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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 649 records · Page 36

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DOE OSTI2016

glmnetLRC f/k/a lrc package: Logistic Regression Classification

Methods for fitting and predicting logistic regression classifiers (LRC) with an arbitrary loss function using elastic net or best subsets. This package adds additional model fitting features to the existing glmnet and bestglm R packages. This package was created to perform the analyses described in Amidan BG, Orton DJ, LaMarche BL, et al. 2014. Signatures for Mass Spectrometry Data Quality. Journal of Proteome Research. 13(4), 2215-2222. It makes the model fitting available in the glmnet and bestglm packages more general by identifying optimal model parameters via cross validation with an customizable loss function. It also identifies the optimal threshold for binary classification.

Source record↗

DOE OSTI2016

glmnetLRC f/k/a lrc package: Logistic Regression Classification

Source record↗

DOE OSTI2022

Rolling Optimization of Transmission Network Recovery and Load Restoration Considering Hybrid Wind-Storage System and Cold Load Pickup

A common solution to deal with the stochasticity introduced by fast-ramping wind power integration is to equip wind farms (WFs) with energy storage systems (ESSs) to formulate hybrid WF-ESSs. In addition to leveling off wind power fluctuations during normal operations, a hybrid WF-ESS can be a flexible power source to accumulate the power system restoration. In this paper, we propose a rolling optimization model for transmission network recovery and load restoration considering the contributions of WF-ESSs. The proposed model is formulated as a mixed integer linear programming problem that simultaneously optimizes the amount and location of restorable load blocks as well as the restoration lines. The cold load pickup features of interrupted loads considering the outage duration are modeled in detail. A chance-constrained method is employed to deal with the uncertainty of wind power, and a rolling horizon-based framework is adopted to reduce the influence of forecast error. Case studies are conducted on both New England 39-bus system and part of a provincial power system in China. The results show that the load restoration process can be significantly accelerated by employing the proposed method and contributions of hybrid WF-ESSs to power system restoration are validated.

chance-constrained optimization↗

DOE OSTI2013

ARRA: Reconfiguring Power Systems to Minimize Cascading Failures - Models and Algorithms

Building on models of electrical power systems, and on powerful mathematical techniques including optimization, model predictive control, and simluation, this project investigated important issues related to the stable operation of power grids. A topic of particular focus was cascading failures of the power grid: simulation, quantification, mitigation, and control. We also analyzed the vulnerability of networks to component failures, and the design of networks that are responsive to and robust to such failures. Numerous other related topics were investigated, including energy hubs and cascading stall of induction machines

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Dynamic Asset Allocation with Expected Shortfall via Quantum Annealing

Recent advances in quantum hardware offer new approaches to solve various optimization problems that can be computationally expensive when classical algorithms are employed. We propose a hybrid quantum-classical algorithm to solve a dynamic asset allocation problem where a target return and a target risk metric (expected shortfall) are specified. We propose an iterative algorithm that treats the target return as a constraint in a Markowitz portfolio optimization model, and dynamically adjusts the target return to satisfy the targeted expected shortfall. The Markowitz optimization is formulated as a Quadratic Unconstrained Binary Optimization (QUBO) problem. The use of the expected shortfall risk metric enables the modeling of extreme market events. We compare the results from D-Wave’s 2000Q and Advantage quantum annealers using real-world financial data. Both quantum annealers are able to generate portfolios with more than 80% of the return of the classical optimal solutions, while satisfying the expected shortfall. We observe that experiments on assets with higher correlations tend to perform better, which may help to design practical quantum applications in the near term.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1984

The role of optimization in structural model refinement

To evaluate the role that optimization can play in structural model refinement, it is necessary to examine the existing environment for the structural design/structural modification process. The traditional approach to design, analysis, and modification is illustrated. Typically, a cyclical path is followed in evaluating and refining a structural system, with parallel paths existing between the real system and the analytical model of the system. The major failing of the existing approach is the rather weak link of communication between the cycle for the real system and the cycle for the analytical model. Only at the expense of much human effort can data sharing and comparative evaluation be enhanced for the two parallel cycles. Much of the difficulty can be traced to the lack of a user-friendly, rapidly reconfigurable engineering software environment for facilitating data and information exchange. Until this type of software environment becomes readily available to the majority of the engineering community, the role of optimization will not be able to reach its full potential and engineering productivity will continue to suffer. A key issue in current engineering design, analysis, and test is the definition and development of an integrated engineering software support capability. The data and solution flow for this type of integrated engineering analysis/refinement system is shown.

