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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FluxRETAP: a REaction TArget Prioritization genome-scale modeling technique for selecting genetic targets

MOTIVATION: Metabolic engineering is rapidly evolving as a result of new advances in synthetic biology tools and automation platforms that enable high throughput strain construction, as well as the development of machine learning tools (ML) for biology. However, selecting genetic engineering targets that effectively guide the metabolic engineering process is still challenging. ML can provide predictive power for synthetic biology, but current technical limitations prevent the independent use of ML approaches without previous biological knowledge. RESULTS: Here, we present FluxRETAP, a simple and computationally inexpensive method that leverages the prior mechanistic knowledge embedded in genome-scale models for suggesting targets for genetic overexpression, downregulation or deletion, with the final goal of increasing the production of a desired metabolite. This method can provide a list of desirable engineering targets that can be combined with current ML pipelines. FluxRETAP captured 100% of reaction targets experimentally verified to improve Escherichia coli isoprenol production, 50% of targets that experimentally improved taxadiene production in E. coli and ∼60% of genetic targets from a verified minimal constrained cut-set in Pseudomonas putida, while providing additional high priority targets that could be tested. Overall, FluxRETAP is an efficient algorithm for identifying a prioritized list of testable genetic and reaction targets. AVAILABILITY AND IMPLEMENTATION: FluxRETAP is implemented in python and released under the creative commons license. The implementation and code are freely available at: https://github.com/JBEI/FluxRETAP.

Czajka, Jeffrey J↗
NASA NTRSDate not supplied

Automated Probabilistic Finite Element Model Calibration Tool Based on Uncertainty Quantification and Machine Learning

Qualification and certification of safety critical parts is a hurdle to the adoption of metallic additively manufactured components for aerospace vehicle applications. Challenges include variability in part properties due to inconsistent defect distribution and microstructure. Understanding of the process through finite element modeling (FEM), and process control through in-situ monitoring, may result in significant improvements; however, solutions useful to manufacturers will require large volumes of data and automated data utilization. Toward this end, a generalizable automated FEM calibration paradigm is developed. This paradigm leverages existing and novel tools from machine learning and uncertainty quantification to enable the automatic calibration of FEMs without requiring prior knowledge of the model performance across input parameter space, including meshing and solver settings, which can require time consuming manual model probing or cause noisy and inconsistent predictions. The result is a probabilistic distribution of calibrated and validated FEM input parameters targeting measured data.

Additive manufacturing model calibration finite el↗
DOE OSTI2024

Machine learning and deep learning tools for the automated capture of cancer surveillance data

The National Cancer Institute and the Department of Energy strategic partnership applies advanced computing and predictive machine learning and deep learning models to automate the capture of information from unstructured clinical text for inclusion in cancer registries. Applications include extraction of key data elements from pathology reports, determination of whether a pathology or radiology report is related to cancer, extraction of relevant biomarker information, and identification of recurrence. With the growing complexity of cancer diagnosis and treatment, capturing essential information with purely manual methods is increasingly difficult. These new methods for applying advanced computational capabilities to automate data extraction represent an opportunity to close critical information gaps and create a nimble, flexible platform on which new information sources, such as genomics, can be added. This will ultimately provide a deeper understanding of the drivers of cancer and outcomes in the population and increase the timeliness of reporting. These advances will enable better understanding of how real-world patients are treated and the outcomes associated with those treatments in the context of our complex medical and social environment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Physics-based modeling and information-theoretic sensor and settings selection for tool wear detection in precision machining

Precision machining of metals is an energy intensive process with applications and impacts across the manufacturing industry. The energy efficiency, product yield, and maintenance of the precision machine require a digital twin that can assist with prognostics and health management. In this report a physics-based model is developed and validated against face milling data, and then used for the timely and precise inference of machining faults that cannot be measured directly. Computer numerical control (CNC) measurements of power and force are used through this physics-based machining model to predict deviations of the outputs of power consumption and cutting forces during normal operation. A model-based fault detection and isolation methodology is applied to determine the optimal (traditional and available) sensor suite and the test settings (admissible input values) that improve the inference of tool wear in face milling. The optimal sensor suite and input test settings are obtained by solving a mixed integer non-linear program that optimizes information-theoretic metrics relevant to the detection and isolation of tool wear from steady-state or transient machining measurements. Dynamic time warping and k—NN classification are then used to validate the robustness of the optimal design for fault detection test design, including the optimal sensor suite.

