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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Scaling Inference Using Triton to Accelerate Particle Physics at the LHC and DUNE

DUNE and the LHC experiments consist of unique and cutting-edge particle detectors that create massive, complex, and rich datasets with billions of events. They require sophisticated algorithms to reconstruct and interpret the data. Modern machine learning algorithms provide a powerful toolset to detect and classify particles, from familiar image processing convolutional neural networks to newer graph neural network architectures. A full reconstruction of these particle collisions requires novel approaches to handle the computing challenge of processing so much raw data. In a series of studies, physicists from Fermilab, CERN, and university groups explored how to accelerate their data processing using the Triton Inference Server.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

High precision control and deep learning-based corn stand counting algorithms for agricultural robot

This paper presents high precision control and deep learning-based corn stand counting algorithms for a low-cost, ultra-compact 3D printed and autonomous field robot for agricultural operations. Currently, plant traits, such as emergence rate, biomass, vigor, and stand counting, are measured manually. This is highly labor-intensive and prone to errors. The robot, termed TerraSentia, is designed to automate the measurement of plant traits for efficient phenotyping as an alternative to manual measurements. In this paper, we formulate a Nonlinear Moving Horizon Estimator that identifies key terrain parameters using onboard robot sensors and a learning-based Nonlinear Model Predictive Control that ensures high precision path tracking in the presence of unknown wheel-terrain interaction. Moreover, we develop a machine vision algorithm designed to enable an ultra-compact ground robot to count corn stands by driving through the fields autonomously. The algorithm leverages a deep network to detect corn plants in images, and a visual tracking model to re-identify detected objects at different time steps. We collected data from 53 corn plots in various fields for corn plants around 14 days after emergence (stage V3 - V4). The robot predictions have agreed well with the ground truth with C robot =1.02×C human -0.86 and a correlation coefficient R=0.96. The mean relative error given by the algorithm is -3.78%, and the standard deviation is 6.76%. These results indicate a first and significant step towards autonomous robot-based real-time phenotyping using low-cost, ultra-compact ground robots for corn and potentially other crops.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Physics-Informed Machine Learning for Epidemiological Models

One challenge of using compartmental SEIR models for public health planning is the difficulty in manually tuning parameters to capture behavior reflected in the real-world data. This team conducted initial, exploratory analysis of a novel technique to use physics-informed machine learning tools to rapidly develop data-driven models for physical systems. This machine learning approach may be used to perform data assimilation of compartment models which account for unknown interactions between geospatial domains (i.e. diffusion processes coupling across neighborhoods/counties/states/etc.). Results presented here are early, proof-of-concept ideas that demonstrate initial success in using a physically informed neural network (PINN) model to assimilate data in a compartmental epidemiology model. The results demonstrate initial success and warrant further research and development.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1993

Newly available technologies present expanding opportunities for scientific and technical information exchange

The potential for expanded communication among researchers, scholars, and students is supported by growth in the capabilities for electronic communication as well as expanding access to various forms of electronic interchange and computing capabilities. Increased possibilities for information exchange, collegial dialogue, collaboration, and access to remote resources exist as high-speed networks, increasingly powerful workstations, and large, multi-user computational facilities are more frequently linked and more commonly available. Numerous writers speak of the telecommunications revolution and its impact on the development and dissemination of knowledge and learning. One author offers the phrase 'Scholarly skywriting' to represent a new form of scientific communication that he envisions using electronic networks. In the United States (U.S.), researchers associated with the National Science Foundation (NSF) are exploring 'nationwide collaboratories' and 'digital collaboration.' Research supported by the U.S. National Aeronautics and Space Administration (NASA) points to a future where workstations with built-in audio, video monitors, and screen sharing protocols are used to support collaborations with colleagues located throughout the world. Instruments and sensors located worldwide will produce data streams that will be brought together, analyzed, and distributed as new findings. Researchers will have access to machines that can supply domain-specific information in addition to locator and directory assistance. New forms of electronic journals will emerge and provide opportunities for researchers and scientists to exchange information electronically and interactively in a range of structures and formats. Ultimately, the wide-scale use of these technologies in the dissemination of research results and the stimulation of collegial dialogue will change the way we represent and express our knowledge of the world. A new paradigm will evolve--perhaps a truly worldwide 'invisible college.'