Lehman, L. L.↗

NASA NTRS1983

Modeling, Analysis, and Optimization Issues for Large Space Structures

Topics concerning the modeling, analysis, and optimization of large space structures are discussed including structure-control interaction, structural and structural dynamics modeling, thermal analysis, testing, and design.

Pinson, L. D.↗

DOE OSTI2017

Coordinated distribution network control of tap changer transformers, capacitors and PV inverters

A power distribution system operates most efficiently with voltage deviations along a feeder kept to a minimum and must ensure all voltages remain within specified limits. Recently with the increased integration of photovoltaics, the variable power output has led to increased voltage fluctuations and violation of operating limits. This study proposes an optimization model based on a recently developed heuristic search method, grey wolf optimization, to coordinate the various distribution controllers. Several different case studies on IEEE 33 and 69 bus test systems modified by including tap changing transformers, capacitors and photovoltaic solar panels are performed. Simulation results are compared to two other heuristic-based optimization methods: harmony search and differential evolution. Finally, the simulation results show the effectiveness of the method and indicate the usage of reactive power outputs of PVs facilitates better voltage magnitude profile.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Introduction to Special Section: Machine Learning for Image-based Geologic Interpretation

Image-based geological interpretation has been a labor-intensive and time-consuming process because it requires well-trained geoscientists to identify geological structures, features, and textures from various types of images. These images include scanning electron microscopic images, optical microscopic images, optical photos, resistivity images, seismic volumes, remote-sensing images, etc. With fast-evolving machine learning (ML) technology and computing power in recent decades, computers can achieve nearhuman-level to super-human-level performance with scalable high efficiency in the computer vision field. These technological revolutions facilitated image-based geological interpretation in petroleum exploration and production. For example, a fault picking method applied to 3-D seismic volume data using deep learning can achieve superior performance in comparison to conventional auto-picking methods. In addition, under the new normal of low oil prices, the petroleum industry seeks cost-effective strategies such as automating traditionally labor-intensive processes. Nevertheless, the potential of applying ML to geological image interpretation is still facing a few key challenges including data scarcity, data distribution, poor data and/or label quality, data leakage, learning algorithms, model architecture, training methodologies, testing and evaluation metrics, hyper-parameters optimization, model drift, production deployment, and the like.

58 GEOSCIENCES↗

DOE OSTI2015

Development of a groundwater transport simulation tool for remedial process optimization - 15316

The groundwater remedy for hexavalent chromium at the Hanford Site includes operation of five large pump-and-treat systems along the Columbia River. The systems at the 100-HR-3 and 100-KR-4 groundwater operable units treat a total of about 9,840 liters per minute (2,600 gallons per minute) of groundwater to remove hexavalent chromium, and cover an area of nearly 26 square kilometers (10 square miles). The pump-and-treat systems result in large scale manipulation of groundwater flow direction, velocities, and most importantly, the contaminant plumes. Tracking of the plumes and predicting needed system modifications is part of the remedial process optimization, and is a continual process with the goal of reducing costs and shortening the time frame to achieve the cleanup goals. While most of the initial system evaluations are conducted by assessing performance (e.g., reduction in contaminant concentration in groundwater and changes in inferred plume size), changes to the well field are often recommended. To determine the placement for new wells, well realignments, and modifications to pumping rates, it is important to be able to predict resultant plume changes. In smaller systems, it may be effective to make small scale changes periodically and adjust modifications based on groundwater monitoring results. Due to the expansive nature of the remediation systems at Hanford, however, additional tools were needed to predict the plume reactions to system changes. A computer simulation tool (the Pumping Optimization Model, or POM) was developed to support pumping rate recommendations for optimization of large pump-and-treat groundwater remedy systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Benefits of Dual Fuel Heat Pump Grid-responsive Control: A Model-based Control Optimization Approach Using Building and Equipment Co-simulation

