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At least 703 records · Page 39

Spherical Region Queries on Multicore Architectures

In this short paper, we report the performance of multiple thread-parallel algorithms for spherical region queries on multicore architectures motivated by a challenging data analytics application in materials science. Performances of two tree-based algorithms and a naive algorithm are compared to identify the length scales at which these approaches perform optimally. The optimal algorithm is then used to scale the driving materials science application, which is shown to deliver over 17X speedup using 32 OpenMP threads on data sets containing many millions of atoms.

Lu, Hao↗

VULCON: A System for Vulnerability Prioritization, Mitigation, and Management

Vulnerability remediation is a critical task in operational software and network security management. In this paper, an effective vulnerability management strategy, called VULCON (VULnerability CONtrol), is developed and evaluated. The strategy is based on two fundamental performance metrics: i). Time-to-Vulnerability Remediation (TVR) and; ii). Total Vulnerability Exposure (TVE). VULCON takes as input real vulnerability scan reports, metadata about the discovered vulnerabilities, asset criticality, and personnel resources. VULCON uses a mixed integer multi-objective optimization algorithm to prioritize vulnerabilities for patching, such that the above performance metrics are optimized subject to the given resource constraints. VULCON has been tested on multiple months of real scan data from a Cyber-Security Operations Center (CSOC). Results indicate an overall Total Vulnerability Exposure reduction of 8.97\% when VULCON optimizes a realistic security analyst workforce's effort. Additionally, it is demonstrated that VULCON can determine monthly resources required to maintain a target TVE score. As such, VULCON provides valuable operational guidance for improving vulnerability response processes in CSOCs.

Farris, Katheryn A.↗

Surrogate Optimization of Computationally Expensive Black-Box Problems with Hidden Constraints (SHEBO) v1.0

SHEBO (surrogate optimization of problems with hidden constraints and expensive black-box objectives) is an efficient optimization algorithm that employs surrogate models to solve computationally expensive black-box simulation optimization problems that have hidden constraints. Hidden constraints are encountered when the objective function evaluation does not return a value for a parameter vector. These constraints are often encountered in optimization problems in which the objective function is computed by a black-box simulation code. SHEBO uses a combination of local and global search strategies together with an evaluability prediction function and a dynamically adjusted evaluability threshold to iteratively select new sample points.

Mueller, Juliane↗

LDRD Report: Topological Design Optimization of Convolutes in Next Generation Pulsed Power Devices.

This LDRD project was developed around the ambitious goal of applying PDE-constrained opti- mization approaches to design Z-machine components whose performance is governed by elec- tromagnetic and plasma models. This report documents the results of this LDRD project. Our differentiating approach was to use topology optimization methods developed for structural design and extend them for application to electromagnetic systems pertinent to the Z-machine. To achieve this objective a suite of optimization algorithms were implemented in the ROL library part of the Trilinos framework. These methods were applied to standalone demonstration problems and the Drekar multi-physics research application. Out of this exploration a new augmented Lagrangian approach to structural design problems was developed. We demonstrate that this approach has favorable mesh-independent performance. Both the final design and the algorithmic performance were independent of the size of the mesh. In addition, topology optimization formulations for the design of conducting networks were developed and demonstrated. Of note, this formulation was used to develop a design for the inner magnetically insulated transmission line on the Z-machine. The resulting electromagnetic device is compared with theoretically postulated designs.

42 ENGINEERING↗

A Survey of Distributed Optimization and Control Algorithms for Electric Power Systems

Historically, centrally computed algorithms have been the primary means of power system optimization and control. With increasing penetrations of distributed energy resources requiring optimization and control of power systems with many controllable devices, distributed algorithms have been the subject of significant research interest. Here, this paper surveys the literature of distributed algorithms with applications to optimization and control of power systems. In particular, this paper reviews distributed algorithms for offline solution of optimal power flow (OPF) problems as well as online algorithms for real-time solution of OPF, optimal frequency control, optimal voltage control, and optimal wide-area control problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

AI-Batt (Autonomous Identification of Battery Life Models) [SWR 21-36]

