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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Rendezvous algorithms for large-scale modeling and simulation

Rendezvous algorithms encode a communication pattern that is useful when processors sending data do not know who the receiving processors should be, or vice versa. The idea is to define an intermediate decomposition where datums from different sending processors can ”rendezvous” to perform a computation, in a manner that both the senders and eventual receivers of the results can identify the appropriate rendezvous processor. Though they were originally designed for interpolating between overlaid grids with independent parallel decompositions (Plimpton et al., 2004), we have recently found rendezvous algorithms useful for a variety of operations in particle- or grid-based simulation codes when running large problems on large numbers of processors. In particular, we show they can perform well when a load-balanced intermediate decomposition is randomized and not spatial, requiring all-to-all communication to move data between processors. In this case rendezvous algorithms leverage the large bisection communication bandwidths which parallel machines provide. We describe how rendezvous algorithms work in a scientific computing context and give specific examples for molecular dynamics and Direct Simulation Monte Carlo codes which result in dramatic performance improvements versus simpler algorithms which do not scale as well. We explain how a generic rendezvous algorithm can be implemented, and also point out similarities with the MapReduce paradigm popularized by Google and Hadoop.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Convolutional neural network based non-iterative reconstruction for accelerating neutron tomography *

Abstract Neutron computed tomography (NCT), a 3D non-destructive characterization technique, is carried out at nuclear reactor or spallation neutron source-based user facilities. Because neutrons are not severely attenuated by heavy elements and are sensitive to light elements like hydrogen, neutron radiography and computed tomography offer a complementary contrast to x-ray CT conducted at a synchrotron user facility. However, compared to synchrotron x-ray CT, the acquisition time for an NCT scan can be orders of magnitude higher due to lower source flux, low detector efficiency and the need to collect a large number of projection images for a high-quality reconstruction when using conventional algorithms. As a result of the long scan times for NCT, the number and type of experiments that can be conducted at a user facility is severely restricted. Recently, several deep convolutional neural network (DCNN) based algorithms have been introduced in the context of accelerating CT scans that can enable high quality reconstructions from sparse-view data. In this paper, we introduce DCNN algorithms to obtain high-quality reconstructions from sparse-view and low signal-to-noise ratio NCT data-sets thereby enabling accelerated scans. Our method is based on the supervised learning strategy of training a DCNN to map a low-quality reconstruction from sparse-view data to a higher quality reconstruction. Specifically, we evaluate the performance of two popular DCNN architectures—one based on using patches for training and the other on using the full images for training. We observe that both the DCNN architectures offer improvements in performance over classical multi-layer perceptron as well as conventional CT reconstruction algorithms. Our results illustrate that the DCNN can be a powerful tool to obtain high-quality NCT reconstructions from sparse-view data thereby enabling accelerated NCT scans for increasing user-facility throughput or enabling high-resolution time-resolved NCT scans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Imaginary Time Propagation on a Quantum Chip

We report evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter, and nuclear physics. We propose an algorithm to implement imaginary time propagation on a quantum computer. Our algorithm is devised in the context of an efficient encoding into an optimized gate, drawing on the underlying characteristics of the quantum device of a unitary operation in an extended Hilbert space. However, we prove that for simple problems it can also be successfully applied to standard digital quantum machines. This work paves the way for porting quantum many-body methods based on imaginary-time propagation to near-term quantum devices, enabling the future quantum simulation of the ground states of a broad class of microscopic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantum Embedding Theory for Strongly Correlated States in Materials

Quantum embedding theories are promising approaches to investigate strongly correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We present a detailed derivation of a quantum embedding theory recently introduced, which is based on the definition of effective Hamiltonians. The effect of the environment on a chosen active space is accounted for through screened Coulomb interactions evaluated using density functional theory. Importantly, the random phase approximation is not required, and the evaluation of virtual electronic orbitals is circumvented with algorithms previously developed in the context of calculations based on many-body perturbation theory. In addition, we generalize the quantum embedding theory to active spaces composed of orbitals that are not eigenstates of Kohn–Sham Hamiltonians. Finally, we report results for spin defects in semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Muon track reconstruction in a segmented bolometric array using multi-objective optimization