Conventional dual fuel heat pumps lack the intelligent control mechanisms to efficiently manage the switch between heat pump and furnace, leading to sub-optimal energy usage and, in some cases, increased operating costs. To resolve this gap, this study applies optimized control on hybrid heat pumps. With a focus on equipment control strategies, we compare the performances of five spacing heating equipment, including a conventional heat pump (HP), a conventional furnace, a dual fuel heat pump (DFHP) with conventional control, a dual fuel heat pump with smart control, and a novel seamlessly fuel flexible heat pump (SFFHP). While DFHP runs on either gas or electricity at any given moment, SFFHP concurrently consumes gas and electricity by continuously optimizing the proportion of each. In this research, a co-simulation framework is developed by integrating a building envelope model with a physics-based heat pump simulation model to analyze the benefits of grid-responsive controls of DFHP and SFFHP. The model-based optimal controls adjust the operation of the heat pump and gas furnace based on utility price signals and marginal grid emission to minimize utility cost and CO 2 emissions for multiple climate zones, different utility tariffs, and marginal grid emission scenarios. Case studies in Chicago and Los Angeles demonstrate that SFFHP and DFHP, with model-based optimal control, can deliver significant reductions in peak demand, utility cost, and CO 2 emission. In Chicago, SFFHP and smart controlled DFHP yield up to 64.7% and 61.7% utility cost reduction and up to 15.7% and 8.5% CO 2 emission reduction compared to the gas furnace. In Los Angeles, SFFHP and smart controlled DFHP achieve up to 43.6% and 40.1% utility cost reduction and up to 13.8% and 14.1% CO2 emission reduction compared to conventional heat pumps. In conclusion, by leveraging the fuel flexibility nature of dual fuel heat pumps, the model-based control optimization approach makes dual fuel heat pump an attractive option for demand response programs.

Control↗

DOE OSTI2017

Modeling Stationary Lithium-Ion Batteries for Optimization and Predictive Control

Accurately modeling stationary battery storage behavior is crucial to understand and predict its limitations in demand-side management scenarios. In this paper, a lithium-ion battery model was derived to estimate lifetime and state-of-charge for building-integrated use cases. The proposed battery model aims to balance speed and accuracy when modeling battery behavior for real-time predictive control and optimization. In order to achieve these goals, a mixed modeling approach was taken, which incorporates regression fits to experimental data and an equivalent circuit to model battery behavior. A comparison of the proposed battery model output to actual data from the manufacturer validates the modeling approach taken in the paper. Additionally, a dynamic test case demonstrates the effects of using regression models to represent internal resistance and capacity fading.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Surrogate Model Selection for Design Space Approximation And Surrogatebased Optimization

Surrogate models are used to map input data to output data when the actual relationship between the two is unknown or computationally expensive to evaluate for sensitivity analysis, uncertainty propagation and surrogate based optimization. This work evaluates the performance of eight surrogate modeling techniques for design space approximation and surrogate based optimization applications over a set of generated datasets with known characteristics. With this work, we aim to provide general rules for selecting an appropriate surrogate model form solely based on the characteristics of the data being modeled. Furthermore, the computational experiments revealed that, in general, multivariate adaptive regression spline models (MARS) and single hidden layer feed forward neural networks (ANN) yielded the most accurate predictions over the design space while Random Forest (RF) models most reliably identified the locations of the optimums when used for surrogate-based optimization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Bayesian Optimization Framework for Imperfect Data or Models

