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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Predicting Metabolic Reaction Networks with Perturbation-Theory Machine Learning (PTML) Models

Background: Checking the connectivity (structure) of complex Metabolic Reaction Networks(MRNs) models proposed for new microorganisms with promising properties is an importantgoal for chemical biology. Objective: In principle, we can perform a hand-on checking (Manual Curation). However, this is achallenging task due to the high number of combinations of pairs of nodes (possible metabolic reactions). Results: The CPTML linear model obtained using the LDA algorithm is able to discriminate nodes(metabolites) with the correct assignation of reactions from incorrect nodes with values of accuracy,specificity, and sensitivity in the range of 85-100% in both training and external validation dataseries. Methods: In this work, we used Combinatorial Perturbation Theory and Machine Learning techniquesto seek a CPTML model for MRNs >40 organisms compiled by Barabasis’ group. First, wequantified the local structure of a very large set of nodes in each MRN using a new class of node indexcalled Markov linear indices fk. Next, we calculated CPT operators for 150000 combinationsof query and reference nodes of MRNs. Last, we used these CPT operators as inputs of differentML algorithms. Conclusion: Meanwhile, PTML models based on Bayesian network, J48-Decision Tree and RandomForest algorithms were identified as the three best non-linear models with accuracy greaterthan 97.5%. The present work opens the door to the study of MRNs of multiple organisms usingPTML models.

Pharmacology & Pharmacy↗
DOE OSTI2026

Toward the application of the Risk-Based Maintenance approach to a hydrogen-fueled manufacturing plant

Safety, reliability, and maintenance of hydrogen-based equipment, including Risk-Based Maintenance (RBM), have recently gained increasing attention, as hydrogen, while key to decarbonizing hard-to-abate sectors, raises safety concerns. However, two literature gaps limit the development of risk-based strategies for hydrogen technologies. First, existing RBM methodologies do not account for hydrogen-specific components, such as electrolyzers, which differ from conventional equipment. Second, available studies on electrolyzer reliability remain largely qualitative or laboratory-scale. This study addresses these gaps by proposing an adapted RBM methodology tailored to hydrogen-fueled manufacturing facilities. Integrating qualitative tools (e.g., FMEA) with probabilistic models (e.g., Bayesian Networks) enables comprehensive hazardous scenarios identification and likelihood estimation. A conceptual layout of a glass furnace supplied by a 3 MW PEM electrolyzer is considered as a case study to demonstrate the feasibility of the adapted RBM framework in identifying high-risk components and enabling maintenance prioritization, potentially improving plant safety.

08 HYDROGEN↗
DOE OSTI2024

Trustworthiness modeling and evaluation for a nearly autonomous management and control system

The Nearly Autonomous Management and Control (NAMAC) system supports the advanced reactor operation by recommending control actions to operators based on real-time measurements and digital twins (DTs) learning from the knowledge base. To enable the safe and reliable use of autonomous technologies, NAMAC and its recommendations should be trustworthy to operators and regulators at both the design and operation stages. This study proposes a NAMAC trustworthiness modeling and evaluation framework supported by trustworthiness ontologies and evidence-based approaches. The development-time and run-time ontologies are separately constructed and then converted to Bayesian networks to quantitatively evaluate the NAMAC trustworthiness. This evaluation is demonstrated by collecting and characterizing evidence from NAMAC practices, such as the development and assessment of the NAMAC system, data coverage assessment, and the training and optimizations of neural-network-based DTs. Our proposed approach can aggregate various trustworthiness attributes of complex artificial-intelligence-supported systems for safety-critical applications. It also considers the interaction between different DTs and extends beyond the trustworthiness evaluation of a single DT. In conclusion, the evidence-based method enhances the transparency of the trustworthiness modeling and evaluation processes and helps identify uncertainties and subjectivity involved in the processes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

A review of computing-based automated fault detection and diagnosis of heating, ventilation and air conditioning systems