Autonomous Identification of Battery Life Models (AI-Batt) AI-Batt is a MATLAB code base for developing lifetime models for batteries from accelerated aging data. The code base provides many functions for processing, visualizing, and modeling battery aging data, making the data processing, exploration, and modeling workflow substantially faster. These tools are tailored for working with battery aging data sets, which usually consist of many separate time-series for each cell, with many test conditions and possible replicates at each condition, which makes it difficult to simply process or visualize the data set. Complex modeling tasks, such as cross-validation, sensitivity analysis, and uncertainty quantification have been implemented to enable thorough statistical investigation of model predictions. Additionally, several machine-learning algorithms are implemented to autonomously identify suitable models via symbolic regression. Data processing functions automatically cast data from the struct data type, which is commonly used to store experimental data, but is not an acceptable input for most algorithms, to the table data type, which can be easily used as input to any optimization algorithm. Also, the data can be separated into time-invariant and time-variant data tables, which is helpful for exploring the data set as well as developing separate models for time-variant and time-invariant aging mechanisms. For example, in aging tests with constant temperature, temperature is a time-invariant experimental condition. Visualization tools enable plotting of data, model fits, and model simulations possible with single-line function calls, empowering data exploration of complex data sets with both time-varying and time-invariant trends. Plots can be automatically generated for the whole data set, or separated by data group (groups of test replicates) or individual data series. Data points or data series can be automatically colored by the value of a variable with a variety of color maps, and model predictions can also be colored by the value of a fit statistic. Comparisons between data sets and the predictions/simulations of different models on the same data set can be easily plotted as well. Distributions of parameter values from bootstrap resampling can be plotted to visualize the reliability of parameter estimation, or determine any correlations between parameters. Modeling tools handle the complex task of creating and parsing symbolic equations for modeling battery lifetime. Equations are parsed to grab relevant data variables, parameter values, or specified sub-models for input into optimization, evaluation, or simulation functions. Models can be optimized locally (one set of parameters for each data series), bi-level (some parameters shared across the data set), or globally (single set of parameters for all data). Functions implementing symbolic regression algorithms help users to discover effective model equations, even in poorly sampled, high-dimensional data.

Smith, Kandler↗

Magnetostatic focal spot correction for x-ray tubes operating in strong magnetic fields using iterative optimization

Purpose: Combining x-ray fluoroscopy and MR imaging systems for guidance of interventional procedures has become more commonplace. By designing an x-ray tube that is immune to the magnetic fields outside of the MR bore, the two systems can be placed in close proximity to each other. A major obstacle to robust x-ray tube design is correcting for the effects of the magnetic fields on the x-ray tube focal spot. A potential solution is to design active shielding that locally cancels the magnetic fields near the focal spot. Methods: An iterative optimization algorithm is implemented to design resistive active shielding coils that will be placed outside the x-ray tube insert. The optimization procedure attempts to minimize the power consumption of the shielding coils while satisfying magnetic field homogeneity constraints. The algorithm is composed of a linear programming step and a nonlinear programming step that are interleaved with each other. The coil results are verified using a finite element space charge simulation of the electron beam inside the x-ray tube. To alleviate heating concerns an optimized coil solution is derived that includes a neodymium permanent magnet. Any demagnetization of the permanent magnet is calculated prior to solving for the optimized coils. The temperature dynamics of the coil solutions are calculated using a lumped parameter model, which is used to estimate operation times of the coils before temperature failure. Results: For a magnetic field strength of 88 mT, the algorithm solves for coils that consume 588 A/cm{sup 2}. This specific coil geometry can operate for 15 min continuously before reaching temperature failure. By including a neodymium magnet in the design the current density drops to 337 A/cm{sup 2}, which increases the operation time to 59 min. Space charge simulations verify that the coil designs are effective, but for oblique x-ray tube geometries there is still distortion of the focal spot shape along with deflections of approximately 3 mm in the radial and circumferential directions on the anode. Conclusions: Active shielding is an attractive solution for correcting the effects of magnetic fields on the x-ray focal spot. If extremely long fluoroscopic exposure times are required, longer operation times can be achieved by including a permanent magnet with the active shielding design.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Define baseline levels of segments per beam for intensity-modulated radiation therapy delivery for brain, head and neck, thoracic, abdominal, and prostate applications

