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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

LASSO for CALPHAD Model Selection Enables Data-Efficient Thermodynamic Modeling: An Application in Thermochemical Hydrogen Production Materials

Phenomenological CALPHAD (CALculation of PHAse Diagrams) models, widely used for multicomponent materials, often contain a considerable number of parameters and require fitting using data from a relatively small number of experimental measurements or theoretical calculations. Sometimes these parameters are introduced for the purpose of improving model fits but without clear physical justification, which leads to overparametrized models with poor generalization performance. Automated approaches for optimal model selection based on the available data therefore become critical. Here, in this work, a least absolute shrinkage and selection operator (LASSO)-based approach is developed for model selection by leveraging the linearity of the CALPHAD model with respect to its parameters to convert the model selection and fitting to a LASSO minimization problem. We demonstrate its utility for thermodynamic modeling of thermochemical hydrogen (TCH) production materials using lanthanum strontium manganite (LSM) as an example. Various TCH-relevant properties, including oxygen stoichiometry as a function of oxygen partial pressure, enthalpy of reduction, and entropy of reduction, are successfully predicted with reasonable accuracy using a minimal set of model parameters. Importantly, the model selection and fitting involve minimal human decision; it can therefore be applied to high-throughput DFT defect calculations and yield efficient workflows for TCH material modeling and optimization.

CALPHAD↗
NASA NTRS1995

Applications of decision analysis and related techniques to industrial engineering problems at KSC

This report provides: (1) a discussion of the origination of decision analysis problems (well-structured problems) from ill-structured problems; (2) a review of the various methodologies and software packages for decision analysis and related problem areas; (3) a discussion of how the characteristics of a decision analysis problem affect the choice of modeling methodologies, thus providing a guide as to when to choose a particular methodology; and (4) examples of applications of decision analysis to particular problems encountered by the IE Group at KSC. With respect to the specific applications at KSC, particular emphasis is placed on the use of the Demos software package (Lumina Decision Systems, 1993).

Evans, Gerald W.↗
DOE OSTI2025

A Digital Twin Framework Utilizing Machine Learning for Robust Predictive Maintenance: Enhancing Tire Health Monitoring

We introduce a novel digital twin (DT) framework for the predictive maintenance of long-term physical systems. Using monitoring tire health as an application, we show how the DT framework can be used to enhance automotive safety and efficiency, and how the technical challenges can be overcome using a three-step approach. First, to manage the data complexity over a long operation span, we employ data reduction techniques to concisely represent physical tires using historical performance and usage data. Relying on these data, for fast real-time prediction, we train a transformer-based model offline on our concise dataset to predict future tire health over time, represented as remaining casing potential (RCP). Based on our architecture, our model quantifies both epistemic and aleatoric uncertainties, providing reliable confidence intervals around predicted RCP. Second, to incorporate real-time data, we update the predictive model in the DT framework, ensuring its accuracy throughout its lifespan with the aid of hybrid modeling and the use of the discrepancy function. Third, to assist decision-making in predictive maintenance, we implement a tire state decision algorithm, which strategically determines the optimal timing for tire replacement based on RCP forecasted by our transformer model. This approach ensures that our DT accurately predicts system health, continually refines its digital representation, and supports predictive maintenance decisions. Furthermore, our framework effectively embodies a physical system, leveraging big data and machine learning (ML) for predictive maintenance, model updates, and decision-making.

advanced computing infrastructure↗
NASA NTRS1992

Fuzzy sets, rough sets, and modeling evidence: Theory and Application. A Dempster-Shafer based approach to compromise decision making with multiattributes applied to product selection

The Dempster-Shafer theory of evidence is applied to a multiattribute decision making problem whereby the decision maker (DM) must compromise with available alternatives, none of which exactly satisfies his ideal. The decision mechanism is constrained by the uncertainty inherent in the determination of the relative importance of each attribute element and the classification of existing alternatives. The classification of alternatives is addressed through expert evaluation of the degree to which each element is contained in each available alternative. The relative importance of each attribute element is determined through pairwise comparisons of the elements by the decision maker and implementation of a ratio scale quantification method. Then the 'belief' and 'plausibility' that an alternative will satisfy the decision maker's ideal are calculated and combined to rank order the available alternatives. Application to the problem of selecting computer software is given.