Conventional Bayesian optimization methods implicitly assume that the data and model being optimized are “perfect.” This assumption leads to inaccurate posterior probability distribution functions (PDFs) when applied to “imperfect” data or models. The new Bayesian optimization framework presented in this report provides a way to parameterize the effect of imperfections usually encountered in a prior PDF of generalized data or a model on the posterior PDF. The effects of imperfections are parameterized by a set of constraints imposed on the posterior expectation values of deviations between the data and the model and on their covariance matrix elements. A particular set of values for these constraints conveys an evaluator’s best estimate of the effect of imperfections on the corresponding posterior expectation values. When a prior PDF of generalized data is assumed to be normal, an expression for a posterior PDF satisfying an arbitrary set of constraints is derived analytically for linear models. An analogous iterative algorithm is given for nonlinear models. The corresponding posterior PDF should be used to estimate any posterior expectation values in the presence of imperfections parameterized by that set of constraints. A posterior PDF of a conventional Bayesian optimization method is recovered analytically when all evaluator-specified constraints are set to zero (i.e., in the absence of any imperfections). The analytical expressions derived in this report for normal PDFs and linear models were verified numerically by a Metropolis–Hastings Monte Carlo method. The methods presented herein could be applied to any kind of data or models, including differential cross-section data or integral benchmark experiments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Minimizing total energy cost and tardiness penalty for a scheduling-layout problem in a flexible job shop system: A comparison of four metaheuristic algorithms

Job scheduling and machine layout are interrelated in improving energy consumption (EC) and productivity measures such as tardiness and represent two important decisions that must be made by manufacturers. This interdependency can be explained by transportation time, which connects scheduling and layout. Scheduling and layout, however, have not been thoroughly studied in conjunction using an integrated model in the context of sustainable manufacturing. Hence, we propose an energy-aware optimization model in which scheduling is integrated with layout in a single-level framework. More specifically, a single objective function is defined to minimize the facility energy cost and the job tardiness penalty, which control EC and tardiness respectively in a flexible job shop system. In order to model machine EC more accurately, we also consider three different machine states: a processing state and two idle states. Our case studies show that the integrated model exhibits better performance in controlling manufacturing EC and job tardiness than a non-integrated model in which machine locations are uncontrollable and transportation times between machines are unchangeable. To deal with large-sized problems, we also introduce four new metaheuristics. The performances of these new metaheuristics are compared in terms of objective function values and CPU times using various case studies. The results indicate that a hybrid ant colony optimization and simulated annealing (ACO-SA) algorithm provides better performance than the other algorithms. Specifically, our case studies show that the integrated model using ACO-SA can improve the objective function value by around 5% when compared to the non-integrated model.

42 ENGINEERING↗

DOE OSTI2016

Sequential experimental design based generalised ANOVA

Over the last decade, surrogate modelling technique has gained wide popularity in the field of uncertainty quantification, optimization, model exploration and sensitivity analysis. This approach relies on experimental design to generate training points and regression/interpolation for generating the surrogate. In this work, it is argued that conventional experimental design may render a surrogate model inefficient. In order to address this issue, this paper presents a novel distribution adaptive sequential experimental design (DA-SED). The proposed DA-SED has been coupled with a variant of generalised analysis of variance (G-ANOVA), developed by representing the component function using the generalised polynomial chaos expansion. Moreover, generalised analytical expressions for calculating the first two statistical moments of the response, which are utilized in predicting the probability of failure, have also been developed. The proposed approach has been utilized in predicting probability of failure of three structural mechanics problems. It is observed that the proposed approach yields accurate and computationally efficient estimate of the failure probability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Application of Bayesian Model Selection for Metal Yield Models using ALEGRA and Dakota

This report introduces the concepts of Bayesian model selection, which provides a systematic means of calibrating and selecting an optimal model to represent a phenomenon. This has many potential applications, including for comparing constitutive models. The ideas described herein are applied to a model selection problem between different yield models for hardened steel under extreme loading conditions.

97 MATHEMATICS AND COMPUTING↗