The purpose of this study was to evaluate the number of segments per beam for intensity-modulated radiation therapy (IMRT) treatments and its effects on the plan quality, treatment delivery time, machine quality assurance, and machine maintenance. We have retrospectively analyzed 24 patients treated with IMRT. Five were selected within each of the following regions: head and neck, thoracic, abdomen, and prostate. Four patients were optimized within the brain region. The clinically treated plans were re-optimized using Philips Pinnacle3 v. 8 with the direct machine parameter optimization algorithm. The number of segments per beam from the treated plan was systematically reduced by 80%, 60%, 40%, and 30%, and the following statistics have been analyzed for plan quality: target min, mean, and max doses; critical structure doses; and integral dose. We have attempted to define the smallest number of segments per beam for IMRT treatment plans. Results indicate that IMRT plans can be delivered with acceptable quality with approximately 3-6 segments per beam for the anatomical regions analyzed. A reduction in the number of segments decreases treatment delivery time, reduces machine wear and tear, and minimizes the amount of time the patient is on the treatment table, which in turn reduces the chances of intrafractional uncertainties.

61 RADIATION PROTECTION AND DOSIMETRY↗

Numerical optimization of a low emittance lattice cell

In the lattice designs for the next generation storage ring light sources, longitudinal gradient bending magnets and anti-bending magnets have been adopted. A logical question raised by the trend of varying the longitudinal distribution of dipole strength is: what are the optimal distributions of the dipole and quadrupole fields in a lattice cell for the purpose of minimizing the natural emittance? We studied this problem by numerically optimizing the dipole and quadrupole distributions of the normalized cell optics using the particle swarm optimization algorithm. Furthermore the results reveal the features of the longitudinal field variation of the optimized cell and show that when the quadrupole gradient is increased enough, the cell tends to split into two identical cells with similar features.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Observation Targeting for the Tehachapi Pass and Mid-Columbia Basin: WindSENSE Phase III Project Summary Report

The overall goal of this multi-phased research project known as WindSENSE is to develop an observation system deployment strategy that would improve wind power generation forecasts. The objective of the deployment strategy is to produce the maximum benefit for 1- to 6-hour ahead forecasts of wind speed at hub-height (~80 m). In Phase III of the project, the focus was on the Mid-Columbia Basin region which encompasses the Bonneville Power Administration (BPA) wind generation area shown in Figure 1 that includes Klondike, Stateline, and Hopkins Ridge wind plants. The typical hub height of a wind turbine is approximately 80-m above ground level (AGL). So it would seem that building meteorological towers in the region upwind of a wind generation facility would provide data necessary to improve the short-term forecasts for the 80-m AGL wind speed. However, this additional meteorological information typically does not significantly improve the accuracy of the 0- to 6-hour ahead wind power forecasts because processes controlling wind variability change from day-to-day and, at times, from hour-to-hour. It is also important to note that some processes causing significant changes in wind power production function principally in the vertical direction. These processes will not be detected by meteorological towers at off-site locations. For these reasons, it is quite challenging to determine the best type of sensors and deployment locations. To address the measurement deployment problem, Ensemble Sensitivity Analysis (ESA) was applied in the Phase I portion of the WindSENSE project. The ESA approach was initially designed to produce spatial fields that depict the sensitivity of a forecast metric to a set of prior state variables selected by the user. The best combination of variables and locations to improve the forecast was determined using the Multiple Observation Optimization Algorithm (MOOA) developed in Phase I. In Zack et al. (2010a), the ESA-MOOA approach was applied and evaluated for the wind plants in the Tehachapi Pass region for a period during the warm season. That research demonstrated that forecast sensitivity derived from the dataset was characterized by well-defined, localized patterns for a number of state variables such as the 80-m wind and the 25-m to 1-km temperature difference prior to the forecast time. The sensitivity patterns produced as part of the Tehachapi Pass study were coherent and consistent with the basic physical processes that drive wind patterns in the Tehachapi area. In Phase II of the WindSENSE project, the ESA-MOOA approach was extended and applied to the wind plants located in the Mid-Columbia Basin wind generation area of Washington-Oregon during the summer and to the Tehachapi Pass region during the winter. The objective of this study was to identify measurement locations and variables that have the greatest positive impact on the accuracy of wind forecasts in the 0- to 6-hour look-ahead periods for the two regions and to establish a higher level of confidence in ESA-MOOA for mesoscale applications. The detailed methodology and results are provided in separate technical reports listed in the publications section below. Ideally, the data assimilation scheme used in the Phase III experiments would have been based upon an ensemble Kalman filter (EnKF) that was similar to the ESA method used to diagnose the Mid-Columbia Basin sensitivity patterns in the previous studies. However, running an EnKF system at high resolution is impractical because of the very high computational cost. Thus, it was decided to use a three-dimensional variational (3DVAR) analysis scheme that is less computationally intensive. The objective of this task is to develop an observation system deployment strategy for the mid Columbia Basin (i.e. the BPA wind generation region) that is designed to produce the maximum benefit for 1- to 6-hour ahead forecasts of hub-height (~80 m) wind speed with a focus on periods of large changes in wind speed. There are two tasks in the current project effort designed to validate the ESA observational system deployment approach in order to move closer to the overall goal: (1) Perform an Observing System Experiment (OSE) using a data denial approach. (2) Conduct a set of Observing System Simulation Experiments (OSSE) for the Mid-Columbia basin region.