Dekorvin, Andre↗
NASA NTRSDate not supplied

Predictive Modeling to Assess and Address Challenges and Limitations Associated with Clinical Care and Decision Support in Deep Space

Probabilistic risk assessment (PRA) is a method for assessing and integrating the risk of failure in a multivariate system. While it is often applied by engineers designing complex machines, it could also be applied to humans to assess the probability of a health “failure” treating diseases as the multiple “variables” and the human as the “complex machine.” The Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT) was developed to apply PRA to assess medical risk for exploration spaceflight and inform the design of medical systems for space flight. The NASA engineering community utilizes event-driven and fault tree probabilistic techniques to classify risk in the space flight environment by leveraging the inherent knowledge of complex space flight system design and testing to quantify risk. However, in harmonizing the risk of human space flight, answering the question of “How do we balance astronaut health, performance and resource risks with other engineering risks on exploration space missions?” remains a profoundly challenging and largely qualitative practice. The Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT) is one aspect of the Human Research Program’s efforts to represent space fight human health and performance risks quantitatively.

L Mcintyre↗
NASA NTRS2014

Range-Specific High-Resolution Mesoscale Model Setup: Data Assimilation

Mesoscale weather conditions can have an adverse effect on space launch, landing, and ground processing at the Eastern Range (ER) in Florida and Wallops Flight Facility (WFF) in Virginia. During summer, land-sea interactions across Kennedy Space Center (KSC) and Cape Canaveral Air Force Station (CCAFS) lead to sea breeze front formation, which can spawn deep convection that can hinder operations and endanger personnel and resources. Many other weak locally driven low-level boundaries and their interactions with the sea breeze front and each other can also initiate deep convection in the KSC/CCAFS area. Some of these other boundaries include the Indian River breeze front, Banana River breeze front, outflows from previous convection, horizontal convective rolls, convergence lines from other inland bodies of water such as Lake Okeechobee, the trailing convergence line from convergence of sea breeze fronts due to the shape of Cape Canaveral, frictional convergence lines from the islands in the Bahamas, convergence lines from soil moisture differences, convergence lines from cloud shading, and others. All these subtle weak boundary interactions often make forecasting of operationally important weather very difficult at KSC/CCAFS during the convective season (May-Oct). These convective processes often build quickly, last a short time (60 minutes or less), and occur over small distances, all of which also poses a significant challenge to the local forecasters who are responsible for issuing weather advisories, watches, and warnings. Surface winds during the transition seasons of spring and fall pose the most difficulties for the forecasters at WFF. They also encounter problems forecasting convective activity and temperature during those seasons. Therefore, accurate mesoscale model forecasts are needed to aid in their decision making. Both the ER and WFF would benefit greatly from high-resolution mesoscale model output to better forecast a variety of unique weather phenomena. Global and national scale models cannot properly resolve important local-scale weather features at each location due to their horizontal resolutions being much too coarse. Therefore, a properly tuned model at a high resolution is needed to provide improved capability. This task is a multi-year effort in which the Applied Meteorology Unit (AMU) will tune the Weather Research and Forecasting (WRF) model individually for each range. The goal of the first year, the results of which are in this report, was to tune the WRF model based on the best model resolution and run time while using reasonable computing capabilities. To accomplish this, the ER and WFF supported the tasking of the AMU to perform a number of sensitivity tests in order to determine the best model configuration for operational use at each of the ranges to best predict winds, precipitation, and temperature (Watson 2013). This task is a continuation of that work and will provide a recommended local data assimilation (DA) and numerical forecast model design optimized for the ER and WFF to support space launch activities. The model will be optimized for local weather challenges at both ranges.

Global and national scale models↗
NASA NTRS2018

Status Report on Aeroelasticity in the Vehicle Development for X-57 Maxwell

Risk reduction is the objective of the X-57 Maxwell aeroelasticity team. The X-57, NASA’s experimental electric propulsion aircraft, has a long thin wing with primary propulsion systems located at the wing tips and high lift motors distributed along the span. Many of the classical aeroelastic concerns associated with such a configuration were addressed through early design decisions. The as-designed intermediate flight vehicle configurations show flutter mechanisms associated with flexible models of control surface systems –the stabilator, flaps and ailerons. Improvements to the analytical models, based on ground test data and project decisions about flight operations, show improved prospects of the vehicle being aeroelastically stable throughout the flight envelope. On-going ground testing and further analyses will lend credibility to the flutter predictions and vehicle safety.

Heeg, Jennifer↗
NASA NTRSDate not supplied

QuantifyML: How good is my machine learning model?

