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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Testing of Strategies for the Acceleration of the Cost Optimization

The general problem addressed in the Nuclear-Renewable Hybrid Energy System (N-R HES) project is finding the optimum economical dispatch (ED) and capacity planning solutions for the hybrid energy systems. In the present test-problem configuration, the N-R HES unit is composed of three electrical power-generating components, i.e. the Balance of Plant (BOP), the Secondary Energy Source (SES), and the Energy Storage (ES). In addition, there is an Industrial Process (IP), which is devoted to hydrogen generation. At this preliminary stage, the goal is to find the power outputs of each one of the N-R HES unit components (BOP, SES, ES) and the IP hydrogen production level that maximizes the unit profit by simultaneously satisfying individual component operational constraints. The optimization problem is meant to be solved in the Risk Analysis Virtual Environment (RAVEN) framework. The dynamic response of the N-R HES unit components is simulated by using dedicated object-oriented models written in the Modelica modeling language. Though this code coupling provides for very accurate predictions, the ensuing optimization problem is characterized by a very large number of solution variables. To ease the computational burden and to improve the path to a converged solution, a method to better estimate the initial guess for the optimization problem solution was developed. The proposed approach led to the definition of a suitable Monte Carlo-based optimization algorithm (called the preconditioner), which provides an initial guess for the optimal N-R HES power dispatch and the optimal installed capacity for each one of the unit components. The preconditioner samples a set of stochastic power scenarios for each one of the N-R HES unit components, and then for each of them the corresponding value of a suitably defined cost function is evaluated. After having simulated a sufficient number of power histories, the configuration which ensures the highest profit is selected as the optimal one. The component physical dynamics are represented through suitable ramp constraints, which considerably simplify the numerical solving. In order to test the capabilities of the proposed approach, in the present report, the dispatch problem only is tackled, i.e. a reference unit configuration is assumed, and each one of the N-R HES unit components is assumed to have a fixed installed capacity. As for the next steps, the main improvement will concern the operation strategy of the ES facility. In particular, in order to describe a more realistic battery commitment strategy, the ES operation will be regulated according to the electricity price forecasts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Mass Optimization of Power System for Space Applications

A Brayton cycle coupled to a direct cooled nuclear reactor is being designed and optimized for a space surface power application. Robust models for the various Brayton cycle components were developed and integrated. Separately, a nuclear reactor model which provides an optimized reactor mass for given flow conditions was developed. Then mass correlations for the size of the recuperative heat exchanger and radiator panel, along with the reactor mass model, were integrated with the cycle model, and an optimization algorithm was developed to find the least massive power system. The optimization routine is being used to explore the effects of turbine inlet temperature, cycle pressures, and other various cycle parameters on the full system mass.

Sondelski, Becky↗
DOE OSTI2020

Microwave Cavity Simulation Using Ansys HFSS

The design of microwave cavity detectors for axion dark matter research is often accomplished using advanced full-wave electromagnetic simulation software tools. These tools provide a cost-effective approach to evaluate a wide variety of cavity configurations, frequency tuning mechanisms, and conductive or dielectric materials and coatings. One simulation software package used for this application is Ansys High Frequency Structure Simulator (HFSS), which is based upon the well-established finite element method. HFSS includes numerous features useful for microwave cavity design such as parametric geometry modeling, adaptive meshing algorithm, curvilinear mesh elements, driven modal and eigenmode matrix solvers, and optimization algorithms. This paper describes the use of the HFSS software to simulate microwave cavities for axion haloscope detectors, with an example tutorial for a cylindrical cavity. Excellent agreement between the simulated and analytical results is shown for the resonant frequency, quality factor, and form factor.

