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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Predictive Modeling and Uncertainty Quantification in Condition Monitoring of Active Components: A Reactor Coolant Pump Use Case

This work develops data-driven models for onset of thermal barrier leakage in reactor coolant pumps. It incorporates uncertainty quantification to enhance the reliability and robustness of pre- dictions. Using synthetic data generated by the Generic Pressurized Water Reactor simulator, realistic degradation scenarios were simulated across lifecycle stages—beginning, middle, and end of life. Key variables, including differential pressure, flow rate, vibration, and temperatures, were analyzed using machine learning framework. The fully connected neural network models demonstrated exceptional performance, achieving R2 scores exceeding 0.99 and root mean square errors as low as around 8.23 × 10-2 gallon per minute (gpm) for the three stages of the lifecy- cle. UQ analysis further validated the model’s robustness, with narrow uncertainty bounds during steady-state operations and appropriately wider bounds during transitional phases, reflecting the physical behavior of the system. This work addresses important gaps in real-time condition moni- toring and regulatory compliance by integrating advanced condition monitoring technologies with UQ into IST programs. The ability to detect thermal barrier leakage early and quantify prediction reliability supports optimizing maintenance strategies while ensuring nuclear power plants’ safe and reliable operation.

99 - GENERAL AND MISCELLANEOUS↗
NASA NTRSDate not supplied

How Do Different Knowledge Frameworks Help Us Learn From Aviation Line Observations?

Human performance includes actions that increase safety, as well as actions that can reduce safety. Ensuring safety in complex dynamic operations like commercial aviation depends on the ability to institute appropriate responses based on what is learned from flightcrew performance and the contexts in which it occurs. To do this systemically at the organization level requires collecting data on flightcrew performance, developing effective approaches to analyzing those data, and understanding how to translate what has been learned into policies, procedures, and practice. Systematic observation of front-line operators is a vital source of human performance data. Much has been learned from such observations, including methodological principles. Most observations have been based on a framework focused on managing safety challenges and the ensuing unsafe events. A complementary perspective focuses on flexibility and actions that promote continued safe and effective operation. We consider lessons learned about observational methods from an established framework focused on undesired actions and how these might be extended for a framework focused on desired actions.

safety↗
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↗
DOE OSTI2025

RLMolLM: Reinforcement Learning-Enhanced Language Model Framework for Inverse Molecular Design

Inverse molecular design faces significant challenges due to vast chemical space and complex property requirements. While language models show promise for molecular generation, they struggle with validity, multi-property optimization, and structural constraints. This work presents RLMolLM, a reinforcement learning framework combining Proximal Policy Optimization (PPO) with genetic algorithms to address these limitations. Our approach optimizes multiple user-specified properties including quantitative estimates of drug-likeness (QED), synthetic accessibility (SA), and ADMET (absorption, distribution, metabolism, excretion, and toxicity) endpoints without requiring complete model retraining, while maintaining capability for scaffold-constrained generation where specific substructures must be preserved. We outperform state-of-the-art methods for molecular optimization, achieving best QED scores across GDB13, Moses, and Zinc datasets with up to 31% improvement over previous methods while maintaining excellent validity, uniqueness, and novelty metrics. For simultaneous multi-property optimization, our framework achieves substantial improvements in ADMET properties including 4.5-fold reduction in hERG toxicity and enhanced Caco-2 permeability compared to Moses dataset. Under structural constraints, the framework significantly improves molecular validity while preserving scaffolds and effectively optimizing properties. In conclusion, this versatile solution advances pharmaceutical and materials molecular design through effective integration of reinforcement learning and genetic algorithms with multi-property optimization and scaffold preservation.

Genetic algorithms↗
DOE OSTI2024

A deep learning-based Bayesian framework for high-resolution calibration of building energy models

Calibrating building energy models (BEMs), i.e., closing discrepancy between modeling and field measurements, is of significance to support its applications in building sustainability and resilience analysis. However, as being widely used in practice, current Bayesian calibration is mostly performed in low-resolution (annual or monthly), instead of high-resolution (hourly or sub-hourly), which is crucial to support emerging BEM applications, such as building-renewable energy integration (demand response) and smart control. This is attributable to the gaps in current Bayesian calibration process, including (1) difficulty in supporting reliable high-resolution calibration with over-parameterization and multi-solution issues, (2) inadequacy of meta-model to capture temporal building dynamics in high-resolution, and (3) excessive computational burdens of covariance matrix calculation in Bayesian inference. Therefore, to close these gaps, this research proposes a novel deep learning-based Bayesian calibration framework, involving pre-calibration mechanism, Long Short-Term Memory as surrogate models, and simplified covariance matrix calculation, to calibrate BEMs in high temporal resolution (i.e., hourly) with enhanced accuracy and computational efficiency. Finally, the case study demonstrates its effectiveness to match modeling outcomes with measurements and realize CV-RMSE of < 30 % and NMBE of < 6 % in hourly resolution, as well as a significant reduction of calibration time (by > 99 %, from > 600 h to ~ 1.5 h).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Developing a Deep Learning-Computer Vision Framework to Monitor Avian Interactions with Solar Energy Facility Infrastructure (Final Technical Report)

