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Assessing and Advancing the Potential of Quantum Computing: A NASA Case Study

Quantum computing is one of the most enticing computational paradigms with the potential to revolutionize diverse areas of future-generation computational systems. While quantum computing hardware has advanced rapidly, from tiny laboratory experiments to quantum chips that can outperform even the largest supercomputers on specialized computational tasks, these noisy- intermediate scale quantum (NISQ) processors are still too small and non-robust to be directly useful for any real-world applications. In this paper, we describe NASA’s work in assessing and advancing the potential of quantum computing. We discuss advances in algorithms, both near- and longer-term, and the results of our explorations on current hardware as well as with simulations, including illustrating the benefits of algorithm-hardware codesign in the NISQ era. This work also includes physics-inspired classical algorithms that can be used at application scale today. We discuss innovative tools supporting the assessment and advancement of quantum computing, and describe improved methods for simulating quantum systems of various types on high performance computing systems that incorporate realistic error models. We provide an overview of recent methods for benchmarking, evaluating, and characterizing quantum hardware for error mitigation, computational purposes.

quantum computing

A NASA Perspective on Quantum AI, Error Correction, and Beyond

Quantum computing is one of the most enticing computational paradigms with the potential to revolutionize diverse areas of future-generation computational systems. While quantum computing hardware has advanced rapidly, from tiny laboratory experiments to quantum chips that can outperform even the largest supercomputers on specialized computational tasks, these noisy-intermediate scale quantum (NISQ) processors are still too small and non-robust to be directly useful for any real-world applications. We discuss the prospects for quantum computing and AI, highlighting advances in algorithms, both near- and longer-term. Quantum error correction is critical to the realization of any such vision. The talk with touch on some recent exciting advanced in quantum error correction, particularly in dynamical codes. The talk will conclude with an example of how the combination of quantum computing and artificial intelligence can help probe fundamental aspect of quantum physics.

quantum optimization algorithms and sampling

Spin Glass Patch Planting

In this paper, we propose a patch planting method for creating arbitrarily large spin glass instances with known ground states. The scaling of the computational complexity of these instances with various block numbers and sizes is investigated and compared with random instances using population annealing Monte Carlo and the quantum annealing DW2X machine. The method can be useful for benchmarking tests for future generation quantum annealing machines, classical and quantum mechanical optimization algorithms.

Quantum Annealing

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning

The ability to perform ab initio molecular dynamics simulations using potential energy surfaces provided by quantum computers would open the door to virtually exact dynamics for a variety of chemical and biochemical systems, with impacts on catalysis and biophysics. Nonetheless, performing molecular dynamics on surfaces produced by quantum hardware has been hampered by the noisy energies typically produced by quantum computers and challenges associated with computing gradients and scaling to large systems interest. A recent set of advances in machine learning, known as transfer learning, provides a new path forward for molecular dynamics simulations on quantum hardware. Transfer learning offers a workaround, where one first trains models on larger, less accurate classical datasets and then refines them on smaller, more accurate quantum datasets. We explore this approach by training machine learning models to predict a molecule's potential energy based on its geometric structure using Behler-Parrinello neural networks. When successfully trained, the model enables energy gradient predictions necessary for dynamic simulations. To reduce the quantum resources needed, the model is initially trained with data derived from classical density functional theory and subsequently refined with a smaller dataset obtained from a variational quantum eigensolver optimization of the unitary coupled cluster ansatz. We show that this approach significantly reduces the size of the needed quantum training dataset while capturing the high accuracies needed within quantum chemistry simulations. The success of this two-step training method opens more opportunities to apply machine learning models on quantum data, a significant stride towards efficient quantum-classical hybrid computational models.

quantum computing

Adaptation to high CO2 concentration in an optimal environment: radiation capture, canopy quantum yield and carbon use efficiency

