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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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DOE OSTI2024

Automating Rabi & Ramsey Measurements via Machine Learning

As quantum computers scale up, the manual process of qubit tune-up becomes increasingly impractical due to its time-consuming and repetitive nature. While existing research has explored some automation techniques, many models remain underutilized for this purpose. This research aims to answer the question: can qubit tune-up be automated using the Long Short-Term Memory (LSTM) model? For the purposes of this project, only the rabi and ramsey measurement cycle was automated. These measurements are used to fine-tune a rough qubit frequency by repeating them until the optimal qubit frequency is obtained. The LSTM model uses the qubit frequency at one time step to forecast the qubit frequency at the next time step. A rabi-ramsey simulation was made to fabricate a dataset to train and test the LSTM model. As the model was trained, the error of the model decreased. Although there wasn't enough training data to generate perfect predictions, this shows it is possible to utilize forecasting models in automating the tune-up process.

Roberts, Rachel↗

DOE OSTI2025

Tandem Predictions for HPC Jobs: Preprint

At the core of the predictive analytics applied to High Performance Computing (HPC), the most prominent tasks are the prediction of job runtimes and the prediction of job queue times, both of which have the potential for informing HPC users during their every-day decision making. Accurate runtime predictions can help users better choose so-called wallclock times at job submission, decreasing the odds of their jobs waiting in queues longer than necessary. The accurate and timely queue time predictions offered for the available partitions can inform the favorable selection of partitions for running jobs. This potential is well understood as we see in the abundance of research studies that propose solutions for these tasks, including the work published in the last several years. These tasks are seemingly receptive to the Machine Learning (ML) solutions, considering that there is no shortage of training data where HPC centers over time run millions and millions of jobs. However, we study the existing research literature, as well as look for examples in the toolchains supported on the exemplar HPC facilities, and, surprisingly, do not find any practical solutions that are ready to be adopted. We interpret this as a manifestation of the shortage of UX/UI efforts that support HPC analytics and also as a sign that the research has not come to the consensus on solving these tasks. In this study, we aim to shed new light on the long-running task of job queue time prediction by exploring the utility of runtime predictions in improving prediction accuracy and, actually, predicting these two metrics together, in tandem. In other words, we show how runtime predictions become valuable input in the queue time modeling. We challenge the existing approaches to feature engineering for the queue time prediction and describe promising results we obtained for a large dataset of HPC jobs from a supercomputer at the National Renewable Energy Laboratory.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data

Machine-learned interatomic models represent a significant advancement in simulation methods, extending the predictive ability of first-principles methods to previously inaccessible length and time scales. However, the data-driven nature of these models can lead to difficult-to-detect errors that can compromise prediction accuracy. To address this challenge, we introduce a novel fingerprinting approach based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES) ML-IAM graph-based descriptor. Our strategy enables efficient and statistically rigorous analysis of system configurations used in ML-IAM training and those generated by their application, e.g., in molecular dynamics simulations. We demonstrate that these fingerprints can effectively assess novelty of a configuration relative to an existing data set and determine dissimilarity among individual configurations, which are two key tasks in workflows for active learning-based ML-IAM training, data set curation, and on-the-fly uncertainty quantification.

36 MATERIALS SCIENCE↗

NASA NTRS2018

Augmented Reality Data Generation for Training Deep Learning Neural Network

One of the major challenges in deep learning is retrieving sufficiently large labeled training datasets, which can become expensive and time consuming to collect. A unique approach to training segmentation is to use Deep Neural Network (DNN) models with a minimal amount of initial labeled training samples. The procedure involves creating synthetic data and using image registration to calculate affine transformations to apply to the synthetic data. The method takes a small dataset and generates a highquality augmented reality synthetic dataset with strong variance while maintaining consistency with real cases. Results illustrate segmentation improvements in various target features and increased average target confidence.

Torres, Gil↗

NASA NTRSDate not supplied

Planning Bias: Planning as a Source of Sampling Bias

Many data-driven planning methods are trained on data generated by planners. It is well known that many statistical learning methods are sensitive to sampling bias, and yet there has been little or no attention to planning as a sampling method and its role in introducing sampling bias into planner-generated training data. Recently, it has been demonstrated that A**,* in the presence of problems with variable heuristic error, prefers some solutions over other equally cost-optimal solutions. But, as we discuss in this paper, mitigation may not be as simple as resolving arbitrary tie-breaking by sampling from ties uniformly at random. In this paper, we formalize an intuition of planning bias. We focus on problems which output a single solution. Diverse planning only complicates the problem by generalizing it to bias in the set of sets; we show how it is subject to bias in the single solution. We make some useful observations about deterministic algorithms in contrast to non-deterministic algorithms. We explain how information entropy may be a good way to measure planning bias, and discuss some issues in evaluating practical approaches to measurement. We address the intuition that uniform random tiebreaking should mitigate bias; and sketch a novel approach to constructing an appropriate random distribution for duplicate detection during forward search for unbiased A*. Finally, we suggest directions for future work.

