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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

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NASA NTRS2011

Collaborative Supervised Learning for Sensor Networks

Collaboration methods for distributed machine-learning algorithms involve the specification of communication protocols for the learners, which can query other learners and/or broadcast their findings preemptively. Each learner incorporates information from its neighbors into its own training set, and they are thereby able to bootstrap each other to higher performance. Each learner resides at a different node in the sensor network and makes observations (collects data) independently of the other learners. After being seeded with an initial labeled training set, each learner proceeds to learn in an iterative fashion. New data is collected and classified. The learner can then either broadcast its most confident classifications for use by other learners, or can query neighbors for their classifications of its least confident items. As such, collaborative learning combines elements of both passive (broadcast) and active (query) learning. It also uses ideas from ensemble learning to combine the multiple responses to a given query into a single useful label. This approach has been evaluated against current non-collaborative alternatives, including training a single classifier and deploying it at all nodes with no further learning possible, and permitting learners to learn from their own most confident judgments, absent interaction with their neighbors. On several data sets, it has been consistently found that active collaboration is the best strategy for a distributed learner network. The main advantages include the ability for learning to take place autonomously by collaboration rather than by requiring intervention from an oracle (usually human), and also the ability to learn in a distributed environment, permitting decisions to be made in situ and to yield faster response time.

Wagstaff, Kiri L.↗

NASA NTRS2015

Lunar and Meteorite Sample Disk for Educators

NASA Johnson Space Center (JSC) has the unique responsibility to curate NASA's extraterrestrial samples from past and future missions. Curation includes documentation, preservation, preparation and distribution of samples for research, education and public outreach. Between 1969 and 1972 six Apollo missions brought back 382 kilograms of lunar rocks, core and regolith samples, from the lunar surface. JSC also curates meteorites collected from a US cooperative effort among NASA, the National Science Foundation (NSF) and the Smithsonian Institution that funds expeditions to Antarctica. The meteorites that are collected include rocks from Moon, Mars, and many asteroids including Vesta. The sample disks for educational use include these different samples. Active relevant learning has always been important to teachers and the Lunar and Meteorite Sample Disk Program provides this active style of learning for students and the general public. The Lunar and Meteorite Sample Disks permit students to conduct investigations comparable to actual scientists. The Lunar Sample Disk contains 6 samples; Basalt, Breccia, Highland Regolith, Anorthosite, Mare Regolith and Orange Soil. The Meteorite Sample Disk contains 6 samples; Chondrite L3, Chondrite H5, Carbonaceous Chondrite, Basaltic Achondrite, Iron and Stony-Iron. Teachers are given different activities that adhere to their standards with the disks. During a Sample Disk Certification Workshop, teachers participate in the activities as students gain insight into the history, formation and geologic processes of the moon, asteroids and meteorites.

Foxworth, Suzanne↗

NASA NTRSDate not supplied

Improved tropical deep convective cloud detection using MODIS observations with an active sensor trained machine learning algorithm

Explore the source record for details and available documents.

Kang Yang↗

NASA NTRS2019

Understanding Heating in Active Region Cores through Machine Learning. I. Numerical Modeling and Predicted Observables

To adequately constrain the frequency of energy deposition in active region cores in the solar corona, systematic comparisons between detailed models and observational data are needed. In this paper, we describe a pipeline for forward modeling active region emission using magnetic field extrapolations and field-aligned hydrodynamic models. We use this pipeline to predict time-dependent emission from active region NOAA 1158 for low-, intermediate-, and high-frequency nanoflares. In each pixel of our predicted multi-wavelength, time-dependent images, we compute two commonly used diagnostics: the emission measure slope and the time lag. We find that signatures of the heating frequency persist in both of these diagnostics. In particular, our results show that the distribution of emission measure slopes narrows and the mean decreases with decreasing heating frequency and that the range of emission measure slopes is consistent with past observational and modeling work. Furthermore, we find that the time lag becomes increasingly spatially coherent with decreasing heating frequency while the distribution of time lags across the whole active region becomes more broad with increasing heating frequency. In a follow-up paper, we train a random forest classifier on these predicted diagnostics and use this model to classify real observations of NOAA 1158 in terms of the underlying heating frequency.

