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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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At least 451 records · Page 25

Inferring the Dynamics of the State Evolution During Quantum Annealing

To solve an optimization problem using a commercial quantum annealer, one has to represent the problem of interest as an Ising or a quadratic unconstrained binary optimization (QUBO) problem and submit its coefficients to the annealer, which then returns a user-specified number of low-energy solutions. It would be useful to know what happens in the quantum processor during the anneal process so that one could design better algorithms or suggest improvements to the hardware. However, existing quantum annealers are not able to directly extract such information from the processor. Hence, in this work we propose to use advanced features of D-Wave 2000Q to indirectly infer information about the dynamics of the state evolution during the anneal process. Specifically, D-Wave 2000Q allows the user to customize the anneal schedule, that is, the schedule with which the anneal fraction is changed from the start to the end of the anneal. Furthermore, using this feature, we design a set of modified anneal schedules whose outputs can be used to generate information about the states of the system at user-defined time points during a standard anneal. With this process, called "slicing", we obtain approximate distributions of lowest-energy anneal solutions as the anneal time evolves. We use our technique to obtain a variety of insights into the annealer, such as the state evolution during annealing, when individual bits in an evolving solution flip during the anneal process and when they stabilize, and we introduce a technique to estimate the freeze-out point of both the system as well as of individual qubits.

42 ENGINEERING↗

Narrow-Band Least-Squares Infrasound Array Processing

Infrasound data from arrays can be used to detect, locate, and quantify a variety of natural and anthropogenic sources from local to remote distances. However, many array processing methods use a single broad frequency range to process the data, which can lead to signals of interest being missed due to the choice of frequency limits or simultaneous clutter sources. In this work, we introduce a new open-source Python code that processes infrasound array data in multiple sequential narrow frequency bands using the least-squares approach. We test our algorithm on a few examples of natural sources (volcanic eruptions, mass movements, and bolides) for a variety of array configurations. Our method reduces the need to choose frequency limits for processing, which may result in missed signals, and it is parallelized to decrease the computational burden. Improvements of our narrow-band least-squares algorithm over broad-band least-squares processing include the ability to distinguish between multiple simultaneous sources if distinct in their frequency content (e.g., microbarom or surf vs. volcanic eruption), the ability to track changes in frequency content of a signal through time, and a decreased need to fine-tune frequency limits for processing. We incorporate a measure of planarity of the wavefield across the array (sigma tau, στ) as well as the ability to utilize the robust least trimmed squares algorithm to improve signal processing and insight into array performance. Our implementation allows for more detailed characterization of infrasound signals recorded at arrays that can improve monitoring and enhance research capabilities.

58 GEOSCIENCES↗

Hybrid Quantum-Classical Eigensolver without Variation or Parametric Gates

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here, we present a process for obtaining the eigenenergy spectrum of electronic quantum systems. This is achieved by projecting the Hamiltonian of a quantum system onto a limited effective Hilbert space specified by a set of computational bases. From this projection, an effective Hamiltonian is obtained. Furthermore, a process for preparing short depth quantum circuits to measure the corresponding diagonal and off-diagonal terms of the effective Hamiltonian is given, whereby quantum entanglement and ancilla qubits are used. The effective Hamiltonian is then diagonalized on a classical computer using numerical algorithms to obtain the eigenvalues. The use case of this approach is demonstrated for ground state and excited states of BeH2 and LiH molecules, and the density of states, which agrees well with exact solutions. Additionally, hardware demonstration is presented using IBM quantum devices for H2 molecule.

Jouzdani, Pejman (ORCID:0000000256470381)↗

Variational quantum algorithms

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers, owing to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will probably not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational quantum algorithms (VQAs), which use a classical optimizer to train a parameterized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisaged for quantum computers, and they appear to be the best hope for obtaining quantum advantage. Nevertheless, challenges remain, including the trainability, accuracy and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges and finally, we highlight the exciting prospects for using them to obtain quantum advantage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Can Simple Metrics Identify the Process(es) Driving Extreme Precipitation?