Planning Scheduling Algorithms↗

NASA NTRSDate not supplied

Flow Reconstruction in A Transonic Turbine Cascade Using Physics-Informed Neural Networks (PINNS)

This paper investigates the application of Physics-Informed Neural Networks (PINNs) for the analysis of turbine blades in a transonic cascade. The 2-D flow field in a transonic turbine cascade is reconstructed in three ways: the traditional forward approach (PINN not trained on experimental data), by training the PINN using discrete sets of experimentally measured pressure at midspan, and in the inverse sense where no inlet or outlet pressure boundary conditions are applied. Comparisons between the PINN solutions to measured data are made. This is repeated for three different turbine blades with distinct loading characteristics. Good agreement is shown between a CFD calculation of the CMC7 blade, and the PINN model trained with all data. The PINN is trained utilizing all available data, half the available data, data from only the leading edge region, and data from only the trailing edge region. The forward problem results deviate the most from experimental data but show promise. Solutions from the assisted training cases show that the PINN can reconstruct the flow field with acceptable accuracy when trained on measurements along the entire blade. In the inverse case, it is shown that to simultaneously achieve acceptable errors for inlet Mach number and outlet isentropic Mach number, the PINN must be trained on the static pressure data along the entire blade.

Machine Learning↗

DOE OSTI2026

Dense autoencoders, clustering techniques, and semi-supervised learning for HPGe $γ$-spectra

Classifying high-resolution gamma spectra by their isotopic content is an essential task in nuclear forensics and other applications. Traditional analysis methods are often time-intensive, but machine learning (ML) may help analysts quickly process many spectra. Such methods tend to rely on abundant, well-labeled data for training. Historical gamma data exists in various fields but is not uniformly useful for supervised ML due to inconsistent labeling. Here, to address some of these challenges, we present a method to classify and organize unlabeled data from high-purity germanium detectors using an autoencoding neural network (autoencoder). We trained dense autoencoders to compress gamma data into latent representations that enable efficient data characterization. By clustering the encoded spectra or lower-dimensional mappings of them, we identified and removed portions of over-abundant data categories, resulting in a more balanced dataset and improved autoencoder performance. This encoding and clustering pipeline also enabled the organization of spectra into self-consistent categories. Finally, we found that encoded representations showed potential as inputs for semi-supervised learning of nuclide identification (NID) labels, achieving an average F1 score of 0.85 ± 0.03 when mapping encodings to a set of 65 isotope labels.

Autoencoders↗

DOE OSTI2024

MSD CoP Webinar: AI and Extreme Events - Overcoming Data Challenges for Improved Characterization of Climate Extremes

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Artificial Intelligence (AI) models require large volumes of data for training and testing. Data requirements present challenges for using AI to explore extreme events with limited observational data. This webinar will showcase two innovative methods developed by part of the European Climate Intelligence (CLINT) project to overcome data challenges and harness AI to improve our understanding of climate extremes. Dr. Ascenso will present his research on data augmentation methods to improve estimates of tropical cyclones using satellite data. His presentation will review established methods for data augmentation and explore opportunities and challenges for using generative AI to generate images of extreme, life-threatening tropical cyclones. Next, Dr. Plesiat will present his research on deep learning techniques to overcome limited observational data sets. His presentation will illustrate deep learning methods to develop AI reconstructions of four climate indices across Europe. Presenters : Dr. Guido Ascenso (post-doctoral researcher, Politecnico di Milano); Dr. Étienne Plésiat (German Climate Computing Centre - DKRZ) Moderator(s): Stefano Galelli (MSD CoP WG Co-Lead), David Gold (MSD CoP WG Co-Lead), Jillian Sturtevant (MSD CoP WG Communications Officer), Matteo Giuliani (Politecnico di Milano, MSD CoP WG Member, Moderator and Organizer) This webinar was held on: October 11, 2024 from 11AM - 1PM ET

AI↗

NASA NTRS2012

Aircraft Anomaly Detection Using Performance Models Trained on Fleet Data

This paper describes an application of data mining technology called Distributed Fleet Monitoring (DFM) to Flight Operational Quality Assurance (FOQA) data collected from a fleet of commercial aircraft. DFM transforms the data into aircraft performance models, flight-to-flight trends, and individual flight anomalies by fitting a multi-level regression model to the data. The model represents aircraft flight performance and takes into account fixed effects: flight-to-flight and vehicle-to-vehicle variability. The regression parameters include aerodynamic coefficients and other aircraft performance parameters that are usually identified by aircraft manufacturers in flight tests. Using DFM, the multi-terabyte FOQA data set with half-million flights was processed in a few hours. The anomalies found include wrong values of competed variables, (e.g., aircraft weight), sensor failures and baises, failures, biases, and trends in flight actuators. These anomalies were missed by the existing airline monitoring of FOQA data exceedances.