The project addressed an inability to monitor avian interactions with photovoltaic (PV) solar energy facilities necessary for understanding PV solar impacts on birds. In the project, machine-vision technology that continuously monitors avian activities at PV solar facilities was developed. The technology includes four machine-learning (ML) models, each of which accomplishes a specific task in detecting birds and classifying their activities in live or recorded videos—detecting and tracking moving objects, differentiating birds from other objects, detecting bird collisions with solar panels, and classifying non-collision bird activities around PV facilities. Major project outcomes include adoption by two of DOE SETO’s SolWEB projects, providing novel observational data on birds to promote co-location of PV solar development and habitat conservation, known as ecovoltaics.

14 SOLAR ENERGY↗
NASA NTRS2019

Developing a Machine-Learning-Based Processing Framework for Twitter and Other Crowdsourced Data

Crowdsourced data streams such as Twitter and other social media are important sources of real-time and historical global information for Earth science applications. At the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC), we have been exploring the Twitter data stream for its potential in augmenting the validation program of NASA's Global Precipitation Measurement (GPM) mission. To realize this potential, we need to increase the information density and enhance the quality of filtered precipitation tweets. We have implemented various components of a machine learning (ML)-based processing infrastructure for crowdsourced data that outputs, in this instance, useful and usable information derived from precipitation tweets. We have test enriched the Twitter stream with higher quality active tweets from those knowingly contributing to our effort and from existing crowdsourced programs (e.g., mPING, CoCoRaHS). We have experimented with various algorithms for processing tweets, including Naà ve Bayes, Convolutional Neural Network (CNN), Hierarchical Attention Network (HAN), and semi-supervised learning (with tri-training). Our current work focuses on (1) automated review of Earth science-related publications to determine relationships between discipline research needs and ML algorithms; (2) investigating Sequential Generative Adversarial Network (SeqGAN) for processing precipitation tweets for anomaly detection; and (3) managing crowdsourced data in a way that is compatible with existing NASA satellite data archives and using the data for ML applications. Key results include (1) network visualization of NLP-processed publications in various Earth science disciplines; (2) difference between GPM-linked, generated tweets and collected actual tweets that is small for GPM-determined light to moderate rain cases and high for GPM-determined heavy rain cases; and (3) identification of MongoDB for storing raw tweets and Zarr format for gridded tweets (compatible with GPM data). Our results have taken us a step closer to an operational ML-based tweet processing infrastructure and have already demonstrated that tweet-derived precipitation information is potentially useful for validation of Earth science satellite data.

Teng, William↗
DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Constraining microphysical processes of warm rain formulation using advanced spectral separations, an ensemble retrieval framework and machine learning techniques

Drizzle, a common feature of marine boundary layer clouds formed through collision coalescence, plays a key role in cloud microphysics and evolution. Yet, simultaneously retrieving cloud and drizzle properties from remote-sensing observations remains challenging because drizzle droplets often dominate radar signals, masking cloud contributions. The goal of the proposed research is to provide constraints for the process of autoconversion and accretion using ARM cloud measurements. Specifically, we provide concurrent retrievals of cloud and drizzle that allows users to derive corresponding autoconversion and accretion rates.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2022

A Framework for Deep Learning Emulation of Numerical Models With a Case Study in Satellite Remote Sensing

Numerical models based on physics represent the state of the art in Earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model resolutions overwhelms the latest generation computers, reducing the ability of modelers to generate simulations for understanding parameter sensitivities and characterizing variability and uncertainty. Thus, surrogate models are often developed to capture the essential attributes of the full-blown numerical models. Recent successes of machine learning methods, especially deep learning (DL), across many disciplines offer the possibility that complex nonlinear connectionist representations may be able to capture the underlying complex structures and nonlinear processes in Earth systems. A difficult test for DL-based emulation, which refers to function approximation of numerical models, is to understand whether they can be comparable to traditional forms of surrogate models in terms of computational efficiency while simultaneously reproducing model results in a credible manner. A DL emulation that passes this test may be expected to perform even better than simple models with respect to capturing complex processes and spatiotemporal dependencies. Here, we examine, with a case study in satellite-based remote sensing, the hypothesis that DL approaches can credibly represent the simulations from a surrogate model with comparable computational efficiency. Our results are encouraging in that the DL emulation reproduces the results with acceptable accuracy and often even faster performance. We discuss the broader implications of our results in light of the pace of improvements in high-performance implementations of DL and the growing desire for higher resolution simulations in the Earth sciences.

