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All sources NASA NTRS DOE OSTI

DOE OSTI2024

Utilizing HYSPLIT for Emergency Response Modeling at SRS

At SRS, emergency responders use a variety of tools to detect, track, and mitigate hazardous material releases into the atmosphere. Two models currently used at SRS are Puff-Plume and the Lagrangian Particle Dispersion Model (LPDM), a Gaussian and Lagrangian model, respectively. A decision has been made to replace LPDM with the more widely-supported Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model for evaluating inhalation and ingestion doses following a release. HYSPLIT is designed to compute complex dispersion and deposition simulation To achieve the implementation of HYSPLIT, we have developed a preliminary UI framework that will allow HYSPLIT to be run on ATG computers without the need for active network connections, thus avoiding the loss of capabilities in the event of a network outage during an emergency.

Earley, Ian↗

DOE OSTI2023

Challenges and Opportunities in Deep Reinforcement Learning With Graph Neural Networks: A Comprehensive Review of Algorithms and Applications

Deep reinforcement learning (DRL) has empowered a variety of artificial intelligence fields, including pattern recognition, robotics, recommendation-systems, and gaming. Similarly, graph neural networks (GNN) have also demonstrated their superior performance in supervised learning for graph-structured data. In recent times, the fusion of GNN with DRL for graph-structured environments has attracted a lot of attention. Here, this paper provides a comprehensive review of these hybrid works. These works can be classified into two categories: (1) algorithmic enhancement, where DRL and GNN complement each other for better utility; (2) application-specific enhancement, where DRL and GNN support each other. This fusion effectively addresses various complex problems in engineering and life sciences. Based on the review, we further analyze the applicability and benefits of fusing these two domains, especially in terms of increasing generalizability and reducing computational complexity. Finally, the key challenges in integrating DRL and GNN, and potential future research directions are highlighted, which will be of interest to the broader machine learning community.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Randomized methods to characterize large-scale vortical flow networks

We demonstrate the effective use of randomized methods for linear algebra to perform network-based analysis of complex vortical flows. Network theoretic approaches can reveal the connectivity structures among a set of vortical elements and analyze their collective dynamics. These approaches have recently been generalized to analyze high-dimensional turbulent flows, for which network computations can become prohibitively expensive. In this work, we propose efficient methods to approximate network quantities, such as the leading eigendecomposition of the adjacency matrix, using randomized methods. Specifically, we use the Nyström method to approximate the leading eigenvalues and eigenvectors, achieving significant computational savings and reduced memory requirements. The effectiveness of the proposed technique is demonstrated on two high-dimensional flow fields: two-dimensional flow past an airfoil and two-dimensional turbulence. We find that quasi-uniform column sampling outperforms uniform column sampling, while both feature the same computational complexity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

A simple and fast algorithm for estimating the capacity credit of solar and storage

Energy storage is a leading option to enhance the resource adequacy contribution of solar energy. Detailed analysis of the capacity credit of solar energy and energy storage is limited in part due to the data intensive and computationally complex nature of probabilistic resource adequacy assessments. This paper presents a simple algorithm for calculating the capacity credit of energy-limited resources that, due to the low computational and data needs, is well suited to exploratory analysis. Validation against benchmarks based on probabilistic techniques shows that it can yield similar insights. The method is used to evaluate the impact of different solar and storage configurations, particularly with respect to the strategy for coupling storage and solar photovoltaic systems. Furthermore, application of the method to a case study of utilities in Florida, where solar is rapidly growing and demand peaks in the winter and summer, demonstrates that it can improve on rules of thumb used in practice by some utilities. If storage is required to charge only from solar, periods of high demand driven by cold weather events accompanied by lower solar production can result in a capacity credit of solar and storage that is less than the capacity credit of storage alone.