Gorinevsky, Dimitry↗

NASA NTRS2016

Client-Side Data Processing and Training for Multispectral Imagery Applications in the GOES-R Era

RGB imagery can be created locally (i.e. client-side) from single band imagery already on the system with little impact given recommended change to texture cache in AWIPS II. Training/Reference material accessible to forecasters within their operational display system improves RGB interpretation and application as demonstrated at OPG. Application examples from experienced forecasters are needed to support the larger community use of RGB imagery and these can be integrated into the user's display system.

VIIRS↗

NASA NTRS2023

Bhutan Agriculture III: Monitoring Cropland Changes in Bhutan using Remote Sensing to Bolster Food Security and Support Crop Monitoring

The Bhutan Agriculture III team aimed to improve agricultural efficiency in Bhutan. Bhutan is a nation heavily reliant on agriculture, but it faces challenges such as geophysical limitations and lack of scientific agricultural practice. The team partnered with a primary end user, Bhutan’s Department of Agriculture (DoA), and with collaborators; the Bhutan Foundation, National Plant Protection Centre (NPPC), Agricultural Research Department Centre (ARDC), National Statistics Bureau (NSB), and the Ugyen Wangchuck Institute for Conservation and Environment Research (UWICER). Advised by NASA SERVIR, the team developed crop masks and monitored rice distribution from 2015 to 2022 utilizing Earth observations such as Landsat 8 Operational Land Imager (OLI), Landsat 9 OLI-2, Sentinel-1 C-Band Synthetic Aperture Radar (C-SAR), Sentinel-2 MultiSpectral Instrument (MSI) and Shuttle Radar Topography Mission (SRTM). The team gathered 5,000 points from the five dzongkhags that yield the most rice in Bhutan (Paro, Punakha, Samtse, Sarpang and Wangue Phodrang) using Collect Earth Online (CEO). With the data collected, the team split the data into training and validation data on Google Earth Engine (GEE) for a random forest (RF) classifier for rice and non-rice classification. After running the data on the Random Forest (RF) model, the team got an accuracy score of 81.48%, a kappa score of 55.75% and an F1 score of 86.11%. This data supports better agricultural decision-making for the governing body of Bhutan, helps enhance farming efficiency and foster sustainable practices, assists in overcoming data inaccuracy and bolsters food security in the country.

Sonam Seldon Tshering↗

NASA NTRS2017

Training, Retention, and Transfer of Data Entry Perceptual and Motoric Processes Over Long Retention Intervals

Subjects trained in a standard data entry task, which involved typing numbers (e.g., 5421) using their right hands. At test (6 months post-training), subjects completed the standard task, followed by a left-hand variant (typing with their left hands) that involved the same perceptual, but different motoric, processes as the standard task. At a second test (8 months post-training), subjects completed the standard task, followed by a code variant (translating letters into digits, then typing the digits with their right hands) that involved different perceptual, but the same motoric, processes as the standard task. For each of the three tasks, half the trials were trained numbers (old) and half were new. Repetition priming (faster response times to old than new numbers) was found for each task. Repetition priming for the standard task reflects retention of trained numbers; for the left-hand variant reflects transfer of perceptual processes; and for the code variant reflects transfer of motoric processes. There was thus evidence for both specificity and generalizability of training data entry perceptual and motoric processes over very long retention intervals.

dat↗

NASA NTRSDate not supplied

Unreal Engine Testbed for Computer Vision of Tall Lunar Tower Assembly

The Tall Lunar Tower project at the NASA Langley Research Center is focused on the design, modeling, fabrication, and testing of a supervised autonomously assembly engineering development unit for tall lunar towers. The lunar south pole environment poses many challenges for robotic assembly of the tall tower, particularly to computer vision camera systems due to a high-contrast lighting environment. This paper will present an Unreal Engine 5 video game engine Lunar South Pole Lighting Testbed to simulate realistic lunar lighting conditions for synthetic image generation. The fidelity of the simulation environment is investigated by comparing the accuracy of computer vision models trained using synthetic image data and trained from real image data collected in a lunar analog environment.

Unreal Engine↗

NASA NTRSDate not supplied

Unreal Engine Testbed for Computer Vision of Tall Lunar Tower Assembly

The Tall Lunar Tower project at the NASA Langley Research Center is focused on the design, modeling, fabrication, and testing of a supervised autonomously assembled engineering development unit for tall lunar towers. The lunar south pole environment poses many challenges for robotic assembly of the tall tower, particularly to computer vision camera systems due to a high-contrast lighting environment. This paper will present an Unreal Engine 5 video game engine Lunar South Pole Lighting Testbed to simulate realistic lunar lighting conditions for synthetic image generation. The fidelity of the simulation environment is investigated by comparing the accuracy of computer vision models trained using synthetic image data and trained from real image data collected in a lunar analog environment.

