tunneling in a Floquet Ising model

The exponential suppression of macroscopic quantum tunneling (MQT) in the number of elements to be reconfigured is an essential element of broken symmetry phases. This suppression is also a core bottleneck in quantum algorithms, such as traversing an energy landscape in optimization, and adiabatic state preparation more generally. In this work, we demonstrate exponential acceleration of MQT through Floquet engineering with the application of a uniform, high frequency transverse drive field. Using the ferromagnetic phase of the transverse field Ising model in one and two dimensions as a prototypical example, we identify three phenomenological regimes as a function of drive strength. For weak drives, the system exhibits exponentially decaying tunneling rates but robust magnetic order; in the crossover regime at intermediate drive strength, we find polynomial decay of tunnelling alongside vanishing magnetic order; and at very strong drive strengths both the Rabi frequency and time-averaged magnetic order are approximately constant with increasing system size. We support these claims with extensive full wavefunction and tensor network numerical simulations, and theoretical analysis. An experimental test of these results presents a technologically important and novel scientific question accessible on NISQ-era quantum computers.

Grattan, George↗

Quantum logic gates from time-dependent global magnetic field in a system with constant exchange

We propose a method that implements a universal set of one- and two-quantum-bit gates for quantum computation in a system of coupled electron pairs with constant non-diagonal exchange interaction. In our proposal, suppression of the exchange interaction is performed by the continual repetition of single-spin rotations. A small g-factor difference between the electrons allows for addressing qubits and avoiding strong magnetic field pulses. Numerical experiments were performed to show that, to implement the one- and two-qubit operations, it is sufficient to change the strength of the magnetic field by a few Gauss. This introduces one and then the other electron in a resonance. To determine the evolution of the two-qubit system, we use the algorithms of optimal control theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Recent developments and applications of Quantum Well Infrared Photodetector focal plane arrays

In this paper we discuss the optimization of the detector design, material growth and processing that has culminated in realization of 15 micron cutoff 128x128 QWIP focal plane array camera, hand-held and palmsize 256x256 long wavelength QWIP cameras and 648x480 long-wavelength camera, holding forth great promise for myriad applications in 6-25 micron wavelength range in science, medicine, defense and industry.

multi-quantum-wells↗

Quantum Logic Enhanced Sensing in Solid-State Spin Ensembles

We demonstrate quantum logic enhanced sensitivity for a macroscopic ensemble of solid-state, hybrid two-qubit sensors. We achieve over a factor of 30 improvement in the single-shot signal-to-noise ratio, translating to an ac magnetic field sensitivity enhancement exceeding an order of magnitude for time-averaged measurements. Using the electronic spins of nitrogen vacancy (NV) centers in diamond as sensors, we leverage the on-site nitrogen nuclear spins of the NV centers as memory qubits, in combination with homogeneous and stable bias and control fields, ensuring that all of the ~10 9 two-qubit sensors are sufficiently identical to permit global control of the NV ensemble spin states. We find quantum logic sensitivity enhancement for multiple measurement protocols with varying optimal sensing intervals, including XY8 and DROID-60 dynamical decoupling, as well as correlation spectroscopy, using an applied ac magnetic field signal. The results are independent of the nature of the target signal and broadly applicable to measurements using NV centers and other solid-state spin ensembles. Furthermore, this work provides a benchmark for macroscopic ensembles of quantum sensors that employ quantum logic or quantum error correction algorithms for enhanced sensitivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nanoheterostructures optimization and characteristics improvement for devices based on them

The AlInGaN and AlGaInP nanoheterostructures design has been optimized by computer simulation in order to use them in optoelectronics. The possibility of improving the performance characteristics of LEDs by 20% is analyzed. The results are presented in the form of current–voltage (I–V) characteristics, dependence of the internal quantum efficiency on the quantum wells quantity, and spectral characteristics. The influence of the In atoms nonuniform distribution in the quantum-well region is determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Pattern Recognition Algorithm for Quantum Annealers

Abstract The reconstruction of charged particles will be a key computing challenge for the high-luminosity Large Hadron Collider (HL-LHC) where increased data rates lead to a large increase in running time for current pattern recognition algorithms. An alternative approach explored here expresses pattern recognition as a quadratic unconstrained binary optimization (QUBO), which allows algorithms to be run on classical and quantum annealers. While the overall timing of the proposed approach and its scaling has still to be measured and studied, we demonstrate that, in terms of efficiency and purity, the same physics performance of the LHC tracking algorithms can be achieved. More research will be needed to achieve comparable performance in HL-LHC conditions, as increasing track density decreases the purity of the QUBO track segment classifier.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Predicting Open Quantum Dynamics with Data-Informed Quantum-Classical Dynamics

We introduce a data-informed quantum-classical dynamics (DIQCD) approach for predicting the evolution of an open quantum system. The equation of motion in DIQCD is a Lindblad equation with a flexible, time-dependent Hamiltonian that can be optimized to fit sparse and noisy data from local observations of an extensive open quantum system. We demonstrate the accuracy and efficiency of DIQCD for both experimental and simulated quantum devices. We show that DIQCD can predict entanglement dynamics of ultracold molecules (calcium fluoride) in optical tweezer arrays. DIQCD also successfully predicts carrier mobility in organic semiconductors (rubrene) with accuracy comparable to nearly exact numerical methods.