UV radiation↗

NASA NTRS1983

The quiescent chromospheres and transition regions of active dwarf stars - What are we learning from recent observations and models?

Progress in understanding active dwarf stars based on recent IUE, Einstein, and ground-based observations is reviewed. The extent of magnetic field control over nonflare phenomena in active dwarf stars is considered, and the spatial homogeneity and time variability of active dwarf atmospheres is discussed. The possibility that solar like flux tubes can explain enhanced heating in active dwarf stars in examined, and the roles of systematic flows in active dwarf star atmospheres are considered. The relation between heating rates in different layers of active dwarf stars is summarized, and the mechanism of chromosphere and transition region heating in these stars are discussed. The results of one-component and two-component models of active dwarf stars are addressed.

Linsky, J. L.↗

NASA NTRS1998

The Process of Science Communications at NASA/Marshall Space Flight Center

The communication of new scientific knowledge and understanding is an integral component of science research, essential for its continued survival. Like any learning- based activity, science cannot continue without communication between and among peers so that skeptical inquiry and learning can take place. This communication provides necessary organic support to maintain the development of new knowledge and technology. However, communication beyond the peer-community is becoming equally critical for science to survive as an enterprise into the 21st century. Therefore, scientists not only have a 'noble responsibility' to advance and communicate scientific knowledge and understanding to audiences within and beyond the peer-community, but their fulfillment of this responsibility is necessary to maintain the survival of the science enterprise. Despite the critical importance of communication to the viability of science, the skills required to perform effective science communications historically have not been taught as a part of the training of scientist, and the culture of science is often averse to significant communication beyond the peer community. Thus scientists can find themselves ill equipped and uncomfortable with the requirements of their job in the new millennium. At NASA/Marshall Space Flight Center, we have developed and implemented an integrated science communications process, providing an institutional capability to help scientist accurately convey the content and meaning of new scientific knowledge to a wide variety of audiences, adding intrinsic value to the research itself through communication, while still maintaining the integrity of the peer-review process. The process utilizes initial communication through the world-wide web at the site http://science.nasa.gov to strategically leverage other communications vehicles and to reach a wide-variety of audiences. Here we present and discuss the basic design of the science communications process, now in operation for nearly two years. Serving scientists in Earth Science, Microgravity Science, and Space Science. Critical features of the design are illustrated, and essential skills required to operate the process are defined. Measures of success will also be presented.

Horack, John M.↗

NASA NTRS1998

The Process of Science Communications at NASA/Marshall Space Flight Center

Horack, John M.↗

NASA NTRSDate not supplied

Advancement of Deep Learning and Geometric Methods for Active Terrain Relative Navigation

To enhance NASA’s precision landing capabilities, in conjunction with the development of a novel active terrain relative navigation (ATRN) and terrain mapping system, denoted SHERIF, this work performed a comparative analysis between both deep-learning (DL) based and geometric approaches to hazard detection (HD) and safe-site-identification (SSI) through hardware-in-the loop testing on the Six degree-of-freedom Tendon Actuated Robot (STAR). The Standalone Hazard Evaluation and Refinement using Instrument Findings (SHERIF) system is capable of ingesting sensor data at an asynchronous rate, stitching successive terrain scans together to yield a high-resolution digital elevation map (DEM), performing absolute and relative localization using novel 3D feature extraction and matching methods, and HD/SSI activities. The DL-based HD/SSI algorithm provides a modular alternative to classical geometric approaches which have performance times that scale with map resolution. As the adoption of AI solutions become more prevalent for autonomous system decision making, it is prudent to explore the utility of such solutions in applications where they traditionally excel, such as image classification. Along with the development of a DL-based HD system, this work performed the first comparative analysis between DL and geometric approaches to HD/SSI using real sensor data from real-time testing in a relevant environment.