42 ENGINEERING↗
DOE OSTI2025

End-to-End Automated Segmentation Framework for Four-Dimensional Scanning Transmission Electron Microscopy Data

Four-dimensional scanning transmission electron microscopy (4D-STEM) is powerful for rapidly characterizing arrays of nanoparticles produced via high-throughput synthesis. However, such 4D-STEM datasets typically contain thousands of nanoparticles, each characterized by thousands of diffraction patterns spatially distributed across the nanoparticle, necessitating efficient and comprehensive analysis. We propose an end-to-end segmentation framework to automatically segment each nanoparticle into regions with distinct composition/orientation of crystal grains, using only the 4D-STEM data. Bragg disk information is extracted in a physics-informed manner from the diffraction patterns at each spatial location and combined with the real space coordinates to form feature vectors. These feature vectors are then used as inputs to a Gaussian mixture model (GMM) to segment the nanoparticle into distinct regions. We also develop two visualization tools based on the GMM outputs to infer the interface transition and the degree of superposition. Our framework comprehensively integrates machine learning tools and physics knowledge, and provides a basis for substantially compressing enormous 4D-STEM datasets, e.g., by replacing the full 4D-STEM dataset for each nanoparticle with only a single set of Bragg disk features for each distinct crystal grain identified in the nanoparticle. In this article, we demonstrate the power of our framework by presenting results for real, complex datasets.

47 OTHER INSTRUMENTATION↗
NASA NTRSDate not supplied

Lunar Browser Utilization of Machine Learning for Trajectory Solution Production

This paper describes the application of machine learning tools to produce Earth-Moon spacecraft trajectories with applications to NASA’s Commercial Lunar Payload Services (CLPS) and Artemis Human Landing System (HLS) programs. Existing trajectory solutions are used to train and test machine learning models to predict essential details of a trajectory sequence from Earth-launch to Low-Lunar Orbit, populating a database of solutions with future launch dates. The machine learning model will implement hyperparameter optimization for further re-training to improve model performance. Accurate predictive models decrease the time required to produce solutions and are readily implemented in the Lunar Browser tool.

Trajectory Design↗
NASA NTRS1998

Tooling Foam for Structural Composite Applications

Tooling technology applications for composite structures fabrication have been expanded at MSFC's Productivity Enhancement Complex (PEC). Engineers from NASA/MSFC and Lockheed Martin Corporation have developed a tooling foam for use in composite materials processing and manufacturing that exhibits superior thermal and mechanical properties in comparison with other tooling foam materials. This tooling foam is also compatible with most preimpregnated composite resins such as epoxy, bismaleimide, phenolic and their associated cure cycles. MARCORE tooling foam has excellent processability for applications requiring either integral or removable tooling. It can also be tailored to meet the requirements for composite processing of parts with unlimited cross sectional area. A shelf life of at least six months is easily maintained when components are stored between 50F - 70F. The MARCORE tooling foam system is a two component urethane-modified polyisocyanurate, high density rigid foam with zero ozone depletion potential. This readily machineable, lightweight tooling foam is ideal for composite structures fabrication and is dimensionally stable at temperatures up to 350F and pressures of 100 psi.

DeLay, Tom↗
DOE OSTI2020

ASCENDS: Advanced data SCiENce toolkit for Non-Data Scientists

Recently, advances in machine learning and artificial intelligence have been playing more and more critical roles in a wide range of areas. For the last several years, industries have shown that how learning from data, identifying patterns and making decisions with minimal human intervention can be extremely useful to their business (e.g., image classification, recommending a product to a customer, finding friends in a social network, predicting customers actions, etc.). These success stories have been motivating scientists who study physics, chemistry, materials, medicine, and many other subjects, to explore a new pathway of utilizing machine learning techniques like regression and classification for their scientific activities. However, most existing machine learning tools, systems, and methodologies have been developed for programming experts but not for scientists (or any users) who have no or little knowledge of programming. ASCENDS is a toolkit that is developed to assist scientists (or any persons) who want to use their data for machine learning tasks, more specifically, correlation analysis, regression, and classification. ASCENDS does not require programming skills. Instead, it provides a set of simple but powerful CLI (Command Line Interface) and GUI (Graphic User Interface) tools for non-data scientists to be able to intuitively perform advanced data analysis and machine learning techniques. ASCENDS has been implemented by wrapping around opensource software including Keras, TensorFlow, and scikit-learn.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Searching for Short-Lived Particles Using the FASER Neutrino Detector

Short-lived particles such as $\tau$ leptons and charm hadrons produced from high-energy neutrino interactions can provide key insights into the Standard Model and beyond. In this study, initial results of the performance of dedicated search tools developed for FASERν are presented. For charged charm searches, all daughter tracks are identified for ~3/4 of the events. Advanced yet reliable machine learning tools are used for D0 detection. For $\tau$ searches, a signal / background ratio of 3.8 is achieved. These results are a major step towards discovering the first charm hadrons and $\tau$ leptons produced from collider neutrinos.