This work seeks an automatic algorithm to determine the primary meteorological cause(s) of individual extreme precipitation events. Such determinations have been made before, but required a by-hand analysis of each separate event. This is very time-consuming and the field would benefit from an automatic process. This is especially relevant when comparing different datasets to determine which ones most closely hew towards reality. This paper tests three simple metrics over the continental United States using the European Center for Medium-Range Weather Forecasting’s (ECMWF) atmospheric reanalysis (ERA5). The metrics tested measure and compare the strength of three meteorological processes associated with extreme precipitation: fronts, convection, and cyclones. A multivariate statistical technique as well as individual case studies show evidence that the three meteorological processes of interest cannot be isolated from one another using these simple physical metrics. This shows the difficulty in finding “pure” cases of these precipitation-generating processes and suggests approaching these processes with an eye toward mixed-type events.

Swenson, Leif M. (ORCID:0000000199708735)↗

Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

Work on the project advanced molecular level understanding, prediction and control of nanoscale hydration in salt solutions under electric stimuli or ionic patterning. Permeation of nanoporous electrodes at preset voltage underlies the function of ultracapacitors. Transitory regulation of wetting in nanoporous media by electric field spans an array of applications in materials, energy storage, and separation sciences. The physically related modulation of nanoparticle solubility by surface charges can significantly extend the range of the nanomaterial applications, improve processing techniques, and potentially alleviate environmental concerns. Pore/solution equilibria, and activated kinetics of liquid gating by nanoconfined electrolytes are challenging problems at the forefront of experimental and theoretical research. Addressing these problems from a molecular perspective required the development of state-of-the-art simulation algorithms in statistical mechanics to capture complex processes in open systems under electric control. Parallel studies of wetting and dispersibility of polar and ionizing particles aim to uncover predictive relations between electrowetting, chemical functionalization, and geometry of nanomaterial particles. By nonequilibrium dynamic modeling, we elucidated electrolyte flow in nanochanels and associated electrokinetic energy conversion. Research on the program provided training opportunities for the next generation of scientists in computational chemistry. Insights, and methods from the project implicate broad segment of researchers in energy and nanosciences, materials and surface chemistry.

74 ATOMIC AND MOLECULAR PHYSICS↗

GPU-Accelerated Machine Learning Inference as a Service for Computing in Neutrino Experiments

Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the data volumes of such experiments are rapidly increasing. The demand to process billions of neutrino events with many machine learning algorithm inferences creates a computing challenge. We explore a computing model in which heterogeneous computing with GPU coprocessors is made available as a web service. The coprocessors can be efficiently and elastically deployed to provide the right amount of computing for a given processing task. With our approach, Services for Optimized Network Inference on Coprocessors (SONIC), we integrate GPU acceleration specifically for the ProtoDUNE-SP reconstruction chain without disrupting the native computing workflow. With our integrated framework, we accelerate the most time-consuming task, track and particle shower hit identification, by a factor of 17. This results in a factor of 2.7 reduction in the total processing time when compared with CPU-only production. For this particular task, only 1 GPU is required for every 68 CPU threads, providing a cost-effective solution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Phase retrieval and reconstruction of coherent synthesis by genetic algorithm

Abstract In the context of diffractive optics, phase retrieval is a heavily investigated process of recreating an entire complex electric field from partial amplitude-only information through iterative algorithms. However, existing methods can fall into local minima during reconstructions or struggle to recover unusual and novel electric field distributions. We present a numerical method based on a global-optimization genetic algorithm that reconstructs non-trivial electric field distributions from single diffracted intensity distributions. Diffraction and propagation of the optical fields over arbitrary distances is modeled through implementation of the angular spectrum technique. Additionally, a coherently-locked laser array system is used as an experimental case-study demonstrating 0.09 π phase reconstruction accuracy of initial laser parameters from single intensity images.