Recent advances in segmented solid-state detector arrays for rare-event searches have allowed the technology to approach the ton-scale in detector mass and the scale of meters in size. Often focused around searches for neutrinoless double-beta decay or direct dark matter detection, such experiments also have the capability to search for exotic particles that leave track-like signatures across their volume. However, the segmented nature of such detector arrays often sets the spatial resolution and makes the problem of reconstructing track-like paths non-trivial. Here, in this paper, we present an algorithm that improves reconstruction of track-like events in segmented detectors using multi-objective optimization — a computational technique that optimizes more than one cost function at a time without specifying a quantitative weighting between them. Such a technique allows the reconstruction of tracks through a detector and the determination of path-lengths through individual elements. When combined with the reconstructed energy depositions in each element this allows for a calculation of the stopping power of track-like particles and opens the door to searches for particles with abnormal stopping power like monopoles or lightly-ionizing particles (LIPs). Results are presented which evaluate the precision of the reconstruction tools as they currently stand against Monte Carlo generated data. The algorithm is presented in the context of the CUORE experiment, but has applications to other segmented calorimeter detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncer- tainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
DOE OSTI2023

Strategies for conservative and non-conservative monotone remapping on the sphere

Abstract. Monotonicity is an important property of remapping operators for coupled weather and climate models. However, it is often challenging to design highly accurate operators that avoid the generation of new extrema or keep a remapped field between physically prescribed bounds. To that end, this paper explores several traditional and novel approaches for both conservative and non-conservative monotone remapping on the sphere. The accuracy and effectiveness of these algorithms are evaluated in the context of several different real and idealized fields and meshes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncertainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems: Preprint

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncertainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
DOE OSTI2023

Extending PETSc's Composable Hierarchical Solvers (Final Technical Report)

This report documents research activities conducted at CU Boulder as part of Extending PETSc’s Composable Hierarchical Solvers, which has been part of a collaboration with Argonne National Laboratory (separate award). Our work has focused on performance-portable end-to-end GPU solvers demonstrated via exemplary applications in nonlinear fluid and structural mechanics. We describe advances in algorithmic composition and analysis in the context of these applications, but the implementations are fully documented and decoupled, and in use by other projects. We believe the vertical integration achieved through collaboration with ECP’s CEED and the PSAAP center at CU was necessary to take risks with data structures and algorithms.

42 ENGINEERING↗
DOE OSTI2022

Big Data Seismology

The discipline of seismology is based on observations of ground motion that are inherently undersampled in space and time. Our basic understanding of earthquake processes and our ability to resolve 4D Earth structure are fundamentally limited by data volume. Currently, Big Data Seismology is an emergent revolution involving the use of large, data-dense inquiries that is providing new opportunities to make fundamental advances in these areas. This article reviews recent scientific advances enabled by Big Data Seismology through the context of three major drivers: the development of new data-dense sensor systems, improvements in computing, and the development of new types of techniques and algorithms. Each driver is explored in the context of both global and exploration seismology, alongside collaborative opportunities that combine the features of long-duration data collections (common to global seismology) with dense networks of sensors (common to exploration seismology). The review explores some of the unique challenges and opportunities that Big Data Seismology presents, drawing on parallels from other fields facing similar issues. Finally, recent scientific findings enabled by dense seismic data sets are discussed, and we assess the opportunities for significant advances made possible with Big Data Seismology. This review is designed to be a primer for seismologists who are interested in getting up-to-speed with how the Big Data revolution is advancing the field of seismology.