Lindblad equation↗

Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits

Time-dependent electromagnetic drives are fundamental for controlling complex quantum systems, including superconducting Josephson circuits. In these devices, accurate time-dependent Hamiltonian models are imperative for predicting their dynamics and designing high-fidelity quantum operations. Existing numerical methods, such as black-box quantization (BBQ) and energy-participation ratio (EPR), excel at modeling the static Hamiltonians of Josephson circuits. However, these techniques do not fully capture the behavior of driven circuits stimulated by external microwave drives, nor do they include a generalized approach to account for the inevitable noise and dissipation that enter through microwave ports. Here, we introduce numerical techniques that leverage classical microwave simulations, efficiently executable in finite-element solvers, to obtain the time-dependent Hamiltonian of microwave-driven superconducting circuits with arbitrary geometries under charge, flux, or mixed electromagnetic modulation. Importantly, our techniques do not rely on a lumped-element description of the superconducting circuit, in contrast to previous approaches to tackling this problem. We demonstrate the versatility of our approach by characterizing the driven properties of realistic circuit devices in complex electromagnetic environments, including coherent dynamics due to charge and flux modulation, as well as drive-induced relaxation and dephasing. Our techniques offer a powerful toolbox for optimizing circuit designs and advancing practical applications in superconducting quantum computing.

Lu, Yao [Yale U.; Yale U. (main); Fermilab] (ORCID↗

Fast cooling for a system of stochastic oscillators

We study feedback control of coupled nonlinear stochastic oscillators in a force field. We first consider the problem of asymptotically driving the system to a desired steady state corresponding to reduced thermal noise. Among the feedback controls achieving the desired asymptotic transfer, we find that the most efficient one from an energy point of view is characterized by time-reversibility. We also extend the theory of Schrödinger bridges to this model, thereby steering the system in finite time and with minimum effort to a target steady-state distribution. The system can then be maintained in this state through the optimal steady-state feedback control. The solution, in the finite-horizon case, involves a space-time harmonic function φ, and −logφ plays the role of an artificial, time-varying potential in which the desired evolution occurs. This framework appears extremely general and flexible and can be viewed as a considerable generalization of existing active control strategies such as macromolecular cooling. In the case of a quadratic potential, the results assume a form particularly attractive from the algorithmic viewpoint as the optimal control can be computed via deterministic matricial differential equations. An example involving inertial particles illustrates both transient and steady state optimal feedback control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Existence of a robust optimal control process for efficient measurements in a two-qubit system

The verification of quantum entanglement is essential for quality control in quantum communication. In this work we propose an efficient protocol to directly verify the two-qubit entanglement of a known target state through a single-expectation-value measurement. Our method provides exact entanglement quantification using the concurrence measure without performing quantum state tomography. We prove the existence of a unitary transformation that drives a known initial state of a two-qubit system to a designated final state, where the trace over a chosen observable directly yields the concurrence of the initial state. Furthermore, we implement an optimal control process of that transformation and demonstrate its effectiveness through numerical simulations. We also show that this process is robust to environmental noise. Our approach offers advantages in directly verifying entanglement with low circuit depth, making it suitable for industrial-scale quality control of entanglement generation. Our results presented here provide mathematical justification for our earlier computational experiments.

Rodriguez, Ricardo [McPherson Coll.] (ORCID:000000↗

Momentum of light scattered from collections of particles

The angular dependence of the momentum flow of a polychromatic plane wave scattered from deterministic and random collections of particles is determined, within the occuracy of the first-order Born approximation, as a function of individual and collective properties of particles. The results are of importance for optimization of optical tweezers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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

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 Å in the presence of experimental 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 detuning parameter, and inserting two-qubit gate identity operations into the ansatz circuit. We find that time stretching and sideband detuning scaling fail to scale the noise on our particular hardware in a way that can be extrapolated to zero noise. Scaling our noise with global gate identity insertions and extrapolating after variational optimization, we achieve error suppression of 96.8%, resulting in an energy estimate within –0.004 ± 0.04 hartree of the ground state energy. This is an improvement, but still outside the chemical accuracy threshold of 0.0016 hartree. Furthermore, our results show that the efficacy of this error mitigation technique depends on choosing the correct implementation for a given device architecture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Robust implementation of generative modeling with parametrized quantum circuits