Davis Adams↗

NASA NTRS2017

Lessons Learned: Mechanical Component and Tribology Activities in Support of Return to Flight

The February 2003 loss of the Space Shuttle Columbia resulted in NASA Management revisiting every critical system onboard this very complex, reusable space vehicle in a an effort to Return to Flight. Many months after the disaster, contact between NASA Johnson Space Center and NASA Glenn Research Center evolved into an in-depth assessment of the actuator drive systems for the Rudder Speed Brake and Body Flap Systems. The actuators are CRIT 1-1 systems that classifies them as failure of any of the actuators could result in loss of crew and vehicle. Upon further evaluation of these actuator systems and the resulting issues uncovered, several research activities were initiated, conducted, and reported to the NASA Space Shuttle Program Management. The papers contained in this document are the contributions of many researchers from NASA Glenn Research Center and Marshall Space Flight Center as part of a Lessons Learned on mechanical actuation systems as used in space applications. Many of the findings contained in this document were used as a basis to safely Return to Flight for the remaining Space Shuttle Fleet until their retirement.

Tribology↗

DOE OSTI2026

Benchmarking the performance of uncertainty quantification methods for neural network-based interatomic potentials

Machine-learned interatomic potentials (ML-IAPs) continue to gain popularity as accurate, computationally efficient replacements for traditional, physics-based interatomic potentials and expensive ab initio methods. Uncertainty quantification (UQ) of ML-IAPs is a growing area of research as UQ is critical in many applications of IAPs, such as developing curated datasets, active learning-based data augmentation, self-improving models, and estimating the uncertainty of molecular dynamics simulations. In this paper, we construct and benchmark a series of different neural network potentials (NNPs) with varying network architectures to determine the performance of these models with respect to both the mean and uncertainty calibration error. Each NNP method is specifically designed to predict either epistemic or aleatoric uncertainty with particular focus on the differences in behavior between the epistemic and aleatoric uncertainty estimates. We benchmark these methods using multiple datasets common in the ML-IAP literature. The results show that the aleatoric uncertainty from single-shot model architectures is a competitive alternative to ensemble-based epistemic uncertainty predictions in regions of sufficient data-density. However, in regions where the representative data is sparse, aleatoric uncertainty models tend to overpredict and epistemic methods tend to underpredict the actual model error. We conclude that the type of UQ is crucial when discussing performance of probabilistic model results as different methods have different performance characteristics depending on the regime in which they are evaluated. Therefore, the type of UQ method should be carefully evaluated against both the data characteristics and requirements for the intended application.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

OASIS: Offsetting Active Reconstruction Attacks in Federated Learning

Federated Learning (FL) has garnered significant attention for its potential to protect user privacy while enhancing model training efficiency. For that reason, FL has found its use in various domains, from health care to industrial engineering, especially where data cannot be easily exchanged due to sensitive information or privacy laws. However, recent research has demonstrated that FL protocols can be easily compromised by active reconstruction attacks executed by dishonest servers. These attacks involve the malicious modification of global model parameters, allowing the server to obtain a verbatim copy of users' private data by inverting their gradient updates. Tackling this class of attack remains a crucial challenge due to the strong threat model. In this paper, we propose a defense mechanism, namely OASIS, based on image augmentation that effectively counteracts active reconstruction attacks while preserving model performance. We first uncover the core principle of gradient inversion that enables these attacks and theoretically identify the main conditions by which the defense can be robust regardless of the attack strategies. We then construct our defense with image augmentation showing that it can undermine the attack principle. Comprehensive evaluations demonstrate the efficacy of the defense mechanism highlighting its feasibility as a solution.