Bayesian Deep Learning↗
DOE OSTI2025

Next-Level Energy Management in Manufacturing: Facility-Level Energy Digital Twin Framework Based on Machine Learning and Automated Data Collection

This research introduces an energy prediction framework at the facility level supported by automated data collection and machine learning models. It investigates whether reducing the prediction time scale allows for applying more complex machine learning techniques and if those techniques improve the prediction accuracy. The primary advantages of this framework lie in its automation of the energy prediction process and its provision of real-time energy data suitable for use in energy dashboards or digital twins. A sitewide dataset was created by combining 15 min energy and daily production data of five shops—assembly, battery, body (electric), body (gas), and paint—from a globally recognized electric vehicle manufacturer. Various machine learning models were evaluated on daily, weekly, and monthly datasets, including, in increasingly complex order: naïve, simple linear regression, net regularized generalized linear regression, principal component regression, k-nearest neighbor, random forest, and Bayesian regularized neural network. Compared to the current state-of-the-art energy consumption prediction for the industrial facility level, this research investigates more complex models and smaller time intervals for higher accuracy. The findings revealed that the more complex monthly models require a minimum of a year and a half of data to operate, while weekly models demand a year of data to achieve improved accuracy. Daily models can operate with only six months of data but exhibit poor performance due to reduced prediction accuracy of production. Key challenges identified include access to reliable, high-quality energy and production data and the initial demand for human labor.

digital twin↗
NASA NTRSDate not supplied

DELTA: An Open-Source Framework to Simplify Machine Learning with Satellite Imagery

DELTA (Deep Earth Learning, Tools, and Analysis) is an open-source framework developed at NASA to simplify running and training machine learning (ML) models on satellite imagery. Users new to machine learning can run existing ML models on satellite imagery with minimal setup and configuration. For experienced ML users, DELTA helps simplify data engineering, preprocessing steps, and reduces the need for boilerplate code that needs written to make satellite imagery datasets palatable for machine learning. This lets data scientists focus on model development while DELTA handles the imagery manipulation. This presentation will demonstrate DELTA’s functionality and share some examples from an active project using it for flood mapping using imagery from multiple satellite sources.

deep learning↗
NASA NTRSDate not supplied

DELTA: An Open-Source Framework to Simplify Deep Learning with Satellite Imagery

DELTA (Deep Earth Learning, Tools, and Analysis) is an open-source framework developed at NASA for deep learning on satellite imagery based on tensorflow. It helps simplify data engineering and preprocessing steps and reduces the need for a lot of the boilerplate code that needs written to make datasets palatable for machine learning. This lets data scientists focus on model development while DELTA handles the grunt work. This presentation will demonstrate DELTA’s functionality and share some examples from an active project using it for flood mapping.

Michael von Pohle↗
DOE OSTI2026

Inverse design of hypoeutectoid pearlite steel microstructures using a deep learning and genetic algorithm optimization framework

Goal-oriented microstructure design in metallic materials is a challenging task due to complex structure-property relationships. Traditional experimental and computational approaches are time-intensive and economically inefficient, limiting their applicability for large-scale design space exploration. Here, in this work, we propose an end-to-end framework that integrates deep learning models with genetic optimization to design microstructures with targeted mechanical properties. Deep learning models enable accurate forward design, while their integration with genetic optimization enables efficient inverse design within a few hours, compared to days or weeks using conventional finite element simulations. The framework combines experimental characterization and finite element modeling to analyze the influence of microstructural features on the mechanical behavior of hypoeutectoid steels. Data from both experiments and simulations are used to train the deep learning models. To demonstrate its effectiveness, we apply the framework to 0.63% carbon steel with proeutectoid ferrite and pearlite phases, commonly used in industrial applications. In this study, 2D microstructures were used for modeling, selected primarily for computational efficiency and to establish proof of concept. The framework successfully optimizes microstructures for targeted yield strength, ultimate strength, and stress concentration factors while significantly reducing computational time. Beyond hypoeutectoid steels, this scalable framework can be extended to other material systems and integrated with additive manufacturing, offering an efficient approach for accelerating microstructure design for specific engineering applications.

ConvLSTM↗
NASA NTRSDate not supplied

DELTA: An Open-Source Framework to Simplify Machine Learning with Satellite Imagery

DELTA (Deep Earth Learning, Tools, and Analysis) is an open-source framework developed at NASA to simplify running and training machine learning (ML) models on satellite imagery. Users new to machine learning can run existing ML models on satellite imagery with minimal setup and configuration. For experienced ML users, DELTA helps simplify data engineering, preprocessing steps, and reduces the need for boilerplate code that needs written to make satellite imagery datasets palatable for machine learning. This lets data scientists focus on model development while DELTA handles the imagery manipulation. This presentation will demonstrate DELTA’s functionality and share some examples from an active project using it for flood mapping using imagery from multiple satellite sources

Michael von Pohle↗