14 SOLAR ENERGY↗

DOE OSTI2021

A novel framework for hosting capacity analysis with spatio-temporal probabilistic voltage sensitivity analysis

Smart grids are envisioned to accommodate high penetration of distributed photovoltaic (PV) generation, which may cause adverse grid impacts in terms of voltage violations. Therefore, PV Hosting capacity is being used as a planning tool to determine the maximum PV installation capacity that causes the first voltage violation and above which would require infrastructure upgrades. Additionally, traditional methods of Hosting capacity analysis are scenario based and computationally complex as they rely on iterative load flow algorithms that require investigating a large number of scenarios for accurate assessment of PV impacts. Therefore, this paper presents a computationally efficient analytical approach to compute the probability distribution of voltage change due to random behavior of randomly located multiple distributed PVs. The proposed approach is based on Spatio-temporal probabilistic voltage sensitivity analysis that exploits both spatial and temporal uncertainties associated with PV injections. Thereafter, the derived distribution is used to quantify voltage violations for various PV penetration levels and subsequently determine the hosting capacity of the system without the need to examine large number of scenarios. Results of the proposed framework are validated via conventional load flow based simulation approach on the IEEE 37 and IEEE 123 node test systems.

42 ENGINEERING↗

DOE OSTI2023

Managing Software Provenance to Enhance Reproducibility in Computational Research

Scientific processes rely on software as an important tool for data acquisition, analysis, and discovery. Over the years, sustainable software development practices have made progress in being considered as an integral component of research. However, management of computation-based scientific studies is often left to individual researchers who design their computational experiments based on personal preferences and the nature of the study. Here, we believe that the quality, efficiency, and reproducibility of computation-based scientific research can be improved by explicitly creating an execution environment that allows researchers to provide a clear record of traceability. This is particularly relevant to complex computational studies in high-performance computing (HPC) environments. In this article, we review the documentation required to maintain a comprehensive record of HPC computational experiments for reproducibility. We also provide an overview of tools and practices that we have developed to perform such studies around Flash-X, a multiphysics scientific software.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Pececillo

Pececillo is a proxy-app for the open source Truchas metal processing code (LA-CC-15-097). It implements many of the physics models used in Truchas: free-surface, incompressible Navier-Stokes fluid dynamics (e.g., water waves); heat transport, material phase change, view factor thermal radiation; species advection-diffusion; quasi-static, elastic/plastic solid mechanics with contact; electomagnetics (Maxwell's equations). The models are simplified versions that retain the fundamental computational complexity of the Truchas models while omitting many non-essential features and modeling capabilities. The purpose is to expose Truchas algorithms in a greatly simplified context where computer science problems related to parallel performance on advanced architectures can be more easily investigated. While Pececillo is capable of performing simulations representative of typical Truchas metal casting, welding, and additive manufacturing simulations, it lacks many of the modeling capabilites needed for real applications.

Jibben, Zechariah↗

DOE OSTI2017

Pececillo

Carlson, Neil↗

DOE OSTI2015

Real-Time Corrective Switching in Response to Simultaneous Contingencies

The standard optimal power flow (OPF) problem is an economic dispatch (ED) problem combined with transmission constraints, which are based on a static topology. Prior research has demonstrated that cooptimization of generation dispatch and transmission topology results in cost savings. However, the computational complexity associated with topology control (TC) has been a major deterrent to its implementation. The proposed work investigates the application of a heuristic, a greedy algorithm, to improve the computational time for the TC problem while still maintaining the ability to find quality solutions. An expression is derived, which indicates the impact on the objective for a marginal change in the state of a transmission line. This expression is used to generate a priority list with potential candidate lines for switching, which may provide huge improvements to the system. The advantage of this method is that it is a fast heuristic as compared to using mixed integer programming (MIP) to find a solution. The heuristic is tested on real-time applications such as N-1 events, N - m events (m simultaneous contingencies), and cascading events. The proposed algorithm specifically targets cases that lead to load shedding in the system and provides a quick and efficient method to restore the loads by improving the deliverability of reserves via TC. Simulation results on the IEEE 73 bus test system and the IEEE 118 bus test system suggest a significant improvement in the amount of load served to the system with TC as opposed to without TC with minimal time and computation.