59 BASIC BIOLOGICAL SCIENCES↗

Scalable Pattern Matching in Metadata Graphs via Constraint Checking

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: They do not scale to process large graphs and/or support only a restricted set of search templates or usage scenarios. Moreover, the algorithms at the core of the existing techniques are not suitable for today’s graph processing infrastructures relying on horizontal scalability and shared-nothing clusters, as most of these algorithms are inherently sequential and difficult to parallelize. In this article we present an algorithmic pipeline that bases pattern matching on constraint checking. The key intuition is that each vertex and edge participating in a match has to meet a set of constraints implicitly specified by the search template. These constraints can be verified independently and typically are less expensive to compute than searching the full template. The pipeline we propose generates these constraints and iterates over them to eliminate all the vertices and edges that do not participate in any match, thus reducing the background graph to a subgraph that is the union of all template matches—the complete set of all vertices and edges that participate in at least one match. Additional analysis can be performed on this annotated, reduced graph, such as full match enumeration, match counting, or computing vertex/edge centrality. Furthermore, a vertex-centric formulation for constraint checking algorithms exists, and this makes it possible to harness existing high-performance, vertex-centric graph processing frameworks. This technique (i) enables highly scalable pattern matching in metadata (labeled) graphs; (ii) supports arbitrary patterns with 100% precision; (iii) enables tradeoffs between precision and time-to-solution, while always selects all vertices and edges that participate in matches, thus offering 100% recall; and (iv) supports a set of popular data analytics scenarios. We implement our approach on top of HavoqGT, an open-source asynchronous graph processing framework, and demonstrate its advantages through strong and weak scaling experiments on massive scale real-world (up to 257 billion edges) and synthetic (up to 4.4 trillion edges) labeled graphs, respectively, and at scales (1,024 nodes / 36,864 cores), orders of magnitude larger than used in the past for similar problems. This article serves two purposes: First, it synthesises the knowledge accumulated during a long-term project. Second, it presents new system features, usage scenarios, optimizations, and comparisons with related work that strengthen the confidence that pattern matching based on iterative pruning via constraint checking is an effective and scalable approach in practice. The new contributions include the following: (i) We demonstrate the ability of the constraint checking approach to efficiently support two additional search scenarios that often emerge in practice, interactive incremental search and exploratory search. (ii) We empirically compare our solution with two additional state-of-the-art systems, Arabsque and TriAD. (iii) We show the ability of our solution to accommodate a more diverse range of datasets with varying properties, e.g., scale, skewness, label distribution, and match frequency. (iv) We introduce or extend a number of system features (e.g., work aggregation, load balancing, and the ability to cap the generated traffic) and design optimizations and demonstrate their advantages with respect to improving performance and scalability. (v) We present bottleneck analysis and insights into artifacts that influence performance. (vi) We present a theoretical complexity argument that motivates the performance gains we observe.

97 MATHEMATICS AND COMPUTING↗

Imaging of Calibrated Defects in Additively Manufactured Materials: Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components

Additive manufacturing (AM, or 3D printing) for commercial nuclear energy applications is an emerging method for cost-efficient manufacturing aimed at replacing aging nuclear reactor parts and reducing costs for new construction. Known material flaws in AM include low-density regions consisting of non-sintered powder, which have to be detected to ensure the safety of long-term performance nuclear reactor components. Currently, limited options are available for nondestructive evaluation (NDE), either during or post manufacturing. As a solution to NDE of AM, we are developing pulsed thermal imaging which is non-contact, one-sided, and scalable to arbitrary size and shape of the AM parts. Pulsed thermography (PT) system utilizes a high intensity flash lamp to rapidly heat surface of sample, and a high sensitivity fast-frame megapixel infrared (IR) camera to capture data of surface temperature variations. The acquired data cube consists of a stack of surface temperature images taken at different times. Information about material internal defects is extracted by analyzing the data cube. This report provides results of preliminary performance evaluation of pulsed thermal imaging capability in detection of imprinted flaws in AM metallic structures. The flaws were introduced into AM parts as imprinted hemispherical low density regions, consisting of trapped un-sintered metallic powder. Specimens for developed for this study consisted of AM stainless steel 316 and Inconel 718 plates. The diameters of imprinted defects varied from 1mm to 8mm, and their depths below the plate flat surface varied between 1mm and 6mm. Pulsed thermal tomography (PTT) processes the measured data cube to obtain 3D reconstructions of material effusivity using a unique inversion algorithm developed at Argonne. PTT has been previously used in imaging of similar size flat bottom hole (FBH) simulated defects in stainless steel 316 and Inconel 718 specimens. In the study involving AM specimens, PTT imaging results have shown that 1mm-diameter defects located 1mm and 2mm below the surface of specimens were detectable. Larger size defects were detectable at greater depth. We also explored an alternative approach to detection of material flaws in PT data cube, which is using neural learning-based approach to blind source separation. Detection of small material defects requires finding features in the data cube which have signal contrast levels approaching sensitivity limit of IR camera. In this study, an optimized Neural Learning based Blind Source Separation (NLBSS) algorithm, including Principal Component Analysis (PCA), and Independent Component Analysis (ICA) is demonstrated to automatically extract principal temporal and spatial features of thermography frames to enhance flaw detection. By using the NLBSS algorithm, material internal defects can be automatically detected. Furthermore, this processing approach compensates for experimental thermal imaging artifacts, such as noise and uneven heating. By merging artificial intelligence with phtotothermics, the NDE system detects internal calibrated defects of various sizes and depths in AM nuclear-grade metallic alloys.