deep neural networks↗

DOE OSTI2026

Multiomics and deep learning dissect regulatory syntax in human development

Transcription factors establish cell identity during development by binding regulatory DNA in a sequence-specific manner, often promoting local chromatin accessibility and regulating gene expression1. Mapping accessible chromatin offers critical insights into transcriptional control, but available datasets for human development are restricted to bulk tissue, single organs or single modalities2. Here we present the Human Development Multiomic Atlas, a single-cell atlas of chromatin accessibility and gene expression from 817,740 fetal cells across 12 organs, spanning 203 cell types and more than 1 million candidate cis-regulatory elements, many of which exhibit organ-specific in vivo enhancer activity. Deep learning models trained to predict accessibility from local DNA sequence unravel a comprehensive lexicon of motifs that influence accessibility, including composite motifs exhibiting distinct syntactic constraints that are predicted to mediate transcription factor cooperativity. We identify ‘hard’ syntactic rules requiring precise motif spacing and orientation, ‘soft’ rules allowing flexible motif arrangements, and ubiquitous motifs inhibiting accessibility. Model-based interpretation of genetic variants reveals that disruption of motifs with positive and negative effects is associated with concordant effects on gene expression. Our work delineates how motif syntax governs cell-type-specific chromatin accessibility and provides a foundational resource for decoding cis-regulatory logic and interpreting genetic variation during human development.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Multi‐Scale Model‐Informed Deep Learning for Plasma‐Nanoparticle Interaction

The Overarching Goal of this proposed research is to understand and quantitively determine the interactions between non-thermal plasma (hot electrons, reactive radicals, vibrationally excited species) and surface reactions on influencing the activity and selectivity of the desired reactions via developing multi-scale model informed deep learning algorithm. Investigating non-thermal plasma-surface interaction is feasible due to the low bulk temperature in the discharge region. To investigate the role of plasma-nanoparticle interaction on enhancing the reaction kinetics, we will focus on ammonia cracking to generate clean hydrogen over earth-abundant, non-critical metallic nanoparticles, which is of great significance for decarbonization. We hypothesize that (1) reactive radicals interacting with surface reaction species via Eley–Rideal mechanism will significantly lower the energetics of the potential rate-limiting step of nitrogen formation; (2) the surface will be charged heterogeneously under non-thermal plasma conditions and the charged site will lower the energetics of ammonia cracking through Langmuir– Hinshelwood mechanism; (3) vibrationally excited ammonia will further promote the initial N-H bond cleavage. To access the hypothesis, we will (1) reveal the surface charge effects on tunning the reaction energetics via interpretable, physics-informed deep learning accelerated density functional theory (DFT) calculations; (2) determine the reactive radicals interacting with surface reaction species on tuning the reaction energetics via DFT; (3) reveal the surface charge effects on tunning the reaction energetics via DFT and deep learning models, (4) quantify how vibrationally excited species, reactive radicals, and surface charging effects on enhancing the catalysis via developing DFT-based microkinetic modeling (MKM) and active learning. Deep and active learning of plasma-nanoparticle interactions effects on enhancing ammonia cracking to generate hydrogen represents a new paradigm for designing high performance plasma materials. The fundamental science of how plasma-nanoparticle interactions will change the plasma kinetics and will improve the energy efficiency for decarbonization and sustainability. The interpretable and physics-informed machine learning model will accelerate low temperature plasma chemistry and material discovery with physics rules and model interpretation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Atomic Energy Accuracy of Neural Network Potentials: Harnessing Pretraining and Transfer Learning

Machine learning-based interatomic potentials (MLIPs) have transformed the prediction of potential energy surfaces (PESs), achieving accuracy comparable to ab initio calculations. However, atomic energy predictions, often assumed to lack physical meaning, remain underexplored. In this study, we demonstrate that inaccuracies in atomic energy predictions reduce the robustness and transferability of Neural Network Potentials (NNPs) and atomic energy error can be masked in total energy predictions due to error cancellation. Here, we validate this finding using challenging configurations involving deformation and failure under tensile loading. By pretraining atomic energy predictions using empirical potentials and applying transfer learning with density functional theory (DFT) data, we achieve notable improvements in the accuracy of total energy, forces, and stress predictions. Furthermore, this approach enhances the robustness and transferability of NNPs, emphasizing the importance of atomic energy predictions in developing high-quality and reliable MLIPs.