Unreal Engine↗

NASA NTRS2023

Unreal Engine Testbed for Computer Vision of Tall Lunar Tower Assembly

Unreal Engine↗

NASA NTRS2010

Confidence-Based Feature Acquisition

Confidence-based Feature Acquisition (CFA) is a novel, supervised learning method for acquiring missing feature values when there is missing data at both training (learning) and test (deployment) time. To train a machine learning classifier, data is encoded with a series of input features describing each item. In some applications, the training data may have missing values for some of the features, which can be acquired at a given cost. A relevant JPL example is that of the Mars rover exploration in which the features are obtained from a variety of different instruments, with different power consumption and integration time costs. The challenge is to decide which features will lead to increased classification performance and are therefore worth acquiring (paying the cost). To solve this problem, CFA, which is made up of two algorithms (CFA-train and CFA-predict), has been designed to greedily minimize total acquisition cost (during training and testing) while aiming for a specific accuracy level (specified as a confidence threshold). With this method, it is assumed that there is a nonempty subset of features that are free; that is, every instance in the data set includes these features initially for zero cost. It is also assumed that the feature acquisition (FA) cost associated with each feature is known in advance, and that the FA cost for a given feature is the same for all instances. Finally, CFA requires that the base-level classifiers produce not only a classification, but also a confidence (or posterior probability).

Wagstaff, Kiri L.↗

DOE OSTI2025

Scalability analysis of heavy-duty gas turbines using data-driven machine learning

With the increasing integration of variable renewable energy sources into power systems, the role of flexible power generation technologies like gas turbines (GT) in rapid grid balancing remains crucial. This sustained importance underscores the need for scaled and precise modeling of GT to ensure effective integration within evolving energy frameworks. While physics-driven GT models integrate thermodynamics, fluid dynamics, and combustion principles, they often rely on approximate mathematical representations to accommodate scaling that may not capture the actual complex dynamics for GTs and inertial effects associated to GTs with different ratings. In this study, a data-driven model is proposed using machine learning (ML) techniques to conduct GT scalability analysis and performance evaluation with high accuracy. The ML model, trained on data from various operating conditions and performance parameters, aims to uncover intricate relationships and patterns, resembling GT characteristics at different scales (ratings). The model is developed to capture complex system interaction and to adapt to changing operational scenarios at different capacities, providing valuable insights of power system dynamics. In this study, the real-time digital simulator platform was employed to generate training data for the ML model and assess its dynamic characteristics. The ultimate objective was to develop a detailed modeling framework based on governing equations and data-driven ML capable of predicting key performance indicators, in thermal systems such as GTs, including power output, speed, fuel consumption, and exhaust temperature under diverse operating conditions at different scales. The developed ML framework demonstrated high accuracy, with mean relative errors for GT power prediction, reference speed, exhaust temperature, and compressor pressure ratio (CPR) parameters consistently below 0.1% across typical load fluctuation scenarios. Maximum deviations were limited to approximately 0.5 K for exhaust temperature and 0.009 for CPR, underscoring the model’s ability to replicating dynamic GT behavior with high precision. The adaptability of the ML model enables its application across diverse operational conditions and its extension to other thermal systems. By leveraging advanced ML techniques, this study presents a robust and scalable modeling framework that enhances GT simulation precision, facilitating improved integration into evolving power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data

Machine learning (ML) provides a great opportunity for the construction of models with improved accuracy in classical molecular dynamics (MD). However, the accuracy of a ML trained model is limited by the quality and quantity of the training data. Generating large sets of accurate ab initio training data can require significant computational resources. Furthermore, inconsistent or incompatible data with different accuracies obtained using different methods may lead to biased or unreliable ML models that do not accurately represent the underlying physics. Recently, transfer learning showed its potential for avoiding these problems as well as for improving the accuracy, efficiency, and generalization of ML models using multifidelity data. In this work, ab initio trained ML-based MD (aML-MD) models are developed through transfer learning using DFT and multireference data from multiple sources with varying accuracy within the Deep Potential MD framework. Further, the accuracy of the force field is demonstrated by calculating rate constants for the H + HO 2 → H 2 + 3 O 2 reaction using quasi-classical trajectories. We show that the aML-MD model with transfer learning can accurately predict the rate constants while reducing the computational cost by more than five times compared to the use of more expensive quantum chemistry training data sets. Hence, the aML-MD model with transfer learning shows great potential in using multifidelity data to reduce the computational cost involved in generating the training set for these potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