Thor, Simon [CERN] (ORCID:000000029183526X)↗
DOE OSTI2024

Elucidating Abnormal Grain Growth in Thermomagnetic Processed Materials with Transfer Learning and Reinforcement Learning

The goal of this research program is to establish the mechanism governing local grain boundary motion, which is needed to design and process desirable microstructures for better performance, by identifying the relative contributions of grain boundary (GB) energy and mobility to grain growth. Classical models for grain growth assume that the primary mechanism for reducing the total interfacial energy is area reduction and that GB restructuring is not significant. This assumption implies that grain growth is locally driven by curvature. However, recent experimental observations using new non-destructive 3D x-ray diffraction microscopy techniques (3D-XRM) reveal that classic descriptors (i.e., curvature, number of neighbors, grain size) do not predict real grain growth. Instead, local GB motion appears to be governed by its energy relative to its neighbors such that low-energy boundaries replace those of higher energy. However, simulations that incorporate GB energy anisotropy still fail to reproduce these observations. These discrepancies suggest that the common assumption for grain growth theory must be re-examined to predict and, thus, control microstructure evolution in real polycrystals. A significant challenge to testing this assumption is due to anisotropic GB mobility. Mobility may cause abnormal grain growth or affect the final grain shapes or growth rate but its true contributions are unknown because it is difficult to measure. For example, observations in Fe have found that grains associated with high energy and high mobility boundaries tend to experience abnormal grain growth, whereas abnormal grain growth is associated with low energy and high mobility boundaries in alumina. As mobility and energy both control GB motion, it is challenging to isolate the local driving forces necessary to test the common assumption that the primary mechanism is area reduction. The novelty of this work is the use of machine learning tools to capture GB mobility and energy from 3D-XRM measurements in polycrystals to test the common assumption used in grain growth models. Machine learning can capture high-order correlations in dynamic systems like those found in the evolving GB topology. The PIs have developed a physics-regularized interpretable machine learning microstructure evolution (PRIMME) model that accurately replicates the grain growth behavior of its trained data set.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Actor-based Runtime Verification with MESA

This work presents a runtime verification approach implemented in the tool MESA (MEssage-based System Analysis) which allows for using concurrent monitors to check for properties specified in data parameterized temporal logic and state machines. The tool is implemented as an internal Scala DSL. We employ the actor programming model to implement MESA where monitors are captured by concurrent actors that communicate via messaging. The paper presents a case study in which MESA is used to effectively monitor a large number of flights from live US airspace data streams. We also perform an empirical study by conducting experiments using monitoring systems with different numbers of concurrent monitors and different layers of indexing on the data contained in events. The paper describes the experiments, evaluates the results, and discusses challenges faced during the study. The evaluation shows the value of combining concurrency with indexing to handle data rich events.

runtime verification↗
NASA NTRS2020

Actor-based Runtime Verification with MESA

This work presents a runtime verification approach implemented in the tool MESA (MEssage-based System Analysis) which allows for using concurrent monitors to check for properties specified in data parameterized temporal logic and state machines. The tool is implemented as an internal Scala DSL. We employ the actor programming model to implement MESA where monitors are captured by concurrent actors that communicate via messaging. The paper presents a case study in which MESA is used to effectively monitor a large number of flights from live US airspace data streams. We also perform an empirical study by conducting experiments using monitoring systems with different num- bers of concurrent monitors and different layers of indexing on the data contained in events. The paper describes the experiments, evaluates the results, and discusses challenges faced during the study. The evaluation shows the value of combining concurrency with indexing to handle data rich events.

Mehlitz, Peter↗
DOE OSTI2023

Human Factors for Machine Learning in Astronomy

In this work, we present a collection of human-centered pitfalls that can occur when using machine learning tools and techniques in modern astronomical research, and we recommend best practices in order to mitigate these pitfalls. Human concerns affect the adoption and evolution of machine learning (ML) techniques in both existing workflows and work cultures. We use current and future surveys such as ZTF and LSST, the data that they collect, and the techniques implemented to process that data as examples of these challenges and the potential application of these best practices, with the ultimate goal of maximizing the discovery potential of these surveys.

astronomy, machine learning, human factors, trust,↗
NASA NTRSDate not supplied

Beyond Fair: Engagement, Data Usability, and Open Community Productivity through the NASA Open Science Data Repository

