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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.

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403 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Quantum simulations in effective model spaces: Hamiltonian-learning variational quantum eigensolver using digital quantum computers and application to the Lipkin-Meshkov-Glick model

Quantum simulations offer the potential to predict the structure and dynamics of nuclear many-body systems that are beyond the capabilities of classical computing. Generally, preparing the ground state of strongly-interacting many-body systems relevant to nuclear physics is however inefficient, even using ideal quantum computers. In addition, currently available NISQ-era quantum devices possess modest numbers of qubits, limiting the size of quantum many-body systems that can be simulated. In this context, a reformulation of the quantum many-body problems using truncated model spaces and Hamiltonians is desirable to make them more amenable to near-term quantum computers. The importance of symmetries in low-energy theories, including effective field theories (EFTs), lattice quantum chromodynamics (QCD), and effective model spaces for nuclear systems, in particular their interplay with the reduction of active Hilbert spaces, is well known. Lesser known is the fact that the non-commutivity of some symmetries and truncations of the model space can be profitably combined with variational calculations to rearrange the entanglement into localized structures and enable more efficient simulations. Here, the goal of the present study is to explore and utilize the non-commutivity of symmetries and model-space truncations of quantum many-body systems important to nuclear physics, particularly in combination with variational algorithms for quantum simulations and effective Hamiltonian learning. We introduce an iterative hybrid classical-quantum algorithm, Hamiltonian learning variational quantum eigensolver (HL-VQE), that simultaneously optimizes an effective Hamiltonian, thereby rearranging entanglement into the effective model space, and the associated ground-state wavefunction. Quantum simulations, using classical computers and IBM's superconducting-qubit quantum computers, are performed to demonstrate the HL-VQE algorithm, in the context of the Lipkin-Meshkov-Glick (LMG) model of interacting fermions, where the Hamiltonian transformation corresponds to an orbital rotation. We use a mapping where the number of qubits scales with the $\log$ of the size of the effective model space, rather than the particle number. HL-VQE is found to provide an exponential improvement in LMG-model calculations of the ground-state energy and wavefunction, compared to naive truncations without Hamiltonian learning, throughout a significant fraction of the Hilbert space. In the context of EFT, this corresponds to counterterms scaling exponentially with the cut-off as opposed to power law. Implementations on IBM's QExperience quantum computers and simulators for 1- and 2-qubit effective model spaces are shown to provide accurate and precise results, reproducing classical predictions. For a range of parameters defining the LMG model, the HL-VQE algorithm is found to have better scaling of quantum resources requirements than previously explored algorithms. In particular, the HL-VQE scales efficiently over a large fraction of the model space, in contrast to VQE alone. This work constitutes a step in the development of entanglement-driven quantum algorithms for descriptions of nuclear many-body systems. This, in part, leverages the potential of noisy intermediate-scale quantum (NISQ) devices. The exponential scaling of counterterms observed in this study suggests the possibility of more general applicability to other non-perturbative EFTs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Analytic continuation of noisy data using Adams Bashforth residual neural network

We propose a data-driven learning framework for the analytic continuation problem in numerical quantum many-body physics. Designing an accurate and efficient framework for the analytic continuation of imaginary time using computational data is a grand challenge that has hindered meaningful links with experimental data. The standard Maximum Entropy (MaxEnt)-based method is limited by the quality of the computational data and the availability of prior information. Also, the MaxEnt is not able to solve the inversion problem under high level of noise in the data. Here we introduce a novel learning model for the analytic continuation problem using a Adams-Bashforth residual neural network (AB-ResNet). Additionally, the advantage of this deep learning network is that it is model independent and, therefore, does not require prior information concerning the quantity of interest given by the spectral function. More importantly, the ResNet-based model achieves higher accuracy than MaxEnt for data with higher level of noise. Finally, numerical examples show that the developed AB-ResNet is able to recover the spectral function with accuracy comparable to MaxEnt where the noise level is relatively small.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Error coding simulations in C