The effect of elevated [CO2] on wheat (Triticum aestivum L. Veery 10) productivity was examined by analysing radiation capture, canopy quantum yield, canopy carbon use efficiency, harvest index and daily C gain. Canopies were grown at either 330 or 1200 micromoles mol-1 [CO2] in controlled environments, where root and shoot C fluxes were monitored continuously from emergence to harvest. A rapidly circulating hydroponic solution supplied nutrients, water and root zone oxygen. At harvest, dry mass predicted from gas exchange data was 102.8 +/- 4.7% of the observed dry mass in six trials. Neither radiation capture efficiency nor carbon use efficiency were affected by elevated [CO2], but yield increased by 13% due to a sustained increase in canopy quantum yield. CO2 enrichment increased root mass, tiller number and seed mass. Harvest index and chlorophyll concentration were unchanged, but CO2 enrichment increased average life cycle net photosynthesis (13%, P < 0.05) and root respiration (24%, P < 0.05). These data indicate that plant communities adapt to CO2 enrichment through changes in C allocation. Elevated [CO2] increases sink strength in optimal environments, resulting in sustained increases in photosynthetic capacity, canopy quantum yield and daily C gain throughout the life cycle.

Non-NASA Center

On Benchmarking Quantum Heuristics

Present an outline of important aspects for benchmarking quantum algorithms, in particular quantum heuristics. Using quantum approximate optimization algorithm as an example, we demonstrate how the choice of cost Hamiltonian, of mixer, and of initial states can affect the performance. We also discuss how realistic aspects of near-term quantum hardware will influence the algorithm performance.

Wang, Zhihui

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing

Dynamical Decoupling of Crosstalk on Superconducting Qubit Devices

Current NISQ devices are prone to errors. In order to be used for practical applications or achieve fault-tolerant thresholds, strategies to suppress error rates will be needed to maximize the potential of noisy devices. Dynamical decoupling (DD) is one such strategy for suppressing — or at least alleviating — the effects of decoherence, in which sequences of pulses are applied to qubits to decouple their interaction with the environment. Through experimental runs performed on several Rigetti quantum computing units (QPUs), we first demonstrate that DD is capable of improving coherence times for isolated qubits, as well as suppressing errors caused by the ZZ coupling between pairs of qubits. Extending this framework to cycles containing2-qubit gates, we show that DD can be inserted to decouple qubits from crosstalk occurring during neighboring 2-qubit gates, and demonstrate the efficacy of this procedure on quantum approximate optimization algorithm (QAOA) circuits. We also explore the usage of tailored DD sequences for the suppression of characterized error channels. We are grateful for support from the NASA Ames Research Center and from the DARPA ONISQ program under interagency agreement IAA 8839,Annex 114. HYH is supported by the USRA Feynman QuantumAcademy funded by the NAMS R&D Student Program and a UCHellman Fellowship. JS, ZGI and ZW are supported by USRA NASAAcademic Mission Service (NNA16BD14C).

Dynamical decoupling

Exploiting Quantum Resonance to Solve Combinatorial Problems

Quantum resonance would be exploited in a proposed quantum-computing approach to the solution of combinatorial optimization problems. In quantum computing in general, one takes advantage of the fact that an algorithm cannot be decoupled from the physical effects available to implement it. Prior approaches to quantum computing have involved exploitation of only a subset of known quantum physical effects, notably including parallelism and entanglement, but not including resonance. In the proposed approach, one would utilize the combinatorial properties of tensor-product decomposability of unitary evolution of many-particle quantum systems for physically simulating solutions to NP-complete problems (a class of problems that are intractable with respect to classical methods of computation). In this approach, reinforcement and selection of a desired solution would be executed by means of quantum resonance. Classes of NP-complete problems that are important in practice and could be solved by the proposed approach include planning, scheduling, search, and optimal design.