17 WIND ENERGY↗

Optimization-based design of control systems for flexible structures

The purpose of this presentation is to show that it is possible to use nonsmooth optimization algorithms to design both closed-loop finite dimensional compensators and open-loop optimal controls for flexible structures modeled by partial differential equations. An important feature of our approach is that it does not require modal decomposition and hence is immune to instabilities caused by spillover effects. Furthermore, it can be used to design control systems for structures that are modeled by mixed systems of coupled ordinary and partial differential equations.

Polak, E.↗

A Rigorous Framework for Optimization of Expensive Functions by Surrogates

The goal of the research reported here is to develop rigorous optimization algorithms to apply to some engineering design problems for which design application of traditional optimization approaches is not practical. This paper presents and analyzes a framework for generating a sequence of approximations to the objective function and managing the use of these approximations as surrogates for optimization. The result is to obtain convergence to a minimizer of an expensive objective function subject to simple constraints. The approach is widely applicable because it does not require, or even explicitly approximate, derivatives of the objective. Numerical results are presented for a 31-variable helicopter rotor blade design example and for a standard optimization test example.

Booker, Andrew J.↗

Validation of an Impedance Education Method in Flow

This paper reports results of a research effort to validate a method for educing the normal incidence impedance of a locally reacting liner, located in a grazing incidence, nonprogressive acoustic wave environment with flow. The results presented in this paper test the ability of the method to reproduce the measured normal incidence impedance of a solid steel plate and two soft test liners in a uniform flow. The test liners are known to be locally react- ing and exhibit no measurable amplitude-dependent impedance nonlinearities or flow effects. Baseline impedance spectra for these liners were therefore established from measurements in a conventional normal incidence impedance tube. A key feature of the method is the expansion of the unknown impedance function as a piecewise continuous polynomial with undetermined coefficients. Stewart's adaptation of the Davidon-Fletcher-Powell optimization algorithm is used to educe the normal incidence impedance at each Mach number by optimizing an objective function. The method is shown to reproduce the measured normal incidence impedance spectrum for each of the test liners, thus validating its usefulness for determining the normal incidence impedance of test liners for a broad range of source frequencies and flow Mach numbers. Nomenclature

Watson, Willie R.↗

DEVELOPMENT AND APPLICATION OF RISK ANALYSIS TOOLKIT FOR PLANT RESOURCE OPTIMIZATION

This paper presents the development of methods and tools that are being designed to optimize plant operations (e.g., maintenance/replacement schedules and optimal maintenance postures for plant components) in a manner that is more cost effective than current approaches and makes better use of available component health and cost data. These methods include both data- and model-based optimization methods. Model-based optimization methods directly include reliability and cost models to determine an optimal plant operational strategy. We consider gradient-based and evolutionary (based on genetic algorithms) optimization methods. The second class of methods target more specific use cases (e.g., project schedule optimization) and are not based on reliability models directly, but they require specific component reliability and cost data. This class of methods is based on variants of the knapsack problem with an aim to determine an optimal project schedule that maximizes the overall NPV. This paper also presents multi-objective methods designed to identify an optimal maintenance posture based on a Pareto frontier analysis. Rather than dictating the “right” tradeoff (i.e., identify the absolute best posture), we show how it is possible to perform a trade space exploration approach (i.e., identify value and costs of several postures and let the analysis account for desired value and cost metrics). This is performed by identifying maintenance postures that maximize value (e.g., system availability) and minimize operational costs, i.e., the Pareto frontier in a value-cost trade space. For all these methods we present detailed applicative examples that show their validity from a decision-making perspective.