58 GEOSCIENCES↗
DOE OSTI2025

Novel challenges in tracking self-interacting dark matter subhalos

Cosmological N-body simulations are among the primary tools for studying structure formation in the Universe. Analyses of these simulations critically depend on accurately identifying and tracking dark matter subhalos over time. In recent years, several new algorithms have been developed to improve the accuracy and consistency of subhalo tracking in cold dark matter (CDM) simulations. These algorithms should be revisited in the context of new physics beyond gravity, which can modify the evolution and final properties of subhalo populations. In this work, we apply the particle-tracking-based subhalo finder Symfind to velocity-dependent self-interacting dark matter (SIDM) simulations with large cross section amplitudes to assess the performance of particle-tracking methods beyond the CDM paradigm. We find that the core-particle-tracking technique, which is key to the success of these algorithms in CDM, does not always yield accurate results in SIDM. In particular, the interplay between dark matter self-interactions and tidal stripping can cause the diffusion of core particles to larger radii, leading particle-tracking-based algorithms to prematurely lose track of SIDM subhalos. For massive core-expansion subhalos and core-collapse subhalos that experience close or repeated pericentric passages, a significant fraction of core particles can be lost, and particle-tracking-based finders such as Symfind offer no clear advantage over traditional methods that rely on identifying phase-space overdensities. On the other hand, for subhalos with large pericentric distances or fewer, more distant passages, Symfind tends to outperform. These differences depend sensitively on the cross section amplitude and turnover velocity of the underlying SIDM model. We therefore recommend a hybrid approach that leverages the strengths of both techniques to produce complete and robust catalogs of core-expansion and core-collapse SIDM subhalos.

cosmological simulations↗
DOE OSTI2025

Reinforcement Learning-Based Oscillation Dampening: Scaling Up Single-Agent Reinforcement Learning Algorithms to a 100-Autonomous-Vehicle Highway Field Operational Test

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. Here, we explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

"Reinforcement Learning Based Oscillation Dampening: Scaling up Single-Agent RL algorithms to a 100 AV highway field operational test"

In this article, we explore the technical details of the reinforcement learning (RL) algorithms that were deployed in the largest field test of automated vehicles designed to smooth traffic flow in history as of 2023, uncovering the challenges and breakthroughs that come with developing RL controllers for automated vehicles. We delve into the fundamental concepts behind RL algorithms and their application in the context of self-driving cars, discussing the developmental process from simulation to deployment in detail, from designing simulators to reward function shaping. We present the results in both simulation and deployment, discussing the flow-smoothing benefits of the RL controller. From understanding the basics of Markov decision processes to exploring advanced techniques such as deep RL, our article offers a comprehensive overview and deep dive of the theoretical foundations and practical implementations driving this rapidly evolving field. We also showcase real-world case studies and alternative research projects that highlight the impact of RL controllers in revolutionizing autonomous driving. From tackling complex urban environments to dealing with unpredictable traffic scenarios, these intelligent controllers are pushing the boundaries of what automated vehicles can achieve. Furthermore, we examine the safety considerations and hardware-focused technical details surrounding deployment of RL controllers into automated vehicles. As these algorithms learn and evolve through interactions with the environment, ensuring their behavior aligns with safety standards becomes crucial. We explore the methodologies and frameworks being developed to address these challenges, emphasizing the importance of building reliable control systems for automated vehicles.

Jang, Kathy↗
DOE OSTI2024

SIGHT: Stacked Integration of Geospatial Hierarchical Typologies for Inferring Building Characteristics

Building characteristics are often absent in building stock datasets, particularly in regions most vulnerable to climate change and requiring effective disaster management strategies. Traditional machine learning approaches, while widely used to predict building attributes, typically neglect the spatial context of the data, leading to less accurate and reliable outcomes. To address these challenges, this paper introduces a novel algorithm, the Stacked Integration of Geospatial Hierarchical Typologies. This algorithm adapts a meta-learning framework to incorporate geospatial context into the predictive modeling process. We demonstrate the utility of the algorithm through two primary use cases: building use type classification and building height prediction. The algorithm consistently achieved or exceeded a 0.94 macro average F1 score across five geographically distinct countries for building use type classification. For building height prediction, it accurately predicted heights with a root mean square error of 3.01 in a comprehensive study using roughly 3.6 million buildings in Japan. These results underscore the benefits of integrating spatial hierarchies into machine learning models, enhancing both predictive accuracy and reliability in geospatial modeling. This work introduces a new algorithm to address the pervasive data sparsity issue in existing building stock datasets.