We report faults in Heating, Ventilation, and Air Conditioning (HVAC) systems of buildings result in significant energy waste in building operation. With fast-growing sensing data availability and advancement in computing, computational modeling has demonstrated strong capability to detect and diagnose HVAC system faults, hence, ensuring efficient building operation. This paper comprehensively reviews the state-of-the-art computing-based fault detection and diagnosis (FDD) for HVAC systems. Overall, the reviewed computing-based FDD methods are classified as two major approaches: knowledge-based and data-driven approaches. We then identify multiple important topics, including data availability, training data size, data quality, approach generality, capability, interpretability, and required modeling efforts, along with corresponding metrics to summarize the most updated FDD development. Generally, the knowledge-based approaches are further divided as physics-based modeling, Diagnostic Bayesian Network, and performance indicator-based methods while data-driven approaches include supervised learning, unsupervised learning, and regression and statistics-based methods. State-of-the-art FDD development, remaining challenges, and future research directions are further discussed to push forward FDD in practice. Availability of fault data, capability of existing methods to deal with complex fault situations (such as simultaneous faults), modeling interpretability for data-driven methods, and required engineering efforts for physics-based methods are identified as remaining challenges in FDD development. Improving modeling fidelity and reducing modeling efforts are essential for applying physics-based methods in real buildings. Meanwhile, addressing fault data availability, increasing algorithm adaptability, and handling multiple faults are essential to further enhance the applicability of data-driven FDD approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Cellular, molecular, and therapeutic characterization of pilocarpine-induced temporal lobe epilepsy

Animal models have expanded our understanding of temporal lobe epilepsy (TLE). However, translating these to cell-specific druggable hypotheses is not explored. Herein, we conducted an integrative insilico-analysis of an available transcriptomics dataset obtained from animals with pilocarpine-induced-TLE. A set of 119 genes with subtle-to-moderate impact predicted most forms of epilepsy with ~ 97% accuracy and characteristically mapped to upregulated homeostatic and downregulated synaptic pathways. The deconvolution of cellular proportions revealed opposing changes in diverse cell types. The proportion of nonneuronal cells increased whereas that of interneurons, except for those expressing vasoactive intestinal peptide (Vip), decreased, and pyramidal neurons of the cornu-ammonis (CA) subfields showed the highest variation in proportion. A probabilistic Bayesian-network demonstrated an aberrant and oscillating physiological interaction between nonneuronal cells involved in the blood–brain-barrier and Vip interneurons in driving seizures, and their role was evaluated insilico using transcriptomic changes induced by valproic-acid, which showed opposing effects in the two cell-types. Additionally, we revealed novel epileptic and antiepileptic mechanisms and predicted drugs using causal inference, outperforming the present drug repurposing approaches. These well-powered findings not only expand the understanding of TLE and seizure oscillation, but also provide predictive biomarkers of epilepsy, cellular and causal micro-circuitry changes associated with it, and a drug-discovery method focusing on these events.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Generating synthetic occupants for use in building performance simulation

Occupant behaviour simulation frameworks can employ synthetic populations to characterize occupancy and behavioural patterns in buildings based on observed demographic data at a certain geographical location. For buildings, very few synthetic occupant populations have been generated. This paper uses a Bayesian Networks (BN) structural learning approach to synthesize populations of occupants in a multi-family housing case study. Two additional cases of office occupants and senior housing residents are considered as a cross-case comparison. Furthermore, we draw upon the extended version of drivers-needs-actions-systems (DNAS) framework to guide the selection of variables and data imputation. Our results show that the BN approach is powerful in learning the structure of data sets. The synthetic data sets successfully match the joint distributions of the underlying combined data sets. Experiments on the multi-family housing particularly show better performance than the office and senior housing cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Q-BEEP: Quantum Bayesian Error Mitigation Employing Poisson Modeling over the Hamming Spectrum