This paper presents an approach, QuantifyML, which employs model counting to assess the learnability and robustness of machine learning models. Typically the efficacy of machine learning models is determined by computing their accuracy statistically on test data sets. However, this may be misleading, if the test data is not representative of the problem that is being studied. Further, two different models may have the same accuracy on a given data set, measured statistically, but may be very different in their behavior on unseen data. Also, models with high accuracy could have poor adversarial robustness. In QuantifyML, our goal is to precisely quantify the extent to which machine learning models have learned and generalized from the given data. In QuantifyML, a trained model is translated into a C program, which is fed to the CBMC model checking tool to produce a formula in Conjunctive Normal Form (CNF), which in turn is analyzed with state-of-the-art model counters to efficiently obtain precise counts w.r.t different outputs. QuantifyML enables i) evaluating the learnability of models by comparing the counts for the outputs to ground truth, expressed as logical predicates (if available), ii) comparing the performance of different models that may be built with different machine learning algorithms (e.g., decision-trees vs. neural networks), and iii) quantifying the robustness of trained models around given inputs. Our evaluation demonstrates these applications of QuantifyML on decision trees and neural networks trained to learn relational properties of graphs, for which we know the ground truth, and to perform image classification, for which we do not have the ground truth, but we can quantify local robustness.

Deep Neural Networks↗
DOE OSTI2023

Agent-based simulation and child protection systems: Rationale, implementation, and verification

Simulation models are an important tool used in health care and other disciplines to support operational research and decision-making. In the child protection literature, simulation models are an under-utilized source of research evidence. Here, in this paper, we describe the rationale for and the development of an agent-based simulation of a child protection system in the US. Using the investigation, prevention service, and placement histories of 600,000 children served in an urban child welfare system, we walk the reader through the development of a prototype known as OSPEDALE. The governing equations built into OSPEDALE probabilistically simulate the onset of investigations. Then, drawing from empirical survival distributions, the governing equations trace the probability of subsequent interactions with the system (recurrence of maltreatment, service referrals, and placement) conditional on the characteristics of children, their assessed risk level, and prior child protection system involvement. As an initial test of OSPEDALE's utility, we compare empirical admission counts with counts generated from OSPEDALE. Though the verification step is admittedly simple, the comparison shows that OSPEDALE replicates the empirical count of new admissions closely enough to justify further investment in OSPEDALE. Management of public child protection systems is increasingly research evidence-dependent. The emphasis on research evidence as a decision-support tool has elevated evidence acquired through randomized clinical trials. Though important, the evidence from clinical trials represents only one type of research evidence. Properly specified, simulation models are another source of evidence with real-world relevance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Third-Party Supplier Risk Re-Classification Using Multi-Model Semantic Voting and External Web Augmentation

Risk decisions in many third-party risk management (TPRM) workflows rely on static inherent risk questionnaires (IRQ). These static forms provide a snapshot of the vendor from the business users’ perspective, as these requests are processed without cross-referencing for evidence. Consequently, responses can be misinformed or embellished with inaccuracies, thereby masking the vendor’s true risk to the enterprise. This paper presents a multi-stage verification framework to augment IRQs with web evidence and a deterministic ensemble of large language model assessors to reclassify risk. In a case study of 100 submissions previously misclassified as low risk, the proposed framework correctly identified 76% of the cases as high risk, while the existing workflow identified none. McNemar’s continuity corrected statistics of 74 were obtained with a two sided p-value of 2.65 × 10-23, indicating a significantly more effective workflow compared to the legacy model.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Forte: An Interactive Visual Analytic Tool for Trust-Augmented Net-Load Forecasting

Accurate net-load forecasting is vital for energy planning, aiding decisions on trade and load distribution. However, assessing the performance of forecasting models across diverse input variables, like temperature and humidity, remains challenging, particularly for eliciting a high degree of trust in the model outcomes. In this context, there is a growing need for data-driven technological interventions to aid scientists in comprehending how models react to both noisy and clean input variables, thus shedding light on complex behaviors and fostering confidence in the outcomes. In this paper, we present Forte, a visual analytics-based application to explore deep probabilistic net-load forecasting models across various input variables and understand the error rates for different scenarios. With carefully designed visual interventions, this web-based interface empowers scientists to derive insights about model performance by simulating diverse scenarios, facilitating an informed decision-making process. We discuss observations made using Forte and demonstrate the effectiveness of visualization techniques to provide valuable insights into the correlation between weather inputs and net-load forecasts, ultimately advancing grid capabilities by improving trust in forecasting models.