36 MATERIALS SCIENCE↗

A quantum algorithm to efficiently sample from interfering binary trees

Quantum computers provide an opportunity to efficiently sample from probability distributions that include non-trivial interference effects between amplitudes. Using a simple process wherein all possible state histories can be specified by a binary tree, we construct an explicit quantum algorithm that runs in polynomial time to sample from the process once. The corresponding naive Markov Chain algorithm does not produce the correct probability distribution and an explicit classical calculation of the full distribution requires exponentially many operations. Finally, the problem can be reduced to a system of two qubits with repeated measurements, shedding light on a quantum-inspired efficient classical algorithm.

97 MATHEMATICS AND COMPUTING↗

Towards a more general understanding of the algorithmic utility of recurrent connections

Lateral and recurrent connections are ubiquitous in biological neural circuits. Yet while the strong computational abilities of feedforward networks have been extensively studied, our understanding of the role and advantages of recurrent computations that might explain their prevalence remains an important open challenge. Foundational studies by Minsky and Roelfsema argued that computations that require propagation of global information for local computation to take place would particularly benefit from the sequential, parallel nature of processing in recurrent networks. Such “tag propagation” algorithms perform repeated, local propagation of information and were originally introduced in the context of detecting connectedness, a task that is challenging for feedforward networks. Here, we advance the understanding of the utility of lateral and recurrent computation by first performing a large-scale empirical study of neural architectures for the computation of connectedness to explore feedforward solutions more fully and establish robustly the importance of recurrent architectures. In addition, we highlight a tradeoff between computation time and performance and construct hybrid feedforward/recurrent models that perform well even in the presence of varying computational time limitations. We then generalize tag propagation architectures to propagating multiple interacting tags and demonstrate that these are efficient computational substrates for more general computations of connectedness by introducing and solving an abstracted biologically inspired decision-making task. Our work thus clarifies and expands the set of computational tasks that can be solved efficiently by recurrent computation, yielding hypotheses for structure in population activity that may be present in such tasks.

59 BASIC BIOLOGICAL SCIENCES↗

A Hybrid DC Fault Primary Protection Algorithm for Multi-Terminal HVdc Systems

Protection against dc faults is one of the main technical hurdles faced when operating converter-based HVdc systems. Protection becomes even more challenging for multi-terminal dc (MTdc) systems with more than two terminals/converter stations. In this paper, a hybrid primary fault detection algorithm for MTdc systems is proposed to detect a broad range of failures. Sensor measurements, i.e., line currents and dc reactor voltages measured at local terminals, are first processed by a top-level context clustering algorithm. For each cluster, the best fault detector is selected among a detector pool according to a rule resulting from a learning algorithm. The detector pool consists of several existing detection algorithms, each performing differently across fault scenarios. The proposed hybrid primary detection algorithm: i) offers superior performance compared to an individual detector through a data-driven approach; ii) detects all major fault types including pole-to-pole (P2P), pole-to-ground (P2G), and external dc faults; iii) identifies faults with various fault locations and impedances; iv) is more robust to noisy sensor measurements compared to existing methods; v) does not require exhaustive simulation and sampling for training the model. Performance and effectiveness of the proposed algorithm are evaluated and verified based on time-domain simulations in the PSCAD/EMTDC software environment. The results confirm satisfactory operation, accuracy, and detection speed of the proposed algorithm under various fault scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Enhancing Camera Calibration for Traffic Surveillance with an Integrated Approach of Genetic Algorithm and Particle Swarm Optimization