Active Learning↗

DOE OSTI2024

Accelerating the design of lattice structures using machine learning

Lattices remain an attractive class of structures due to their design versatility; however, rapidly designing lattice structures with tailored or optimal mechanical properties remains a significant challenge. With each added design variable, the design space quickly becomes intractable. To address this challenge, research efforts have sought to combine computational approaches with machine learning (ML)-based approaches to reduce the computational cost of the design process and accelerate mechanical design. While these efforts have made substantial progress, significant challenges remain in (1) building and interpreting the ML-based surrogate models and (2) iteratively and efficiently curating training datasets for optimization tasks. Here, we address the first challenge by combining ML-based surrogate modeling and Shapley additive explanation (SHAP) analysis to interpret the impact of each design variable. We find that our ML-based surrogate models achieve excellent prediction capabilities (R 2 > 0.95) and SHAP values aid in uncovering design variables influencing performance. We address the second challenge by utilizing active learning-based methods, such as Bayesian optimization, to explore the design space and report a 5 × reduction in simulations relative to grid-based search. Collectively, these results underscore the value of building intelligent design systems that leverage ML-based methods for uncovering key design variables and accelerating design.

36 MATERIALS SCIENCE↗

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↗

DOE OSTI2023

Hybrid Data‐Driven Discovery of High‐Performance Silver Selenide‐Based Thermoelectric Composites

Optimizing material compositions often enhances thermoelectric performances. However, the large selection of possible base elements and dopants results in a vast composition design space that is too large to systematically search using solely domain knowledge. To address this challenge, a hybrid data-driven strategy that integrates Bayesian optimization (BO) and Gaussian process regression (GPR) is proposed to optimize the composition of five elements (Ag, Se, S, Cu, and Te) in AgSe-based thermoelectric materials. Data is collected from the literature to provide prior knowledge for the initial GPR model, which is updated by actively collected experimental data during the iteration between BO and experiments. Within seven iterations, the optimized AgSe-based materials prepared using a simple high-throughput ink mixing and blade coating method deliver a high power factor of 2100 µW m −1 K −2 , which is a 75% improvement from the baseline composite (nominal composition of Ag 2 Se 1 ). In conclusion, the success of this study provides opportunities to generalize the demonstrated active machine learning technique to accelerate the development and optimization of a wide range of material systems with reduced experimental trials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Tailoring Molecular Space to Navigate Phase Complexity in Cs-Based Quasi-2D Perovskites via Gated-Gaussian-Driven High-Throughput Discovery

Cesium-based quasi-2D halide perovskites (HPs) offer promising functionalities and low-temperature manufacturability, suited to stable tandem photovoltaics. However, the chemical interplays between the molecular spacers and the inorganic building blocks during crystallization cause substantial phase complexities in the resulting matrices. To successfully optimize and implement the quasi-2D HP functionalities, a systematic understanding of spacer chemistry, along with the seamless navigation of the inherently discrete molecular space, is necessary. Herein, by utilizing high-throughput automated experimentation, the phase complexities in the molecular space of quasi-2D HPs are explored, thus identifying the chemical roles of the spacer cations on the synthesis and functionalities of the complex materials. Furthermore, a novel active machine learning algorithm leveraging a two-stage decision-making process, called gated Gaussian process Bayesian optimization is introduced, to navigate the discrete ternary chemical space defined with two distinctive spacer molecules. Through simultaneous optimization of photoluminescence intensity and stability that “tailors” the chemistry in the molecular space, a ternary-compositional quasi-2D HP film realizing excellent optoelectronic functionalities is demonstrated. Finally, this work not only provides a pathway for the rational and bespoke design of complex HP materials but also sets the stage for accelerated materials discovery in other multifunctional systems.

36 MATERIALS SCIENCE↗