Quantum computing technology has grown rapidly in recent years, with new technologies being explored, error rates being reduced, and quantum processor’s qubit capacity growing. However, near-term quantum algorithms are still unable to be induced without compounding consequential levels of noise, leading to non-trivial erroneous results. Quantum Error Correction (in-situ error mitigation) and Quantum Error Mitigation (post-induction error mitigation) are promising fields of research within the quantum algorithm scene, aiming to alleviate quantum errors, increasing the overall fidelity and hence the overall quality of circuit induction. Earlier this year, a pioneering work, namely HAMMER, published in ASPLOS-22 demonstrated the existence of a latent structure regarding post-circuit induction errors when mapping to the Hamming spectrum. However, they intuitively assumed that errors occur in local clusters, and that at higher average Hamming distances this structure falls away. In this work, we show that such a correlation structure is not only local but extends certain non-local clustering patterns which can be precisely described by a Poisson distribution model taking the input circuit, the device run time status (i.e., calibration statistics) and qubit topology into consideration. Using this quantum error characterizing model, we developed an iterative algorithm over the generated Bayesian network state-graph for post-induction error mitigation. Thanks to more precise modeling of the error distribution latent structure and the new iterative method, our Q-Beep approach provides state of the art performance and can boost circuit execution fidelity by up to 234.6% on Bernstein-Vazirani circuits and on average 71.0% on QAOA solution quality, using 16 practical IBMQ quantum processors. For other benchmarks such as those in QASMBench, the fidelity improvement is up to 17.8%. Q-Beep is a light-weight post-processing technique that can be performed offline and remotely, making it a useful tool for quantum vendors to integrate and provide more reliable circuit induction results.

Stein, Samuel A.↗
DOE OSTI2021

Data for Adoption of Perennial Energy Crops in the U.S. Midwest, Causal and Heterogeneous Determinants

The success of a bioenergy policy relies largely on the wide adoption of perennial energy crops at the farm scale. This study uses survey data to examine potential adoption decisions by farmers in the U.S. Midwest and the causal effects of various direct and indirect influencing factors, especially heterogeneous preferences of farmers. A Bayesian network (BN) model is developed to delineate the causal relationship between farmers adoption decisions and the influencing factors. We find a dominating role of economic factors and a non-negligible impact of non-economic factors, such as the perceived environmental benefits and the extent of familiarity with perennial energy crops. To examine the effect of heterogeneity in farmer preferences, we classify the surveyed farmers into four categories based on their attitudes toward the economic, social, and environmental dimensions of perennial energy crops. We identified statistically significant between-group differences in the responses of the four types of farmers to the various influencing factors. Our findings contribute to disentangling the complicated motivations that will influence perennial energy crop adoption decisions and provide implications for more targeted policy development that need to consider the heterogeneous drivers of farmer decisions about land use.

Modeling↗
DOE OSTI2020

Methods for R&D Portfolio Analysis and Evaluation (Workshop Report)

The Workshop on Methods for R&D Portfolio Analysis and Evaluation convened on 17–18 July 2019 at the National Renewable Energy Laboratory in Golden, Colorado, and examined strengths and weaknesses of the various methodologies applicable to R&D portfolio modeling, analysis, and decision support, given pragmatic constraints such as data availability, uncertainties in estimating the impact of R&D spending, and practical operational overheads. Participants employed their deep expertise in approaches such as stochastic optimization, real options, Monte-Carlo analysis, Bayesian networks, decision theory, complex systems analysis, deep uncertainty, and technology-evolution modeling to critique the initial example models developed by the project’s core team and to conduct thought experiments grounded in real-life technology models, progress data, expert elicitation, and portfolio information. This engagement of participants’ methodological expertise with the practical requirements of real-life portfolio decision support yielded ideas for improved approaches, alternative methodological hypotheses, and hybridization of methodologies that are well-grounded theoretically, computationally sound, and realistically executable given data availability and other practical constraints.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Methods for R&D Portfolio Analysis and Evaluation (Workshop Report)