Ansys HFSS, Cavity simulation, finite element mode↗
DOE OSTI2024

Distributionally Robust Variational Quantum Algorithms With Shifted Noise

Given their potential to demonstrate near-term quantum advantage, variational quantum algorithms (VQAs) have been extensively studied. Although numerous techniques have been developed for VQA parameter optimization, it remains a significant challenge. A practical issue is the high sensitivity of quantum noise to environmental changes, and its propensity to shift in real time. This presents a critical problem as an optimized VQA ansatz may not perform effectively under a different noise environment. For the first time, we explore how to optimize VQA parameters to be robust against unknown shifted noise. We model the noise level as a random variable with an unknown probability density function (PDF), and we assume that the PDF may shift within an uncertainty set. This assumption guides us to formulate a distributionally robust optimization problem, with the goal of finding parameters that maintain effectiveness under shifted noise. We utilize a distributionally robust Bayesian optimization solver for our proposed formulation. This provides numerical evidence in both the Quantum Approximate Optimization Algorithm (QAOA) and the Variational Quantum Eigensolver (VQE) with hardware-efficient ansatz, indicating that we can identify parameters that perform more robustly under shifted noise. We regard this work as the first step towards improving the reliability of VQAs influenced by real-time noise.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Bootstrap performance profiles in stochastic algorithms assessment

Optimization with stochastic algorithms has become a relevant research field. Due to its stochastic nature, its assessment is not straightforward and involves integrating accuracy and precision. Performance profiles for the mean do not show the trade-off between accuracy and precision, and parametric stochastic profiles require strong distributional assumptions and are limited to the mean performance for a large number of runs. In this work, bootstrap performance profiles are used to compare stochastic algorithms for different statistics. This technique allows the estimation of the sampling distribution of almost any statistic even with small samples. Multiple comparison profiles are presented for more than two algorithms. The advantages and drawbacks of each assessment methodology are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Solving a system of linear equations: From centralized to distributed methods

For a wide range of control engineering applications, the problem of solving a system of linear equations is often encountered and has been well studied. Traditionally, this problem has been mainly solved in a centralized manner. However, for applications related to large-scale complex networked systems, centralized algorithms are often subjected to some practical issues due to limited computational power and communication bandwidth. As a promising and viable alternative, distributed algorithms can effectively address the issues associated with centralized algorithms by solving the problem efficiently in a multi-agent setting that accords with the distributed nature of networked systems. Distributed algorithms decompose the entire problem into many sub-problems that are solved by individual agents in a cooperative manner. In this survey paper, we provide a detailed overview of the state of the art relevant to distributed algorithms for solving a system of linear equations. We will first review basic distributed algorithms including both discrete-time and continuous-time algorithms. Then we will discuss the extended algorithms to achieve communication efficiency. Furthermore, we will also introduce distributed algorithms to obtain the minimum-norm solution for a system of linear equations with multiple solutions, as well as the least-squares solutions when there is no solution. Finally, the relationship of distributed algorithms for solving a system of linear equations to the existing distributed optimization algorithms is discussed.

Wang, Peng↗
DOE OSTI2024

Optimal environmental and economic performance trade-offs for fifth generation district heating and cooling network topologies with waste heat recovery

Network topology greatly influences both the economic and environmental performance of fifth generation district heating and cooling (5GDHC) systems. In this study the optimal trade-offs between the environmental and economic performance of 5GDHC network topologies for a five-building district with waste heat recovery were explored. A life cycle assessment method was used to calculate the total life cycle CO 2 emissions (LCCO2) associated with the installation and operation of various network topologies. Twelve months of empirical data from a data center cooling system were analyzed to assess its suitability for integration into a 5GDHC system. The most suitable method for utilizing this waste heat was selected based on the ambient loop warm pipe setpoint, waste heat temperature, and district energy system configuration. A multi-objective optimization algorithm was used to select the 5GDHC network topology that provided the optimal trade-off between LCCO2 and life cycle cost (LCC). A trade-off parameter was employed to weigh the importance of each objective in the selection process. The results showed waste heat from the data center was suitable for integration into the 5GDHC system due to its availability and consistent temperature profile. When return temperatures of 25 °C or higher were available from the liquid-cooled system, direct pre-heating of the ambient loop warm pipe was found to be the most effective waste heat integration method. The selection of the network topology that provided the optimal trade-off between LCCO2 and LCC (optimal trade-off topology) was highly dependent on factors such as fuel prices, CO 2 prices, electricity CO 2 emissions factors, availability of waste heat, embodied CO 2 emissions associated with network installation and network infrastructure costs. Optimal trade-off topologies produced substantial LCCO2 reductions relative to corresponding LCC increases. LCCO2 reduction to LCC increase ratios from 5.78 to 117.79 were identified with CO 2 offset costs ranging from 4.77 to 60.08 ($/tCO 2 e).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