Zak, Michail

Quantum Gate-Model Approaches to Exact and Approximate Optimization

Many of the most challenging computational problems arising in practical applications are tackled by heuristic algorithms which have not been rigorously proven to outperform other approaches but rather have been empirically demonstrated to be effective. While quantum heuristics have been proposed since the early days of quantum computing, true empirical evaluation of the real-world performance of these algorithms is only becoming possible now as increasingly powerful quantum gate-model devices continue to come online.In this talk, I will give an overview of the NASA QuAIL team's ongoing investigation into quantum gate-model heuristic algorithms for exact and approximate optimization. In particular, we consider the performance of the Quantum Approximate Optimization Algorithm on NP-hard optimization problems, and describe algorithm parameter setting strategies for real-world quantum hardware. We then show a generalization of QAOA circuits, the Quantum Alternating Operator Ansatz, especially suitable for low-resource implementations of QAOA for problems with hard (feasibility) constraints. The talk will conclude with a discussion of research challenges, particularly for optimization and sampling applications of QAOA, and the potential of more general quantum heuristics to give advantages over classical computers.

Hadfield, Stuart

Communication theory of quantum systems

Communication theory problems incorporating quantum effects for optical-frequency applications are discussed. Under suitable conditions, a unique quantum channel model corresponding to a given classical space-time varying linear random channel is established. A procedure is described by which a proper density-operator representation applicable to any receiver configuration can be constructed directly from the channel output field. Some examples illustrating the application of our methods to the development of optical quantum channel representations are given. Optimizations of communication system performance under different criteria are considered. In particular, certain necessary and sufficient conditions on the optimal detector in M-ary quantum signal detection are derived. Some examples are presented. Parameter estimation and channel capacity are discussed briefly.

Yuen, H. P. H.

Symmetry and Error Mitigation in Quantum Alternating Operator Ansatz

Quantum Alternating Operator Ansatz (QAOA) provides a platform for probing quantum advantage in optimization problems on NISQ hardware. By exploring symmetries in the system and the structure of unitaries in the algorithm, we proposed using problem-specific mixing operators to limit the quantum evolution within a subspace where the target state lives. As an example, in case of equality constraint, we studied the use of XY operators that preserve total Pauli Z. This QAOA variant, in the noiseless case, significantly outperforms the vanilla version of QAOA where the constraints are encoded as penalty in the cost Hamiltonian and the search is in the whole Hilbert space. In presence of noise, although the advantage still holds, error mitigation is needed for QAOA. I will overview our work on the design of QAOA in presence of symmetry, the implementation and compilation of XY-QAOA, its performance and error mitigation techniques in presence of noise.

Zhihui Wang

Hidden Statistics Approach to Quantum Simulations

Recent advances in quantum information theory have inspired an explosion of interest in new quantum algorithms for solving hard computational (quantum and non-quantum) problems. The basic principle of quantum computation is that the quantum properties can be used to represent structure data, and that quantum mechanisms can be devised and built to perform operations with this data. Three basic non-classical properties of quantum mechanics superposition, entanglement, and direct-product decomposability were main reasons for optimism about capabilities of quantum computers that promised simultaneous processing of large massifs of highly correlated data. Unfortunately, these advantages of quantum mechanics came with a high price. One major problem is keeping the components of the computer in a coherent state, as the slightest interaction with the external world would cause the system to decohere. That is why the hardware implementation of a quantum computer is still unsolved. The basic idea of this work is to create a new kind of dynamical system that would preserve the main three properties of quantum physics superposition, entanglement, and direct-product decomposability while allowing one to measure its state variables using classical methods. In other words, such a system would reinforce the advantages and minimize limitations of both quantum and classical aspects. Based upon a concept of hidden statistics, a new kind of dynamical system for simulation of Schroedinger equation is proposed. The system represents a modified Madelung version of Schroedinger equation. It preserves superposition, entanglement, and direct-product decomposability while allowing one to measure its state variables using classical methods. Such an optimal combination of characteristics is a perfect match for simulating quantum systems. The model includes a transitional component of quantum potential (that has been overlooked in previous treatment of the Madelung equation). The role of the transitional potential is to provide a jump from a deterministic state to a random state with prescribed probability density. This jump is triggered by blowup instability due to violation of Lipschitz condition generated by the quantum potential. As a result, the dynamics attains quantum properties on a classical scale. The model can be implemented physically as an analog VLSI-based (very-large-scale integration-based) computer, or numerically on a digital computer. This work opens a way of developing fundamentally new algorithms for quantum simulations of exponentially complex problems that expand NASA capabilities in conducting space activities. It has been illustrated that the complexity of simulations of particle interaction can be reduced from an exponential one to a polynomial one.