The Workshop on Methods for R&D Portfolio Analysis and Evaluation convened on 17-18 July 2019 at the National Renewable Energy Laboratory in Golden, Colorado, and examined strengths and weaknesses of the various methodologies applicable to R&D portfolio modeling, analysis, and decision support, given pragmatic constraints such as data availability, uncertainties in estimating the impact of R&D spending, and practical operational overheads. Participants employed their deep expertise in approaches such as stochastic optimization, real options, Monte-Carlo analysis, Bayesian networks, decision theory, complex systems analysis, deep uncertainty, and technology-evolution modeling to critique the initial example models developed by the project’s core team and to conduct thought experiments grounded in real-life technology models, progress data, expert elicitation, and portfolio information. This engagement of participants’ methodological expertise with the practical requirements of real-life portfolio decision support yielded ideas for improved approaches, alternative methodological hypotheses, and hybridization of methodologies that are well-grounded theoretically, computationally sound, and realistically executable given data availability and other practical constraints.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Development of Integrated Safety and Security Models for Comprehensive Reliability and Resiliency Evaluation

The security of the electric grid and supporting energy systems is crucial to national security. One of the complexities in analyzing the security of energy systems is the safety consequences that may result from accidents. For energy systems, the goal is to ensure that they operate as intended and that any consequences are mitigated or prevented. The integration of safety and security is paramount to protecting these systems from attacks and ensuring that large consequences are prevented. This report describes an integrated safety and security methodology to evaluate cybersecurity events that can lead to large consequences. This novel approach first describes how Systems-Theoretic Process Analysis (STPA) provides a digital causal analysis for Bayesian Networks (BNs). The use of STPA causal analysis provides a systematic approach to constructing BNs that adequately model cyber scenarios that result in consequences. When combined with the technical principles described in Risk-Informed Management of Enterprise Systems (RIMES), a comprehensive risk-informed cybersecurity analysis results that allows decision-makers to prioritize systems that most impact risk.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Towards a New Supply Chain Cybersecurity Risk Analysis Technique

Supply chain cyber-attacks, such as the SolarWinds Orion attack, are occurring with greater frequency. These attacks compromise a digital device before it is sent to customers, bypassing traditional security controls to remain persistent and undetected in operational environments. While supply chain attacks are prevalent, methods for analyzing the risk of these attacks are currently unavailable. This paper proposes new supply chain cyber-attack difficulty and risk metrics to evaluate the relative risk of an attack throughout the supply chain lifecycle. Difficulty metrics for each stakeholder in a digital device’s supply chain (e.g., hardware manufacturing, firmware development, software development, storage, and distribution entities) are calculated using scores from cybersecurity maturity questionnaires in a Bayesian Network leaky Noisy-MAX model. These difficulty metrics are then used to calculate an overall supply chain cyber-attack risk. Vulnerability and recoverability metrics are also proposed to evaluate the relative stakeholder influence in the attack risk. These proposed relative risk metrics enable continuous supply chain monitoring, provide decision-makers with information necessary for improved supplier selection, and help drive improvements in the cybersecurity posture of the stakeholders in their supply chain.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Crustal Scale Travel Time Prediction with the SALSA3D Framework and Machine Learning

The SALSA3D project aims to improve our models used in travel time prediction. The current version uses tomographic modeling for propagation through the Earth’s mantle because of the large number (order of millions) of observations of seismic phases which primarily traverse the Earth’s mantle and the ability to pose the travel time problem as a set of linear equations. However, all seismic rays traverse the crust to reach receivers at the surface and therefore models of propagation through the crust are required. Therefore, the primary motivation for this study is to explore how to increase the scope of the SALSA3D project to phases which travel primarily through the crust. In this report, we evaluate new, machine learning based and physics-based methods to model these travel times for integration into the SALSA3D framework. Our results suggest that using our existing physics-based travel time tomography method is a viable approach for the regional to global scale, but better predictive capabilities can be achieved through a neural network trained on the region of interest for near-regional offsets. We suggest future iterations of SALSA3D should incorporate machine learning tools such as Physics-Informed Neural Networks or Bayesian Neural Networks.