Recent advancements in sensor technologies, coupled with signal processing and machine learning, have enabled real-time traffic control systems to effectively adapt to changing traffic conditions. Cameras, as sensors, offer a cost-effective means to determine the number, location, type, and speed of vehicles, aiding decision-making at traffic intersections. However, the effective use of cameras for traffic surveillance requires proper calibration. This paper proposes a new optimization-based method for camera calibration. In this approach, initial calibration parameters are established using the Direct Linear Transformation (DLT) method. Then, optimization algorithms are applied to further refine the calibration parameters for the correction of nonlinear lens distortions. A significant enhancement in the optimization process is achieved through the integration of the Genetic Algorithm (GA) and Particle Swarm Optimization (PSO) into a combined Integrated GA and PSO (IGAPSO) technique. The effectiveness of this method is demonstrated through the calibration of eleven roadside cameras at three different intersections. The experimental results show that when compared to the baseline DLT method, the vehicle localization error is reduced by 22.30% with GA, 22.31% with PSO, and 25.51% with IGAPSO.

47 OTHER INSTRUMENTATION↗

Physics for neuromorphic computing

Neuromorphic computing takes inspiration from the brain to create energy-efficient hardware for information processing, capable of highly sophisticated tasks. Systems built with standard electronics achieve gains in speed and energy by mimicking the distributed topology of the brain. Scaling-up such systems and improving their energy usage, speed and performance by several orders of magnitude requires a revolution in hardware. Here, we discuss how including more physics in the algorithms and nanoscale materials used for data processing could have a major impact in the field of neuromorphic computing. We review striking results that leverage physics to enhance the computing capabilities of artificial neural networks, using resistive switching materials, photonics, spintronics and other technologies. We discuss the paths that could lead these approaches to maturity, towards low-power, miniaturized chips that could infer and learn in real time.

device physics↗

Generalized Quantum Convolution for Multidimensional Data

The convolution operation plays a vital role in a wide range of critical algorithms across various domains, such as digital image processing, convolutional neural networks, and quantum machine learning. In existing implementations, particularly in quantum neural networks, convolution operations are usually approximated by the application of filters with data strides that are equal to the filter window sizes. One challenge with these implementations is preserving the spatial and temporal localities of the input features, specifically for data with higher dimensions. In addition, the deep circuits required to perform quantum convolution with a unity stride, especially for multidimensional data, increase the risk of violating decoherence constraints. In this work, we propose depth-optimized circuits for performing generalized multidimensional quantum convolution operations with unity stride targeting applications that process data with high dimensions, such as hyperspectral imagery and remote sensing. We experimentally evaluate and demonstrate the applicability of the proposed techniques by using real-world, high-resolution, multidimensional image data on a state-of-the-art quantum simulator from IBM Quantum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-bandwidth image-based predictive laser stabilization via optimized Fourier filters

Controlling the delivery of kHz-class pulsed lasers is of interest in a variety of industrial and scientific applications, from next-generation laser-plasma acceleration to laser-based x-ray emission and high-precision manufacturing. The transverse position of the laser pulse train on the application target is often subject to fluctuations by external drivers (e.g., room cooling and heating systems, motorized optics stages and mounts, vacuum systems, chillers, and/or ground vibrations). For typical situations where the disturbance spectrum exhibits discrete peaks on top of a broad-bandwidth lower-frequency background, traditional PID (proportional-integral-derivative) controllers may struggle, since as a general rule PID controllers can be used to suppress vibrations up to only about 5%–10% of the sampling frequency. Here, a predictive feed-forward algorithm is presented that significantly enhances the stabilization bandwidth in such laser systems (up to the Nyquist limit at half the sampling frequency) by online identification and filtering of one or a few discrete frequencies using optimized Fourier filters. Furthermore, the system architecture demonstrated here uses off-the-shelf CMOS cameras and piezo-electric actuated mirrors connected to a standard PC to process the alignment images and implement the algorithm. To avoid high-end, high-cost components, a machine-learning-based model of the piezo mirror’s dynamics was integrated into the system, which enables high-precision positioning by compensating for hysteresis and other hardware-induced effects. A successful demonstration of the method was performed on a 1 kHz laser pulse train, where externally-induced vibrations of up to 400 Hz were attenuated by a factor of five, far exceeding what could be done with a standard PID scheme.

Natal, Joseph↗