Electric power systems↗

DOE OSTI2015

A multilevel stochastic collocation method for SPDEs

We present a multilevel stochastic collocation method that, as do multilevel Monte Carlo methods, uses a hierarchy of spatial approximations to reduce the overall computational complexity when solving partial differential equations with random inputs. For approximation in parameter space, a hierarchy of multi-dimensional interpolants of increasing fidelity are used. Rigorous convergence and computational cost estimates for the new multilevel stochastic collocation method are derived and used to demonstrate its advantages compared to standard single-level stochastic collocation approximations as well as multilevel Monte Carlo methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Exact signed distance fields using parallel Fast Sweeping Method

Signed distance fields are often used in multiphysics simulations to track material interfaces. We present a simple methodology based on the fast sweeping method to generate the exact signed distance from triangular meshes and linear paths on Cartesian grids. The methodology propagates the closest primitive to the boundary to the rest of the domain following the characteristics. A local upwind criterion is used to decide between the new and existing closest primitive at each grid point while capturing the correct sign of the global function. The methodology has optimal computational complexity and runs efficiently in distributed-memory architectures. We include 2D and 3D test cases along with a resolution study up to 0.512 trillion zones and 1,000 computer cores. The solution strategy can also be applied to other types of meshes or collections of primitives.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

Design of a real-time wind turbine simulator using a custom parallel architecture

The design of a new parallel-processing digital simulator is described. The new simulator has been developed specifically for analysis of wind energy systems in real time. The new processor has been named: the Wind Energy System Time-domain simulator, version 3 (WEST-3). Like previous WEST versions, WEST-3 performs many computations in parallel. The modules in WEST-3 are pure digital processors, however. These digital processors can be programmed individually and operated in concert to achieve real-time simulation of wind turbine systems. Because of this programmability, WEST-3 is very much more flexible and general than its two predecessors. The design features of WEST-3 are described to show how the system produces high-speed solutions of nonlinear time-domain equations. WEST-3 has two very fast Computational Units (CU's) that use minicomputer technology plus special architectural features that make them many times faster than a microcomputer. These CU's are needed to perform the complex computations associated with the wind turbine rotor system in real time. The parallel architecture of the CU causes several tasks to be done in each cycle, including an IO operation and the combination of a multiply, add, and store. The WEST-3 simulator can be expanded at any time for additional computational power. This is possible because the CU's interfaced to each other and to other portions of the simulation using special serial buses. These buses can be 'patched' together in essentially any configuration (in a manner very similar to the programming methods used in analog computation) to balance the input/ output requirements. CU's can be added in any number to share a given computational load. This flexible bus feature is very different from many other parallel processors which usually have a throughput limit because of rigid bus architecture.

Hoffman, John A.↗

NASA NTRS1990

Method for concurrent execution of primitive operations by dynamically assigning operations based upon computational marked graph and availability of data

Computationally complex primitive operations of an algorithm are executed concurrently in a plurality of functional units under the control of an assignment manager. The algorithm is preferably defined as a computationally marked graph contianing data status edges (paths) corresponding to each of the data flow edges. The assignment manager assigns primitive operations to the functional units and monitors completion of the primitive operations to determine data availability using the computational marked graph of the algorithm. All data accessing of the primitive operations is performed by the functional units independently of the assignment manager.

Stoughton, John W.↗

NASA NTRSDate not supplied

Seeing is Believing: Monitoring Future Time Temporal Logic

Runtime monitors for future-time unbounded temporal logics like RVLTL, LTL 3 and FLTL, have double-exponential (2^2^n) worst-case space complexity bounds in size of the input formula. The semantics of these logics require monitors to perform general satisfiability solving for LTL expressions, a well-studied problem whose computational complexity is NP-hard and PSPACE-complete. This paper introduces an unbounded future-time linear temporal logic defined over a lattice. We call our logic an incremental temporal logic as it can be viewed as incrementally constructing proofs about the trace. On this account, we view online runtime monitoring as a decision procedure for proofs systems about incrementally growing traces. We demonstrate that our incremental temporal logic allows monitor construction to void satisfiability solving while still soundly detecting when the property is violated in an online fashion. This enables asymptotic improvements in space complexity. As proof, we provide a procedure to construct monitors that utilize linear space and time in the size of the input formula, while remaining constant in the size of the input stream and suitable for online monitoring. We further demonstrate, through several examples, that our incremental temporal logic is straightforward to adopt and practical for runtime verification.