Bhattacharjee, Kaustav↗
NASA NTRS2016

Brief History of Agricultural Systems Modeling

Agricultural systems science generates knowledge that allows researchers to consider complex problems or take informed agricultural decisions. The rich history of this science exemplifies the diversity of systems and scales over which they operate and have been studied. Modeling, an essential tool in agricultural systems science, has been accomplished by scientists from a wide range of disciplines, who have contributed concepts and tools over more than six decades. As agricultural scientists now consider the next generation models, data, and knowledge products needed to meet the increasingly complex systems problems faced by society, it is important to take stock of this history and its lessons to ensure that we avoid re-invention and strive to consider all dimensions of associated challenges. To this end, we summarize here the history of agricultural systems modeling and identify lessons learned that can help guide the design and development of next generation of agricultural system tools and methods. A number of past events combined with overall technological progress in other fields have strongly contributed to the evolution of agricultural system modeling, including development of process-based bio-physical models of crops and livestock, statistical models based on historical observations, and economic optimization and simulation models at household and regional to global scales. Characteristics of agricultural systems models have varied widely depending on the systems involved, their scales, and the wide range of purposes that motivated their development and use by researchers in different disciplines. Recent trends in broader collaboration across institutions, across disciplines, and between the public and private sectors suggest that the stage is set for the major advances in agricultural systems science that are needed for the next generation of models, databases, knowledge products and decision support systems. The lessons from history should be considered to help avoid roadblocks and pitfalls as the community develops this next generation of agricultural systems models.

agricultural systems↗
DOE OSTI2021

A comparison between residential relocation timing of Sydney and Chicago residents: A Bayesian survival analysis

We report that understanding households' behaviour in residential relocation timing is of great importance in the field of transport engineering and economics. This research aims to develop a residential relocation model by considering the potential dynamic impacts of other households' decisions and variables, including economic and demographic attributes, housing features, intra-household decision-making structures, travel mode choice, and other life-course attributes. A multivariate parametric survival model with both fixed and time-varying covariates is developed. To the best of the authors' knowledge, this study is the first paper in the literature of residential relocation timing to propose the use of a Bayesian model in contrast to the widely used classic frequentist approach and have conducted a discussion on its advantages. An emerging residential relocation dataset collected for two cities in Australia and the USA (Sydney and Chicago cities) has been used, which covers residence, vehicle ownership, occupation, education, economic and demographic attributes of respondents. A comprehensive comparison between the results of two cities and a comparison between two Bayesian and frequentist approaches are made. This study confirms the impact of life-course variables, intra-household decision-making behaviours, and sociodemographic attributes on home mobility. According to the model outputs, the accelerating or decelerating impact of explanatory variables on the relocation timing has been almost the same in the two cities. The Bayesian model was confirmed to have some advantages over the frequentist model, including being straightforward to interpret, availability of making inferences on the results, and ease of handling complex models, and optimisation convergence complexities.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Impacts of Renewable Energy and Green Hydrogen Policies on Uttar Pradesh's Power Sector Future: Additional Modeling Scenarios to Explore Hydrogen Flexibility [Slides]

This slide deck is part of a broader program focused on supporting Indian states with long-term power system planning. More information about this program can be found at the National Renewable Energy Laboratory's "Supporting India's States With Renewable Energy Integration" web page at https://www.nrel.gov/international/india-renewable-energy-integration.html. The power sector in Uttar Pradesh, India's most populous state, is poised to transform over the next few decades due to a combination of national and state-level policies impacting both the supply and demand of electricity. The Government of Uttar Pradesh has policies and plans to develop in-state solar PV, pumped storage hydropower, and green hydrogen. Power system policymakers and utilities in Uttar Pradesh are faced with the challenges of planning a system that incorporates increasing amounts of renewable energy and storage resources, meets rising electricity demand due to economic development and green hydrogen production, and satisfies operational and reliability requirements. To support these various objectives, the National Renewable Energy Laboratory (NREL), RMI, and the Uttar Pradesh New and Renewable Energy Development Agency (UPNEDA) evaluated the least-cost pathways for the state's power sector through 2050. NREL developed a capacity expansion model that identifies investment and operational decisions for every year (2024-2050) for all of India, with detailed representation for the state of Uttar Pradesh, which can provide a framework for recurring planning studies. The purpose of this slide deck is to supplement the main study (published in May 2024) with additional modeling scenarios to explore hydrogen flexibility.

08 HYDROGEN↗
NASA NTRS1972

Binaural signal detection - Equalization and cancellation theory.

The improvement in masked-signal detection afforded by two ears (i.e., binaural unmasking) is explained on the basis of a descriptive model of the processing of binaural stimuli by a system consisting of two bandpass filters, an equalization and cancellation mechanism, and a decision device. The main ideas of the model are initially explained, and a general equation is derived for the purpose of making quantitative predictions. Comparisons are then made between various special cases of this equation and experimental data. Failures of the preliminary model in predicting the data are considered, and possible revisions are discussed.