97 - MATHEMATICS AND COMPUTING↗

Primal and dual formulations of sequential gradient-restoration algorithms for trajectory optimization problems

One of the most effective first-order algorithms for solving trajectory optimization problems is the sequential gradient-restoration algorithm (SGRA). Originally developed in the primal formulation, this algorithm is extended to incorporate a dual formulation. Both the primal formulation and the dual formulation involve a sequence of two-phase cycles, each cycle including a gradient phase and a restoration phase. In turn, each iteration of the gradient phase and the restoration phase requires the solution of an auxiliary minimization problem (AMP). In the primal formulation, the AMP is solved with respect to the variations of the state, the control, and the parameter. In the dual formulation, the AMP is solved with respect to the Lagrange multipliers. A characteristic of the dual formulation is that the AMPs associated with the gradient phase and the restoration phase of SGRA can be reduced to mathematical programming problems involving a finite number of parameters as unknowns. A comparison of the primal formulation and the dual formulation is presented. The comparison is done in terms of several trajectory optimization problems having current aerospace interest.

Miele, A.↗

ExaSGD: 2022 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-407 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY22 the main objective of the Kernel Thrust was (i) provide sparse optimization solver that runs efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations, (ii) strengthen the reliability and increase the performance of the mixed-dense sparse (MDS) solver of HiOp for deployment on the FY22 target architectures, Summit and Crusher, and (iii) increase performance by improving the mathematical algorithm and refining the parallel MPI-based implementation of the coarse-grain parallel solver HiOp-PriDec for capabilities deployment on the FY22 target architectures, Summit and Crusher. This document presents the developments and contributions done by the Kernels Thrust Team in FY22 toward completion of the above-mentioned objectives. These contributions progressed along four main development (sub)thrusts: (1) Design and implementation of a sparse optimization solver for use on hardware accelerators; (2) Improvement of the mathematical algorithm and of the parallel implementation of HiOp-PriDec to ensure readiness and efficient coarse-grain parallelism for FY23 target exascale machine; and (3) Support Software and Application Development Thrusts of the exaSGD project in their deployment of the project’s software stack on AMD- and NVIDIA-based architectures. The development of the sparse optimization solver (thrust 1 above) was new in FY22 and resulted in a new sparse solver in HiOp (available as of version 0.6). The second development thrust was a continuation of the efforts from FY21 and improved the mathematical algorithm and the communication strategy of the HiOp-PriDec solver. The last developement thrust is a large collaborative effort. Namely, the project’s teams from multiple labs (LLNL, PNNL, ORNL, and NREL) performed large-scale demonstration of the ExaSGD software stack, namely the optimization solvers of HiOp interfaced with the modeling front-end ExaGO and the stochastic sampler PowerScenarios. These demonstration efforts solved large-scale instances of the SC-ACOPF challenge problem of medium network sizes (10, 000-bus system) and large number of contingencies on Summit (NVIDIA accelerators) and Crusher (AMD accelerators) systems at ORNL.

97 MATHEMATICS AND COMPUTING↗

Grover-QAOA for 3-SAT: quadratic speedup, fair-sampling, and parameter clustering

Abstract The SAT problem is a prototypical NP-complete problem of fundamental importance in computational complexity theory with many applications in science and engineering; as such, it has long served as an essential benchmark for classical and quantum algorithms. This study shows numerical evidence for a quadratic speedup of the Grover Quantum Approximate Optimization Algorithm (G-QAOA) over random sampling for finding all solutions to 3-SAT (All-SAT) and Max-SAT problems. G-QAOA is less resource-intensive and more adaptable for these problems than Grover’s algorithm, and it surpasses conventional QAOA in its ability to sample all solutions. We show these benefits by classical simulations of many-round G-QAOA on thousands of random 3-SAT instances. We also observe G-QAOA advantages on the IonQ Aria quantum computer for small instances, finding that current hardware suffices to determine and sample all solutions. Interestingly, a single-angle-pair constraint that uses the same pair of angles at each G-QAOA round greatly reduces the classical computational overhead of optimizing the G-QAOA angles while preserving its quadratic speedup. We also find parameter clustering of the angles. The single-angle-pair protocol and parameter clustering significantly reduce obstacles to classical optimization of the G-QAOA angles.

Zhang, Zewen (ORCID:000000032258613X)↗