SU-F-E-09: Respiratory Signal Prediction Based On Multi-Layer Perceptron Neural Network Using Adjustable Training Samples

Purpose: Dynamic tracking of moving organs, such as lung and liver tumors, under radiation therapy requires prediction of organ motions prior to delivery. The shift of moving organ may change a lot due to huge transform of respiration at different periods. This study aims to reduce the influence of that changes using adjustable training signals and multi-layer perceptron neural network (ASMLP). Methods: Respiratory signals obtained using a Real-time Position Management(RPM) device were used for this study. The ASMLP uses two multi-layer perceptron neural networks(MLPs) to infer respiration position alternately and the training sample will be updated with time. Firstly, a Savitzky-Golay finite impulse response smoothing filter was established to smooth the respiratory signal. Secondly, two same MLPs were developed to estimate respiratory position from its previous positions separately. Weights and thresholds were updated to minimize network errors according to Leverberg-Marquart optimization algorithm through backward propagation method. Finally, MLP 1 was used to predict 120∼150s respiration position using 0∼120s training signals. At the same time, MLP 2 was trained using 30∼150s training signals. Then MLP is used to predict 150∼180s training signals according to 30∼150s training signals. The respiration position is predicted as this way until it was finished. Results: In this experiment, the two methods were used to predict 2.5 minute respiratory signals. For predicting 1s ahead of response time, correlation coefficient was improved from 0.8250(MLP method) to 0.8856(ASMLP method). Besides, a 30% improvement of mean absolute error between MLP(0.1798 on average) and ASMLP(0.1267 on average) was achieved. For predicting 2s ahead of response time, correlation coefficient was improved from 0.61415 to 0.7098.Mean absolute error of MLP method(0.3111 on average) was reduced by 35% using ASMLP method(0.2020 on average). Conclusion: The preliminary results demonstrate that the ASMLP respiratory prediction method is more accurate than MLP method and can improve the respiration forecast accuracy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A set of test problems for nonlinear optimization

The software is a set of test problems for nonlinear optimization algorithms, including subroutines such as linear algebra routines and automatic differentiation algorithms. The test problems come from chemical engineering open literature, and describe optimization tasks related to the design and operation of processes such as carbon capture, Hydrogen production, heat exchange, and distillation.

Parker, Robert↗
DOE OSTI2019

Learning Interactions in Complex Biological Systems

In this project, we developed novel methods for integrating simulation and data-driven methods to accelerate biomedical discovery. In particular, we exploit agent-based models of disease processes and deep reinforcement learning to identify potential novel multi-drug, patient-specific, and adaptive therapeutic strategies. We use the Innate Immune Response agent-based model (IIRABM) to model sepsis as a demonstration of our approach. We first calibrate the agent-based model using novel stochastic optimization algorithms develop in this project, then use the calibrated model to identify optimal cytokine mediation strategies using deep reinforcement learning (DRL). The learned policy achieves a dramatic reduction in mortality over a set of 500 simulated patients relative to standalone antibiotic therapy. Advantages of our approach are three-fold: 1) the use of simulation allows exploring therapeutic strategies beyond clinical practice and available data, 2) advances in DRL accommodate learning complex therapeutic strategies for complex biological systems, and 3) optimized treatments respond to a patient’s individual disease progression over time, therefore capturing both differences across patients and the inherent randomness of disease progression within a single patient. We hope that this work motivates both considering adaptive, personalized multi-cytokine mediation therapy for sepsis and exploiting simulation with DRL for precision medicine more broadly.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Optimization Methods for Large-Scale Machine Learning

Here this paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Topology-aware task-assIGnment mappER (TIGER) v0.1

The general topology-aware task assignment problem is an NP-complete graph isomorphism problem. Existing task scheduling approaches are either heuristic or based on physical optimization algorithms, providing different speed and solution quality trade-offs. Physical Ising machines such as quantum and digital annealers have recently become available offering an alternative hardware solution to solve certain types of optimization problems. We propose an algorithm that allows expressing the problem in the compatible format. We present a domain specific partition strategy that enables to execute larger scale problems. TIGER - topology-aware task assignment mapper tool - implements the proposed algorithm and automatically integrates task- communication graph and an architecture graph into the quantum software environment.