58 GEOSCIENCES↗
NASA NTRS1993

Decision theory for computing variable and value ordering decisions for scheduling problems

Heuristics that guide search are critical when solving large planning and scheduling problems, but most variable and value ordering heuristics are sensitive to only one feature of the search state. One wants to combine evidence from all features of the search state into a subjective probability that a value choice is best, but there has been no solid semantics for merging evidence when it is conceived in these terms. Instead, variable and value ordering decisions should be viewed as problems in decision theory. This led to two key insights: (1) The fundamental concept that allows heuristic evidence to be merged is the net incremental utility that will be achieved by assigning a value to a variable. Probability distributions about net incremental utility can merge evidence from the utility function, binary constraints, resource constraints, and other problem features. The subjective probability that a value is the best choice is then derived from probability distributions about net incremental utility. (2) The methods used for rumor control in Bayesian Networks are the primary way to prevent cycling in the computation of probable net incremental utility. These insights lead to semantically justifiable ways to compute heuristic variable and value ordering decisions that merge evidence from all available features of the search state.

Linden, Theodore A.↗
NASA NTRS1994

A Guide to the Literature on Learning Graphical Models

This literature review discusses different methods under the general rubric of learning Bayesian networks from data, and more generally, learning probabilistic graphical models. Because many problems in artificial intelligence, statistics and neural networks can be represented as a probabilistic graphical model, this area provides a unifying perspective on learning. This paper organizes the research in this area along methodological lines of increasing complexity.

Buntine, Wray L.↗
NASA NTRS2004

Automatic Generation of Algorithms for the Statistical Analysis of Planetary Nebulae Images

Analyzing data sets collected in experiments or by observations is a Core scientific activity. Typically, experimentd and observational data are &aught with uncertainty, and the analysis is based on a statistical model of the conjectured underlying processes, The large data volumes collected by modern instruments make computer support indispensible for this. Consequently, scientists spend significant amounts of their time with the development and refinement of the data analysis programs. AutoBayes [GF+02, FS03] is a fully automatic synthesis system for generating statistical data analysis programs. Externally, it looks like a compiler: it takes an abstract problem specification and translates it into executable code. Its input is a concise description of a data analysis problem in the form of a statistical model as shown in Figure 1; its output is optimized and fully documented C/C++ code which can be linked dynamically into the Matlab and Octave environments. Internally, however, it is quite different: AutoBayes derives a customized algorithm implementing the given model using a schema-based process, and then further refines and optimizes the algorithm into code. A schema is a parameterized code template with associated semantic constraints which define and restrict the template s applicability. The schema parameters are instantiated in a problem-specific way during synthesis as AutoBayes checks the constraints against the original model or, recursively, against emerging sub-problems. AutoBayes schema library contains problem decomposition operators (which are justified by theorems in a formal logic in the domain of Bayesian networks) as well as machine learning algorithms (e.g., EM, k-Means) and nu- meric optimization methods (e.g., Nelder-Mead simplex, conjugate gradient). AutoBayes augments this schema-based approach by symbolic computation to derive closed-form solutions whenever possible. This is a major advantage over other statistical data analysis systems which use numerical approximations even in cases where closed-form solutions exist. AutoBayes is implemented in Prolog and comprises approximately 75.000 lines of code. In this paper, we take one typical scientific data analysis problem-analyzing planetary nebulae images taken by the Hubble Space Telescope-and show how AutoBayes can be used to automate the implementation of the necessary anal- ysis programs. We initially follow the analysis described by Knuth and Hajian [KHO2] and use AutoBayes to derive code for the published models. We show the details of the code derivation process, including the symbolic computations and automatic integration of library procedures, and compare the results of the automatically generated and manually implemented code. We then go beyond the original analysis and use AutoBayes to derive code for a simple image segmentation procedure based on a mixture model which can be used to automate a manual preproceesing step. Finally, we combine the original approach with the simple segmentation which yields a more detailed analysis. This also demonstrates that AutoBayes makes it easy to combine different aspects of data analysis.