Zak, Michail

High-Power Single-Mode 2.65-micron InGaAsSb/AlInGaAsSb Diode Lasers

Central to the advancement of both satellite and in-situ science are improvements in continuous-wave and pulsed infrared laser systems coupled with integrated miniaturized optics and electronics, allowing for the use of powerful, single-mode light sources aboard both satellite and unmanned aerial vehicle platforms. There is a technological gap in supplying adequate laser sources to address the mid-infrared spectral window for spectroscopic characterization of important atmospheric gases. For high-power applications between 2 to 3 micron, commercial laser technologies are unsuitable because of limitations in output power. For instance, existing InP-based laser systems developed for fiber-based telecommunications cannot be extended to wavelengths longer than 2 micron. For emission wavelengths shorter than 3 micron, intersubband devices, such as infrared quantum cascade lasers, become inefficient due to band-offset limitations. To date, successfully demonstrated singlemode GaSb-based laser diodes emitting between 2 and 3 micron have employed lossy metal Bragg gratings for distributed- feedback coupling, which limits output power due to optical absorption. By optimizing both the quantum well design and the grating fabrication process, index-coupled distributed-feedback 2.65-micron lasers capable of emitting in excess of 25 mW at room temperature have been demonstrated. Specifically, lasers at 3,777/cm (2.65 micron) have been realized to interact with strong absorption lines of HDO and other isotopologues of H2O. With minor modifications of the optical cavity and quantum well designs, lasers can be fabricated at any wavelength within the 2-to-3-micron spectral window with similar performance. At the time of this reporting, lasers with this output power and wavelength accuracy are not commercially available. Monolithic ridge-waveguide GaSb lasers were fabricated that utilize secondorder lateral Bragg gratings to generate single-mode emission from InGaAsSb/ AlInGaAsSb multi-quantum well structures. The device fabrication utilizes etched index-coupled gratings in the top AlGaAsSb cladding of the laser chip along the ridge waveguide, whereas commercial lasers that emit close to this wavelength include loss-coupled metal gratings that limit the output power of the laser. Semiconductor-laser-based spectrometers can be used to replace gas sensors currently used in industry and government. With the availability of high-power laser sources at mid-infrared wavelengths, sensors can target strong fundamental gas absorption lines to maximize instrument sensitivity.

Frez, Clifford F.

Complexity of the Quantum Adiabatic Algorithm

The Quantum Adiabatic Algorithm (QAA) has been proposed as a mechanism for efficiently solving optimization problems on a quantum computer. Since adiabatic computation is analog in nature and does not require the design and use of quantum gates, it can be thought of as a simpler and perhaps more profound method for performing quantum computations that might also be easier to implement experimentally. While these features have generated substantial research in QAA, to date there is still a lack of solid evidence that the algorithm can outperform classical optimization algorithms.

Hen, Itay

Optimum testing of multiple hypotheses in quantum detection theory

The problem of specifying the optimum quantum detector in multiple hypotheses testing is considered for application to optical communications. The quantum digital detection problem is formulated as a linear programming problem on an infinite-dimensional space. A necessary and sufficient condition is derived by the application of a general duality theorem specifying the optimum detector in terms of a set of linear operator equations and inequalities. Existence of the optimum quantum detector is also established. The optimality of commuting detection operators is discussed in some examples. The structure and performance of the optimal receiver are derived for the quantum detection of narrow-band coherent orthogonal and simplex signals. It is shown that modal photon counting is asymptotically optimum in the limit of a large signaling alphabet and that the capacity goes to infinity in the absence of a bandwidth limitation.

Yuen, H. P.

Metal Coat Increases Output Sensitivity

Charge-coupled photodetector optimized for maximum quantum efficiency (QE), high charge-collection efficiency, and ultralow read noise. Called "flash-coupled" photodetector, sensor delivers high quantum-efficiency sensitivity in spectral range extending from soft x ray to near infrared.

Janesick, James R.