When data is transmitted through a noisy channel, errors are produced within the data rendering it indecipherable. Through the use of error control coding techniques, the bit error rate can be reduced to any desired level without sacrificing the transmission data rate. The Astrionics Laboratory at Marshall Space Flight Center has decided to use a modular, end-to-end telemetry data simulator to simulate the transmission of data from flight to ground and various methods of error control. The simulator includes modules for random data generation, data compression, Consultative Committee for Space Data Systems (CCSDS) transfer frame formation, error correction/detection, error generation and error statistics. The simulator utilizes a concatenated coding scheme which includes CCSDS standard (255,223) Reed-Solomon (RS) code over GF(2(exp 8)) with interleave depth of 5 as the outermost code, (7, 1/2) convolutional code as an inner code and CCSDS recommended (n, n-16) cyclic redundancy check (CRC) code as the innermost code, where n is the number of information bits plus 16 parity bits. The received signal-to-noise for a desired bit error rate is greatly reduced through the use of forward error correction techniques. Even greater coding gain is provided through the use of a concatenated coding scheme. Interleaving/deinterleaving is necessary to randomize burst errors which may appear at the input of the RS decoder. The burst correction capability length is increased in proportion to the interleave depth. The modular nature of the simulator allows for inclusion or exclusion of modules as needed. This paper describes the development and operation of the simulator, the verification of a C-language Reed-Solomon code, and the possibility of using Comdisco SPW(tm) as a tool for determining optimal error control schemes.

Noble, Viveca K.↗
DOE OSTI2015

WE-AB-204-01: Performance Characterization of Regularized-Reconstruction Algorithm for 90Y PET/CT Images

Purpose: {sup 90}Y PET/CT imaging and quantification have recently been suggested as an approach of treatment verification. However, due to low positron yield (32ppm), the {sup 90}Y-PET/CT images are very noisy. Iterative reconstruction techniques that employ regularization, e.g. block sequential regularized expectation maximization (BSREM) algorithm (recently implemented on GE scanners – QClear™), has the potential to increase quantitative accuracy with lower noise penalty compared to OSEM. Our aim is to investigate the performance of RR algorithms in {sup 90}Y PET/CT studies. Methods: A NEMA IEC phantom filled with 3GBq {sup 90}YCl{sub 2} (to simulate patient treatment) was imaged on GE-D690 for 1800s/bed. The sphere-to-background ratio of 7. The data were reconstructed using OSEM and BSREM with PSF modeling and TOF correction while varying the iterations (IT) from 1–6 with fixed 24subsets. For BSREM, the edge-preservation parameter (γ ) was 2 and the penalty-parameters (β) was varied 350–950. In all cases a post-reconstruction filter of 5.2mm (2pixel) transaxial and standard z-axis were used. Sphere average activity concentration (AC) and background standard deviation (SD) were then calculated from VOIs drawn in the spheres and background. Results: Increasing IT from 1to6, the %SD in OSEM increased from 30% to 80%, whereas %SD in BSREM images increased by <5% for all βs. BSREM with β=350 didn’t offer any improvement over OSEM (convergence of mean achieved at 2 IT, in this study). Increasing β from 350 to 950 reduced the AC accuracy of small spheres (<20mm) by 10% and noise from 40% to 20%, which resulted in CNR increase from 11 to 17. Conclusion: In count-limited studies such as {sup 90}Y PET/CT, BSREM can be used to suppress image noise and increase CNR at the expense of a relatively small decrease of quantitative accuracy. The BSREM parameters need to be optimized for each study depending on the radionuclides and count densities. Research reported in this publication was supported by the National Cancer Institute of the National Institutes of Health under Award Number R01CA13898 and was also partly supported by General Electric.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Optimizing lossy state preparation for quantum sensing using Hamiltonian engineering