Although the performance of hybrid quantum-classical algorithms is highly dependent on the selection of the classical optimizer and the circuit ansätze, a robust and thorough assessment on-hardware of such features has been missing to date. From the optimizer perspective, the primary challenge lies in the solver’s stochastic nature, and their significant variance over the random initialization. Therefore, a robust comparison requires one to perform several training curves for each solver before one can reach conclusions about their typical performance. Since each of the training curves requires the execution of thousands of quantum circuits in the quantum computer, such a robust study remained a steep challenge for most hybrid platforms available today. In this work, we leverage on Rigetti’s Quantum Cloud Services (QCS™) to overcome this implementation barrier, and we study the on-hardware performance of the data-driven quantum circuit learning (DDQCL) for three different state-of-the-art classical solvers, and on two-different circuit ansätze associated to different entangling connectivity graphs for the same task. Additionally, we assess the gains in performance from varying circuit depths. To evaluate the typical performance associated with each of these settings in this benchmark study, we use at least five independent runs of DDQCL towards the generation of quantum generative models capable of capturing the patterns of the canonical Bars and Stripes dataset. In this experimental benchmarking, the gradient-free optimization algorithms show an outstanding performance compared to the gradient-based solver. In particular, one of them had better performance when handling the unavoidable noisy objective function to be minimized under experimental conditions.

97 MATHEMATICS AND COMPUTING↗

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

Quantum mechanical calculations of core electron binding energies (CEBEs) are relevant to interpreting X-ray photoelectron spectroscopy (XPS). Orbital-optimized density functional theory (OO-DFT) accurately predicts K-edge CEBEs but is challenged by the presence of significant spin–orbit coupling (SOC) at L- and higher edges involving inner-shell orbitals with nonzero angular momentum. Here, to extend OO-DFT to L-edges and higher, our method utilizes scalar-relativistic, spin-restricted open-shell OO-DFT to construct a minimal, quasi-degenerate basis of core-hole states corresponding to a chosen inner-shell (e.g., ionizing all six possible 2p spin orbitals). Nonorthogonal configuration interaction (NOCI) is then used to obtain the matrix elements of the full Hamiltonian including SOC in this quasi-degenerate model space of determinants. Using a screened 1-electron SOC operator parametrized with the Dirac-Coulomb-Breit (DCB) Hamiltonian results in doublet splitting (DS) values for third row elements that are nearly in quantitative agreement with experiment. The resulting NOCI eigenvalues are shifted by the average of the (scalar) OO-DFT CEBEs to yield CEBEs (split by SOC) corrected for dynamic correlation. Comparing calculations on gas phase molecules with experimental results establishes that NO-QDPT with the SCAN functional (NO-QDPT/SCAN), using the DCB screened 1-electron SOC operator is accurate to about 0.2 eV for L-edge CEBEs of molecules containing third row atoms. However, this NO-QDPT approach becomes less accurate for fourth-row elements starting in the middle of the 3d transition metal series, with errors increasing as atomic number increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum Emitter Formation Dynamics and Probing of Radiation-Induced Atomic Disorder in Silicon

Near-infrared color centers in silicon are emerging candidates for on-chip integrated quantum emitters, optical-access quantum memories, and sensing. We access ensemble G-color-center formation dynamics and radiation-induced atomic disorder in silicon for a series of megaelectronvolt proton-flux conditions. The photoluminescence results reveal that the G centers are formed more efficiently by pulsed-proton irradiation than by continuous-wave proton irradiation. The enhanced transient excitations and dynamic annealing within nanoseconds allows optimization of the ratio of G-center formation to nonradiative defect accumulation. The G centers preserve narrow line widths of about 0.1 nm when they are generated by moderate pulsed-proton fluences, while the line width broadens significantly as the pulsed-proton fluence increases. This implies vacancy or interstitial clustering by overlapping collision cascades. The tracking of G-center properties for a series of irradiation conditions enables sensitive probing of atomic disorder, serving as a complementary analytical method for sensing damage accumulation. Aided by ab initio electronic structure calculations, we provide insight into the atomic disorder induced inhomogeneous broadening by introducing vacancies, silicon interstitials, and oriented strain fields in the vicinity of a G center. A vacancy leads to a tensile strain and can result in either a red shift or a blue shift of the G-center emission, depending on its position relative to the G center. Meanwhile, Si interstitials lead to compressive strain, which results in a monotonic red shift. In conclusion, high-flux and tunable ion pulses enable the exploration of the fundamental dynamics of radiation-induced defects as well as methods for the optimization of G-center formation and qubit synthesis for quantum information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nonlinear solution of classical three-wave interaction via finite-dimensional quantum model

The quantum three-wave interaction, the lowest-order nonlinear interaction in plasma physics, describes energy–momentum transfer between three resonant waves in the quantum regime. We describe how it may also act as a finite-degree-of-freedom approximation to the classical three-wave interaction in certain circumstances. By promoting the field variables to operators, we quantize the classical system, show that the quantum system has more free parameters than the classical system and explain how these parameters may be selected to optimize either initial or long-term correspondence. We then numerically compare the long-time quantum–classical correspondence far from the fixed point dynamics. We discuss the Poincaré recurrence of the system and the mitigation of quantum scrambling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