Donofrio, David↗
DOE OSTI2020

An Efficient Numerical Algorithm for Solving Data Driven Feedback Control Problems

The goal of this paper is to solve a class of stochastic optimal control problems numerically, in which the state process is governed by an Itô type stochastic differential equation with control process entering both in the drift and the diffusion, and is observed partially. The optimal control of feedback form is determined based on the available observational data. In this work, we call this type of control problems the data driven feedback control. The computational framework that we introduce to solve such type of problems aims to find the best estimate for the optimal control as a conditional expectation given the observational information. To make our method feasible in providing timely feedback to the controlled system from data, we develop an efficient stochastic optimization algorithm to implement our computational framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Dynamically Learning Incentives for Load Control

As electrical generation becomes more distributed and volatile, and loads become more uncertain, controllability of distributed energy resources (DERs), regardless of their ownership status, will be necessary for grid reliability. Grid operators lack direct control over end-users' grid interactions, such as energy usage, but incentives can influence behavior -- for example, an end-user that receives a grid-driven incentive may adjust their consumption or expose relevant control variables in response. A key challenge in studying such incentives is the lack of data about human behavior, which usually motivates strong assumptions, such as distributional assumptions on compliance or rational utility-maximization. In this paper, we propose a general incentive mechanism in the form of a constrained optimization problem -- our approach is distinguished from prior work by modeling human behavior (e.g., reactions to an incentive) as an arbitrary unknown function. We propose feedback-based optimization algorithms to solve this problem that each leverage different amounts of information and/or measurements. We show that each converges to an asymptotically stable incentive with (near)-optimality guarantees given mild assumptions on the problem. Finally, we evaluate our proposed techniques in voltage regulation simulations on standard test beds. We test a variety of settings, including those that break assumptions required for theoretical convergence (e.g., convexity, smoothness) to capture realistic settings. In this evaluation, our proposed algorithms are able to find near-optimal incentives even when the reaction to an incentive is modeled by a theoretically difficult (yet realistic) function.

demand response↗
DOE OSTI2021

Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms

Rapidly changing computer architectures, such as those found at high-performance computing (HPC) facilities, present the need for mini-applications (miniapps) that capture essential algorithms used in large applications to test program performance and portability, aiding transitions to new systems. The COVID-19 pandemic has fueled a flurry of activity in computational drug discovery, including the use of supercomputers and GPU acceleration for massive virtual screens for therapeutics. Recent work targeting COVID-19 at the Oak Ridge Leadership Computing Facility (OLCF) used the GPU-accelerated program AutoDock-GPU to screen billions of compounds on the Summit supercomputer. In this paper we present the development of a new miniapp, miniAutoDock-GPU, that can be used to evaluate the performance and portability of GPU-accelerated protein-ligand docking programs on different computer architectures. These tests are especially relevant as facilities transition from petascale systems and prepare for upcoming exascale systems that will use a variety of GPU vendors. The key calculations, namely, the Lamarckian genetic algorithm combined with a local search using a Solis-Wets based random optimization algorithm, are implemented. We developed versions of the miniapp using several different programming models for GPU acceleration, including a version using the CUDA runtime API for NVIDIA GPUs, and the Kokkos middle-ware API which is facilitated by C++ template libraries. A third version, currently in progress, uses the HIP programming model. These efforts will help facilitate the transition to exascale systems for this important emerging HPC application, as well as its use on a wide range of heterogeneous platforms.

Thavappiragasam, Mathialakan↗
DOE OSTI2017

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↗
DOE OSTI2018

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.↗
DOE OSTI2019

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↗