Tolzman, Jean M.↗
DOE OSTI2021

Deep Learning Estimation of Daily Ground–Level NO 2 Concentrations from Remote Sensing Data

The limited number of nitrogen dioxide (NO 2 ) surface measurements calls for the development of highly accurate approaches to estimating surface NO 2 concentrations. In this study, we leverage a new satellite instrument, the TROPOspheric Monitoring Instrument (TROPOMI), along with other predictor variables, to estimate daily surface NO 2 concentrations over Texas in 2019. We use the deep convolutional neural network (Deep-CNN), an advanced deep learning algorithm, to obtain estimates and achieve a correlation coefficient (R) of 0.91, an index of agreement (IOA) of 0.95, and a mean absolute bias (MAB) of 1.75 ppb in surface NO 2 estimation. Additionally, we leverage a novel approach, SHapley Additive exPlanations (SHAP), to describe how Deep-CNN understands each predictor variable. The SHAP results show that the Deep-CNN model has an advanced understanding of the dataset, revealing that TROPOMI closely captures levels of NO 2 . In addition, we show the superiority of our Deep-CNN model at estimating surface NO 2 over other well-known machine learning and regression models in the field, including the support vector machines (SVM), random forest (RF), and multiple linear regression (MLR). Although SVM and RF show strong capabilities at estimating surface NO 2 concentrations, their accuracy is inferior to that of the Deep-CNN model, ranking second and third in model accuracy in this study. The MLR, however, shows a poor ability at NO 2 estimation and ranks last among all models. Furthermore, testing the impact of sample size on model performance, we also show that, compared to other models, Deep-CNN needs more samples to trigger its strength at surface NO 2 estimation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Implicit learning of convective organization explains precipitation stochasticity

Accurate prediction of precipitation intensity is crucial for both human and natural systems, especially in a warming climate more prone to extreme precipitation. Yet, climate models fail to accurately predict precipitation intensity, particularly extremes. One missing piece of information in traditional climate model parameterizations is subgrid-scale cloud structure and organization, which affects precipitation intensity and stochasticity at coarse resolution. Here, using global storm-resolving simulations and machine learning, we show that, by implicitly learning subgrid organization, we can accurately predict precipitation variability and stochasticity with a low-dimensional set of latent variables. Using a neural network to parameterize coarse-grained precipitation, we find that the overall behavior of precipitation is reasonably predictable using large-scale quantities only; however, the neural network cannot predict the variability of precipitation (R 2 ~ 0.45) and underestimates precipitation extremes. The performance is significantly improved when the network is informed by our organization metric, correctly predicting precipitation extremes and spatial variability (R 2 ~ 0.9). The organization metric is implicitly learned by training the algorithm on a high-resolution precipitable water field, encoding the degree of subgrid organization. The organization metric shows large hysteresis, emphasizing the role of memory created by subgrid-scale structures. We demonstrate that this organization metric can be predicted as a simple memory process from information available at the previous time steps. These findings stress the role of organization and memory in accurate prediction of precipitation intensity and extremes and the necessity of parameterizing subgrid-scale convective organization in climate models to better project future changes of water cycle and extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Toward Drilling the Perfect Geothermal Well: An International Research Coordination Network for Geothermal Drilling Optimization Supported by Deep Machine Learning and Cloud Based Data Aggregation

The EDGE project, supported by the U.S. Department of Energy Geothermal Technologies Office under award DE-EE0008793, established a data-driven framework for improving the efficiency, cost-effectiveness, and reliability of geothermal well drilling. The project focused on developing scalable data infrastructure, advanced machine learning and probabilistic models, and integrated analytics tools to support continuous drilling optimization. A central objective was to reduce geothermal drilling costs by up to seventy percent while minimizing the risk of well failure through predictive diagnostics and adaptive planning. Over the project period, a comprehensive data repository was designed and deployed, incorporating records from over one hundred geothermal wells across varied geological settings. This repository supported both structured and unstructured data and adhered to FAIR data principles, enabling provenance tracking, quality control, and standardized metadata. The project introduced automated ingestion pipelines and a cloud-hosted platform that facilitated access to raw, processed, and derived datasets. This infrastructure served as the foundation for model development and analysis. Machine learning workflows were developed to predict key drilling metrics including rate of penetration, non-productive time, and total drilling costs. Self-organizing maps and dimensionality reduction methods were used to uncover operational patterns and outliers, while supervised learning algorithms such as random forests and deep neural networks were applied to forecast performance outcomes. The models were validated on heterogeneous datasets from both U.S. and Icelandic fields, demonstrating variable but significant predictive accuracy. The results indicated that finer temporal resolution, inclusion of lithological data, and consistency in operational annotations could substantially improve model performance. The project also implemented process mining techniques to reconstruct state-transition models from drilling event logs. These models enabled the identification of deviations from optimal workflows and provided insights into recurring failure modes. Analysis of non-productive time highlighted the impact of equipment failures, geological challenges, and human factors, offering opportunities for targeted mitigation strategies. The EDGE Dashboard was developed as a web-based expert system integrating data visualization, model outputs, and user-driven queries. It provided an accessible interface for operators to explore historical data, evaluate predicted outcomes, and compare drilling scenarios. Initial feedback from project partners suggested that the dashboard could serve as a foundation for more advanced advisory and optimization tools. Overall, the EDGE project demonstrated the feasibility and value of applying modern data science techniques to geothermal drilling. It delivered a set of interoperable tools and models that can support more efficient, lower-risk well development. The findings point toward a viable path for transitioning from advisory analytics to semi-autonomous drilling systems, contingent on continued collaboration, expanded datasets, and field validation. The project results have immediate relevance for drilling operations, data management practices, and future geothermal R&D efforts aimed at achieving reliable, cost-competitive geothermal energy at scale.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Molecular dynamics simulation of Fe-Si alloys using a neural network machine learning potential