temporal logic↗

NASA NTRS1993

Cognitive engineering models: A prerequisite to the design of human-computer interaction in complex dynamic systems

This chapter examines a class of human-computer interaction applications, specifically the design of human-computer interaction for the operators of complex systems. Such systems include space systems (e.g., manned systems such as the Shuttle or space station, and unmanned systems such as NASA scientific satellites), aviation systems (e.g., the flight deck of 'glass cockpit' airplanes or air traffic control) and industrial systems (e.g., power plants, telephone networks, and sophisticated, e.g., 'lights out,' manufacturing facilities). The main body of human-computer interaction (HCI) research complements but does not directly address the primary issues involved in human-computer interaction design for operators of complex systems. Interfaces to complex systems are somewhat special. The 'user' in such systems - i.e., the human operator responsible for safe and effective system operation - is highly skilled, someone who in human-machine systems engineering is sometimes characterized as 'well trained, well motivated'. The 'job' or task context is paramount and, thus, human-computer interaction is subordinate to human job interaction. The design of human interaction with complex systems, i.e., the design of human job interaction, is sometimes called cognitive engineering.

Mitchell, Christine M.↗

DOE OSTI2022

An Ensemble Approach to Computationally Efficient Radiological Anomaly Detection and Isotope Identification

Radiological source search is a challenging task involving detection and identification of weak sources in a constantly changing radiological background. As of now, many radiological source detection algorithms have been proposed; however, their computational complexity, and hence reliance on power intensive processing units inhibit low-power applications of radiological source search systems. In this work, we introduce the anomaly filter (AF) algorithm; a computationally light, yet effective time-series source detection algorithm based on exponential weighted moving average (EWMA) and Poisson deviance statistics. Then, we demonstrate that the proposed algorithm can be used in ensemble with other more computationally intensive source detection and identification algorithms to achieve both increased detection performance and reduced power consumption. The proposed AF algorithm and the ensemble algorithms were thoroughly benchmarked against several existing source detection and identification algorithms. The results show that the AF algorithm outperforms existing conventional source detection algorithms, and the ensemble approach improves the overall performance of existing source detection and isotope identification algorithms. Furthermore, the AF algorithm and the Non-negative Matrix Factorization approach based source identification (NMF-ID) algorithm were combined and implemented on a singleboard microcontroller and the power consumption was measured. This ensemble algorithm reduced the power consumption of the NMF-ID algorithm almost by a factor of 100, while improving the detection performance of the overall system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Design of Experiments, Model Calibration and Data Assimilation

This presentation provides an overview of emulation, calibration and experiment design for computer experiments. Emulation refers to building a statistical surrogate from a carefully selected and limited set of model runs to predict unsampled outputs. The standard kriging approach to emulation of complex computer models is presented. Calibration refers to the process of probabilistically constraining uncertain physics/engineering model inputs to be consistent with observed experimental data. An initial probability distribution for these parameters is updated using the experimental information. Markov chain Monte Carlo (MCMC) algorithms are often used to sample the calibrated parameter distribution. Several MCMC algorithms commonly employed in practice are presented, along with a popular diagnostic for evaluating chain behavior. Space-filling approaches to experiment design for selecting model runs to build effective emulators are discussed, including Latin Hypercube Design and extensions based on orthogonal array skeleton designs and imposed symmetry requirements. Optimization criteria that further enforce space-filling, possibly in projections of the input space, are mentioned. Designs to screen for important input variations are summarized and used for variable selection in a nuclear fuels performance application. This is followed by illustration of sequential experiment design strategies for optimization, global prediction, and rare event inference.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1981

Contextual classification on PASM

The use of N microprocessors in the SIMD mode of parallel processing to do classifications almost N times faster than a single microprocessor is discussed. Examples of contextual classifiers are given, uniprocessor algorithms for performing contextual classifications are presented, and their computational complexity is analyzed. The SIMD mode of parallel processing is defined and PASM is overviewed. The presented uniprocessor algorithms are used as a basis for developing parallel algorithms for performing computationally intensive contextual classifications.

Siegel, H. J.↗