Adams, Daniel [ORNL] (ORCID:0000000196950577)↗
DOE OSTI2023

Dynamic Model Agnostic Reliability Evaluation of Machine-Learning Models Integrated in Instrumentation & Control Systems

In recent years, the field of machine learning (ML), specifically neural networks, has grown significantly and has spurred research in its applicability to digital instrumentation and control systems (DI&C). While ML models have shown promise in operational contexts, the trustworthiness of using such algorithms has not been adequately assessed. Failures of ML integrated systems are not well understood, and the lack of comprehensive risk modeling can degrade the trustworthiness in these systems. In recent reports by the National Institute for Standards and Technology (NIST) [1] and the Nuclear Regulatory Commission (NRC) [2], they indicate that trustworthiness in ML is a critical barrier and will play a vital role in the safe, accountable, and secure operation of intelligent systems. Thus, in this work, we demonstrate a dynamic model-agnostic method to quantify the relative reliability of AI/ML predictions by incorporating out-of-distribution (OOD) detection on the training dataset. It is well documented that most ML algorithms excel at interpolation (or near-interpolation) tasks but experience significant performance degradation at extrapolation. The method, referenced as the Laplacian distributed decay for reliability (LADDR), determines the difference between the operational and training datasets which can used to the relative reliability of AI/ML predictions. LADDR is then demonstrated on a feedforward neural network based digital twin used for the prediction of safety significant factors during a loss-of-flow transient. LADDR is used to demonstrate how training data can be used as evidence to support the relative reliability of ML/AI predictions enhancing the overall trustworthiness of the system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Elephants Sharing the Highway: Studying TCP Fairness in Large Transfers over High Throughput Links

Escalating bandwidth demand strains high-performance data networks, posing potential performance risks. TCP congestion control algorithms enhance reliability and optimize bandwidth usage. Network performance is influenced by factors such as AQM algorithms and router buffer size. In the context of constrained network resources, understanding how TCP flows share networks and the resulting performance impact is essential. This paper introduces insights into TCP fairness and performance involving a comparison of TCP CUBIC, Reno, Hamilton, and BBR versions 1 and 2 across real-world networks supporting high bandwidths of up to 25 Gbps. The research explores TCP behaviors with AQM algorithms like FIFO, FQ_CODEL, and RED, alongside diverse buffer sizes. Notably, findings reveal that manipulating buffers and queuing methods yields contrasting outcomes based on bandwidth. BBRv2 emerges as a superior fair algorithm, pivotal for swift transfers, particularly in scientific data scenarios. These results provide crucial guidance for future network design, ensuring equitable performance optimization.

Kiran, Mariam↗
DOE OSTI2022

Numerical gate synthesis for quantum heuristics on bosonic quantum processors

There is a recent surge of interest and insights regarding the interplay of quantum optimal control and variational quantum algorithms. We study the framework in the context of qudits which are, for instance, definable as controllable electromagnetic modes of a superconducting cavity system coupled to a transmon. By employing recent quantum optimal control approaches described in (Petersson and Garcia, 2021), we showcase control of single-qudit operations up to eight states, and two-qutrit operations, mapped respectively onto a single mode and two modes of the resonator. We discuss the results of numerical pulse engineering on the closed system for parametrized gates useful to implement Quantum Approximate Optimization Algorithm (QAOA) for qudits. The results show that high fidelity ( > 0.99) is achievable with sufficient computational effort for most cases under study, and extensions to multiple modes and open, noisy systems are possible. The tailored pulses can be stored and used as calibrated primitives for a future compiler in circuit quantum electrodynamics (cQED) systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