Interatomic potential development using machine learning (ML) approaches has attracted a lot of attention in recent years because these potentials can effectively describe the structural and dynamical properties of complex materials at the atomistic level. Here, in this work, we present the development of a neural network (NN) deep ML interatomic potential for Fe-Si alloys, and we demonstrate the effectiveness of the NN-ML potential in predicting the structures and energies of liquid and crystalline phases of Fe-Si alloys in comparison with the results from ab initio molecular dynamics simulations or experimental data. The developed NN-ML potential is also used to perform molecular dynamics simulations to study the structures of Fe-Si alloys with various compositions under rapid solidification conditions. The short-ranged orders in the rapidly solidified Fe-Si alloys are also analyzed by a cluster alignment method.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Layer-wise Imaging Dataset from Powder Bed Additive Manufacturing Processes for Machine Learning Applications (Peregrine v2022-10.1)

This release consists of six datasets which together include multi-modal layer-wise powder bed images from two different powder bed printing technologies. These datasets are designed primarily to facilitate the development and testing of new computer vision and machine learning based anomaly and defect detection algorithms. The authors provide both training data with corresponding ground truth pixel masks and evaluation data with corresponding baseline prediction pixel masks made by a trained neural network. The laser powder bed fusion (L-PBF) datasets are sourced from EOS M290 and AddUp FormUp 350 printers and the binder jet (BJ) dataset is sourced from an ExOne M-Flex printer. The materials represented in these datasets include 17-4 PH Stainless Steel, GammaPrint-700, Inconel 718, Maraging Steel, and H13 Steel. The sensor imaging modalities represented include visible-light (VL), temporally-integrated (i.e., long duration exposure) near-infrared (TI-NIR), and wide-band infrared (IR). To download the dataset: (1) Create a Globus account. (2) Create a Globus Endpoint on your computer. (3) Transfer the dataset from the OLCF DOI-DOWNLOADS Collection to your Collection. Common troubleshooting steps: (a) Confirm that the transfer is going from OLCF DOI-DOWNLOADS to your Collection. (b) Create an exception for Globus in your antivirus software so that it can create an Endpoint. (c) Manually create a Globus access directory (where the data will be downloaded) by going to the Preferences > Access tab.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Aerosol and Cloud Detection Using Machine Learning Algorithms and Space-Based Lidar Data

Clouds and aerosols play a significant role in determining the overall atmospheric radiation budget, yet remain a key uncertainty in understanding and predicting the future climate system. In addition to their impact on the Earth’s climate system, aerosols from volcanic eruptions, wildfires, man-made pollution events, and dust storms are hazardous to aviation safety and human health. Space-based lidar systems provide critical information about the vertical distributions of clouds and aerosols that greatly improve our understanding of the climate system. However, daytime data from backscatter lidars, such as the Cloud-Aerosol Transport System (CATS) on the International Space Station (ISS), must be averaged during science processing at the expense of spatial resolution to obtain sufficient signal-to-noise ratio (SNR) for accurately detecting atmospheric features. For example, 50% of all atmospheric features reported in daytime operational CATS data products require averaging to 60 km for detection. Furthermore, the single-wavelength nature of the CATS primary operation mode makes accurately typing these features challenging in complex scenes. This paper presents machine learning (ML) techniques that, when applied to CATS data, enable detection of atmospheric features during daytime operations with a horizontal resolution of 5 km compared to the 60 km horizontal resolution often required for daytime CATS data. A Convolutional Neural Network (CNN) trained using CATS standard data products also demonstrated the potential for improved cloud-aerosol discrimination compared to the operational CATS algorithms for cloud edges and complex near-surface scenes during daytime.