One of the most prominent platforms for demonstrating quantum sensing below the standard quantum limit is the spinor Bose–Einstein condensate. While a quantum advantage using several tens of thousands of atoms has been demonstrated in this platform, it faces an important challenge: atom loss. Atom loss is a Markovian error process modeled by Lindblad jump operators, and a no-go theorem, which we also show here, states that the loss of atoms in all spin components reduces the quantum advantage to a constant factor. Here, we show that this no-go theorem can be circumvented if we constrain atom losses to a single spin component. Moreover, we show that in this case, the maximum quantum Fisher information with N atoms scales as N 3/2 , establishing that a scalable quantum advantage can be achieved despite atom loss. Although Lindblad jump operators are generally non-Hermitian and non-invertible, we use their Moore–Penrose inverse to develop a framework for constructing several states with this scaling of Fisher information in the presence of losses. We use Hamiltonian engineering with realistic Hamiltonians to develop experimental protocols for preparing these states. Finally, we discuss possible experimental techniques to constrain the losses to a single spin mode.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRSDate not supplied

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↗
DOE OSTI2019

fPINNs: Fractional Physics-Informed Neural Networks

Physics-informed neural networks (PINNs), introduced, are effective in solving integer-order partial differential equations (PDEs) based on scattered and noisy data. PINNs employ standard feedforward neural networks (NNs) with the PDEs explicitly encoded into the NN using automatic differentiation, while the sum of the mean-squared PDE residuals and the mean-squared error in initial-boundary conditions is minimized with respect to the NN parameters. Here we extend PINNs to fractional PINNs (fPINNs) to solve space-time fractional advection-diffusion equations (fractional ADEs), and we study systematically their convergence, hence explaining both fPINNs and PINNs for the first time. Specifically, we demonstrate their accuracy and effectiveness in solving multidimensional forward and inverse problems with forcing terms whose values are only known at randomly scattered spatio-temporal coordinates (black-box (BB) forcing terms). A novel element of the fPINNs is the hybrid approach that we introduce for constructing the residual in the loss function using both automatic differentiation for the integer-order operators and numerical discretization for the fractional operators. This approach bypasses the difficulties stemming from the fact that automatic differentiation is not applicable to fractional operators because the standard chain rule in integer calculus is not valid in fractional calculus. To discretize the fractional operators, we employ the Grünwald--Letnikov (GL) formula in one-dimensional fractional ADEs and the vector GL formula in conjunction with the directional fractional Laplacian in two- and three-dimensional fractional ADEs. We first consider the one-dimensional fractional Poisson equation and compare the convergence of the fPINNs against the finite difference method (FDM). We present the solution convergence using both the mean L 2 error as well as the standard deviation due to sensitivity to NN parameter initializations. Using different GL formulas we observe first-, second-, and third-order convergence rates for small size training sets but the error saturates for larger training sets. We explain these results by analyzing the four sources of numerical errors due to discretization, sampling, NN approximation, and optimization. The total error decays monotonically (below 10 –5 for a third-order GL formula) but it saturates beyond that point due to the optimization error. We also analyze the relative balance between discretization and sampling errors and observe that the sampling size and the number of discretization points (auxiliary points) should be comparable to achieve the highest accuracy. As we increase the depth of the NN up to certain value, the mean error decreases and the standard deviation increases, whereas the width has essentially no effect unless its value is either too small or too large. We next consider time-dependent fractional ADEs and compare white-box (WB) and BB forcing. We observe that for the WB forcing, our results are similar to the aforementioned cases; however, for the BB forcing fPINNs outperform FDM. Subsequently, we consider multidimensional time-, space-, and space-time-fractional ADEs using the directional fractional Laplacian and we observe relative errors of 10 –3 ~ 10 –4 . Lastly, we solve several inverse problems in one, two, and three dimensions to identify the fractional orders, diffusion coefficients, and transport velocities and obtain accurate results given proper initializations even in the presence of significant noise.

97 MATHEMATICS AND COMPUTING↗