Durlach, N. I.↗
DOE OSTI2025

Towards a Robust Adaptive Digital Twin for Fusion Applications

The development of a digital twin system for fusion applications is essential for enhancing the prediction, analysis, and optimization of complex plasma processes. Machine learning (ML), particularly deep learning has demonstrated strong capabilities in modeling such highly nonlinear and intricate systems. However, two critical challenges limit the deployment of deep learning-based digital twins: Uncertainty Quantification (UQ) and data drift. UQ is vital for ensuring trustworthy predictions, especially in decision-support scenarios. Additionally, data-driven models are often sensitive to changes in the underlying data distribution, such as shot-to-shot variations in fusion experiments, which can lead to performance degradation over time. To address these challenges, we are developing an uncertainty-aware, adaptive digital twin framework. Our approach incorporates deep learning models enhanced with Gaussian Process approximations for predictive uncertainty estimation, coupled with an online learning mechanism that enables continuous model adaptation to new experimental data. This adaptive capability allows the data driven models to respond effectively to evolving plasma behaviors and equipment conditions. Specifically, to mitigate the effects of shot-to-shot drift, our system updates itself incrementally as new data becomes available, improving both robustness and fidelity. Our vision is to evolve this data driven model into a self-sustaining digital twin system that leverages UQ based feedback to continuously refine itself and potentially support real-time decision making. This presentation will cover a brief background on uncertainty quantification for ML, our ongoing effort on development of UQ capabilities for ML, our data science pipeline from data collection to model development and analysis and online learning framework for modeling coil deflection at DIII-D. I will also briefly touch upon opportunities and challenges in development of digital twin framework.

Sammuli, Brian [General Atomics]↗
DOE OSTI2025

Microreactor Optimization Using Simulation And Economics (mouse)

Microreactor Optimization Using Simulation and Economics (MOUSE) is a tool that integrates both nuclear microreactor design and reactor economics to provide comprehensive evaluations and optimizations. This tool enables stakeholders to explore the interplay between technical and economic variables, guiding them towards effective and competitive microreactor solutions. For the reactor core simulations, MOUSE leverages the OpenMC Monte Carlo Particle Transport Code to perform detailed core simulations for various microreactor designs. The included OpenMC models are 2D core designs of a Liquid Metal Thermal Microreactor (LMTR), a Gas-Cooled TRISO-Fueled Microreactor (GCMR), and a Heat Pipe Microreactor. Beyond core design, MOUSE includes simplified calculations for: - Calculating the masses of heat exchangers within the system. - Mechanical power of pumps. - Estimating the area occupied by various buildings within the nuclear plant. For the economic analysis, MOUSE provides detailed bottom-up cost estimates, encompassing a wide range of costs including preconstruction costs, direct costs, indirect costs, training costs, financial costs, operation & maintenance (O&M) costs, and fuel costs. These cost estimations are developed using data from the MARVEL project and additional literature sources, enabling the calculation of total capital costs and levelized cost of energy for both first-of-a-kind and nth-of-a-kind microreactors. MOUSE also enables analysis of the cost drivers and competitiveness in the electricity market. MOUSE allows users to modify a wide array of technical and economic parameters to evaluate different scenarios and their impacts. Examples of these parameters include: Fuels, coolants, or reflector materials Enrichment levels Control drum materials and geometry Fuel pin geometry and materials Moderator pin geometry and materials Reactor core and reflector dimensions Packing factor for the TRISO particles Nuclear reactor power and reactor burnup Number of sensors Shielding thickness Reactor vessel and guard vessel dimensions Operational staff requirements Number of emergency shutdowns Levelization period Interest rate Construction duration Since MOUSE is powered by the WATTS toolkit, it supports optimization studies, parametric analyses, and uncertainty calculations/propagation. The optimization techniques enable users to identify optimal design and economic configurations. The parametric analysis tools allow users to explore the sensitivity of various parameters, while uncertainty propagation helps quantify the impact of uncertainties on overall performance and cost. User Interface and Workflow: Currently, MOUSE is a command-line-based tool. Users can input various reactor design or economic parameters, modify the designs, run simulations, and visualize results through comprehensive data visualization and reporting capabilities. The typical workflow involves setting up the reactor model, defining economic parameters, running simulations, and analyzing the results to make informed decisions. By combining advanced design calculations with detailed economic modeling, MOUSE provides a robust framework for optimizing nuclear microreactor technologies, enhancing their competitiveness, and guiding stakeholders towards innovative and cost-effective solutions.

Hanna, Botros [Idaho National Laboratory (INL), Id↗