Fischer, Bernd↗
NASA NTRS2005

A Framework for Integration of IVHM Technologies for Intelligent Integration for Vehicle Management

As a part of the overall goal of developing Integrated Vehicle Health Management (IVHM) systems for aerospace vehicles, the NASA Faculty Fellowship Program (NFFP) at Marshall Space Flight Center has performed a pilot study on IVHM principals which integrates researched IVHM technologies in support of Integrated Intelligent Vehicle Management (IIVM). IVHM is the process of assessing, preserving, and restoring system functionality across flight and ground systems (NASA NGLT 2004). The framework presented in this paper integrates advanced computational techniques with sensor and communication technologies for spacecraft that can generate responses through detection, diagnosis, reasoning, and adapt to system faults in support of IIVM. These real-time responses allow the IIVM to modify the effected vehicle subsystem(s) prior to a catastrophic event. Furthermore, the objective of this pilot program is to develop and integrate technologies which can provide a continuous, intelligent, and adaptive health state of a vehicle and use this information to improve safety and reduce costs of operations. Recent investments in avionics, health management, and controls have been directed towards IIVM. As this concept has matured, it has become clear the IIVM requires the same sensors and processing capabilities as the real-time avionics functions to support diagnosis of subsystem problems. New sensors have been proposed, in addition, to augment the avionics sensors to support better system monitoring and diagnostics. As the designs have been considered, a synergy has been realized where the real-time avionics can utilize sensors proposed for diagnostics and prognostics to make better real-time decisions in response to detected failures. IIVM provides for a single system allowing modularity of functions and hardware across the vehicle. The framework that supports IIVM consists of 11 major on-board functions necessary to fully manage a space vehicle maintaining crew safety and mission objectives: Guidance and Navigation; Communications and Tracking; Vehicle Monitoring; Information Transport and Integration; Vehicle Diagnostics; Vehicle Prognostics; Vehicle mission Planning; Automated Repair and Replacement; Vehicle Control; Human Computer Interface; and Onboard Verification and Validation. Furthermore, the presented framework provides complete vehicle management which not only allows for increased crew safety and mission success through new intelligence capabilities, but also yields a mechanism for more efficient vehicle operations. The representative IVHM technologies for IIVH includes: 1) robust controllers for use in re-usable launch vehicles, 2) scaleable/flexible computer platform using heterogeneous communication, 3) coupled electromagnetic oscillators for enhanced communications, 4) Linux-based real-time systems, 5) genetic algorithms, 6) Bayesian Networks, 7) evolutionary algorithms, 8) dynamic systems control modeling, and 9) advanced sensing capabilities. This paper presents IVHM technologies developed under NASA's NFFP pilot project. The integration of these IVHM technologies forms the framework for IIVM.

Paris, Deidre E.↗
NASA NTRS2005

Monitoring a Complex Physical System using a Hybrid Dynamic Bayes Net

The Reverse Water Gas Shift system (RWGS) is a complex physical system designed to produce oxygen from the carbon dioxide atmosphere on Mars. If sent to Mars, it would operate without human supervision, thus requiring a reliable automated system for monitoring and control. The RWGS presents many challenges typical of real-world systems, including: noisy and biased sensors, nonlinear behavior, effects that are manifested over different time granularities, and unobservability of many important quantities. In this paper we model the RWGS using a hybrid (discrete/continuous) Dynamic Bayesian Network (DBN), where the state at each time slice contains 33 discrete and 184 continuous variables. We show how the system state can be tracked using probabilistic inference over the model. We discuss how to deal with the various challenges presented by the RWGS, providing a suite of techniques that are likely to be useful in a wide range of applications. In particular, we describe a general framework for dealing with nonlinear behavior using numerical integration techniques, extending the successful Unscented Filter. We also show how to use a fixed-point computation to deal with effects that develop at different time scales, specifically rapid changes occuring during slowly changing processes. We test our model using real data collected from the RWGS, demonstrating the feasibility of hybrid DBNs for monitoring complex real-world physical systems.

Lerner, Uri↗