The FAIR principle (findable, accessible, interoperable, and reusable) governs the storage and sharing of NASA space biology and health data[1]. These guiding principles maximize reuse of data and the reproducibility of scientific findings. The NASA Open Science Data Repository (OSDR; an expansion of NASA GeneLab) was built on the FAIR principles and houses over 500 studies and close to 1000 datasets from decades of space life sciences experiments. OSDR embodies the FAIR principles through data governance that includes mediated, embargoed, and fully open access data. The FAIR data governance principles were recently proposed to be expanded to encompass a FAIREST framework for assessing research data repositories (FAIR + Engagement, Social connections, and Trust)[2]. FAIREST emphasizes the importance of data repositories engaging with the scientific community and gaining the trust of researchers regarding data quality. Trust also refers to the TRUST principles developed for assessment of digital repositories: Transparency, Responsibility, User Focus, Sustainability, Technology[3]. We present the “Open Science for Life in Space” Analysis Working Groups (AWGs) as evidence regarding the power of engagement, social connections, and trust which has enhanced OSDR’s capabilities and productivity. AWG members engage in two main activities. One, members provide feedback on OSDR scientific standards for data ingestion, curation, and reuse (study, subject and assay metadata; processing pipelines; dataset formats and uniformed structures for machine-readability). Two, AWG members collaborate to mine-reuse OSDR data to conduct scientific analysis. With nearly 800 active members, the AWGs have resulted in 32 publications re-using OSDR data and contributed many papers in two major special issues in Cell (2020) and Nature (2024). AWGs also serve as networking groups, facilitate social connections between researchers at all levels of experience, and also have a social online ‘Forum’ used to keep members informed on projects and opportunities. This community-centric, productive, and trustworthy data culture has resulted in a broader effect with international space agencies, academics, and the commercial space sector wanting to submit their data to OSDR. Ten studies of Inspiration 4 data were recently publicly released by OSDR, as were some JAXA human data. Coming up soon in OSDR are data submissions from the European Space Agency, Virgin Galactic PIs, and SpaceX Polaris Dawn. A major benefit of OSDR is the array of standardized and uniformly formatted data (which was developed through AWG member consensus), from which visualization tools, analysis tools, and machine learning models can be built or trained. This talk will cover the Multi-Study Visualization Tool, the Environmental Data Application, RadLab, and a UCSF-NSF funded knowledge graph biomedical health discovery tool ‘SPOKE’ currently being integrated with OSDR. OSDR also provides training programs in bioinformatics and machine learning to improve the scientific community’s awareness of data availability and to boost their ability to perform data analysis. The increasing engagement of the scientific community and the public with technologies powered by artificial intelligence (AI) heightens the need for data analysis to be transparent. The AI for Life in Space initiative leverages the data products provided in OSDR to train AI models, with an emphasis on explainable and trustworthy AI, which would not be possible without FAIR data and metadata. Overall, here we will demonstrate the importance for NASA life sciences data repositories to adhere to the FAIREST framework, by providing examples and success stories from different aspects of OSDR.

data↗
DOE OSTI2021

The value of human data annotation for machine learning based anomaly detection in environmental systems

Anomaly detection is the process of identifying unexpected data samples in datasets. Automated anomaly detection is either performed using supervised machine learning models, which require a labelled dataset for their calibration, or unsupervised models, which do not require labels. While academic research has produced a vast array of tools and machine learning models for automated anomaly detection, the research community focused on environmental systems still lacks a comparative analysis that is simultaneously comprehensive, objective, and systematic. This knowledge gap is addressed for the first time in this study, where 15 different supervised and unsupervised anomaly detection models are evaluated on 5 different environmental datasets from engineered and natural aquatic systems. To this end, anomaly detection performance, labelling efforts, as well as the impact of model and algorithm tuning are taken into account. As a result, our analysis reveals the relative strengths and weaknesses of the different approaches in an objective manner without bias for any particular paradigm in machine learning. Most importantly, our results show that expert-based data annotation is extremely valuable for anomaly detection based on machine learning.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Constituent Data Replacement Tool

The purpose of this tool is to estimate key parameters that may be missing in public wastewater composition datasets. The tool can be applied to develop complete treatment and critical mineral extraction profiles for leachate, produced water and other aqueous waste streams. The tool applies machine learning algorithms to replace missing data in a user’s water data set that are adjusted based on user preferences for options including algorithm type, number of features, and classification variables. The tool can use the user’s data alone or combine user data with the NEWTS USGS Produced Water Database for more robust training. This research was funded by the U.S. Department of Energy’s Office Fossil Energy and Carbon Management (FECM) through National Energy Technology Laboratory’s ongoing research under the Water Management for Power System Field Work Proposal, DE-FECM 1022428 and Critical Minerals Field Work Proposal, DE-FECM 1022420.

Aqueous Chemistry↗
NASA NTRS2002

Navigation in Grid Space with the NAS Grid Benchmarks

We present a navigational tool for computational grids. The navigational process is based on measuring the grid characteristics with the NAS Grid Benchmarks (NGB) and using the measurements to assign tasks of a grid application to the grid machines. The tool allows the user to explore the grid space and to navigate the execution at a grid application to minimize its turnaround time. We introduce the notion of gridscape as a user view of the grid and show how it can be me assured by NGB, Then we demonstrate how the gridscape can be used with two different schedulers to navigate a grid application through a rudimentary grid.

Frumkin, Michael↗