lidar↗
DOE OSTI2020

Domain adaptation techniques for improved cross-domain study of galaxy mergers

In astronomy, neural networks are often trained on simulated data with the prospect of being applied to real observations. Unfortunately, simply training a deep neural network on images from one domain does not guarantee satisfactory performance on new images from a different domain. The ability to share cross-domain knowledge is the main advantage of modern deep domain adaptation techniques. Here we demonstrate the use of two techniques - Maximum Mean Discrepancy (MMD) and adversarial training with Domain Adversarial Neural Networks (DANN) - for the classification of distant galaxy mergers from the Illustris-1 simulation, where the two domains presented differ only due to inclusion of observational noise. We show how the addition of either MMD or adversarial training greatly improves the performance of the classifier on the target domain when compared to conventional machine learning algorithms, thereby demonstrating great promise for their use in astronomy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Development of an end state vision to implement digital monitoring in nuclear plants

Transitioning from an onsite Maintenance & Diagnostics Center to cloud-based services offers many new opportunities with computing power and storage, but also new challenges in terms of networking and security. This report will cover everything required for that transition including data processing and uploading to cloud services, feature selection, model creation, and result visualization for decision making. Although there are several other cloud-based services (e.g. Amazon Web Services and Google Cloud), this report explores Microsoft Azure to simplify nomenclature and maintain a consistent focus. Many of the services offered by Microsoft Azure are also available in the other cloud-based services, and their differences have been recorded in other literature. The Azure services most important to a nuclear power plant including networking & security, storage & databases, and Artificial Intelligence (AI) are reviewed here. Networking covers all aspects related to communication to Azure resources including security, privacy, and redundancy. Storage & databases includes data storage, upgrading, patching, backups, and monitoring. The AI services allows the user access to the machine learning (ML) techniques developed with Azure including automated ML, anomaly detection, computer vision, and natural language processing. This report summaries the features, capabilities, and challenges when using cloud-based services in a user-friendly manner.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Computational Framework for Machine-Learning-Enabled 13 C Fluxomics

13 C metabolic flux analysis (MFA) has emerged as a powerful tool for synthetic biology. This optimization-based approach suffers long computation time and unstable solutions depending on the initial guess. Here, we develop a machine-learning-based framework for 13 C fluxomics. Specifically, training and test data sets are generated by metabolic network decomposition and flux sampling, in which flux ratios at metabolic nodes and simulated labeling patterns of metabolites are used as training targets and features, respectively. To improve prediction accuracy and simplify the model, automated processes are developed for flux ratio selection based on solvability and feature screening based on importance. We found that predictive performance can be significantly improved using both amino acids and central carbon metabolites in comparison with amino acids alone. Together with measured external fluxes, the predicted flux ratios determine the mass balance system, yielding global flux distributions. This approach is validated by flux estimation using both simulated and experimental data in comparison with canonical 13 C MFA. The approach represents a reliable fluxomics method readily applicable to high-throughput metabolic phenotyping, which highlights the advances of intelligent learning algorithms in synthetic biology, specifically in the Test and Learn stage of the Design-Build-Test-Learn cycle.

13C metabolic flux analysis↗
DOE OSTI2022

DeepCare: Improving Patient Care using Deep Learning on Electronic Health Records

Coordinating patient care using electronic health records (EHR) data presents an exciting but formidable opportunity in data extraction, analysis and modeling. Traditional methods use a manual feature driven approach to model patients with age, family history and symptoms to predict disease outcomes. We propose a novel approach to model patients based on their streaming electronic health records data combined with information from medical knowledge bases, which has been gained over years of medical research. Using a combination of representation learning and long short term memory (LSTM) networks we plan to model patient evolution over time, leading to more accurate and individualized predictive models for patient’s diseases. Our approach will be transformative in providing critical decision support for patient care, enabling accurate understanding and evolution of diseases in patients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Graph-EAM: An Interpretable and Efficient Graph Neural Network Potential Framework

The development of deep learning interatomic potentials has enabled efficient and accurate computations in quantum chemistry and materials science, circumventing computationally expensive ab initio calculations. However, the huge number of learnable parameters in deep learning models and their complex architectures hinder physical interpretability and affect the robustness of the derived potential. In this work, we propose graph-EAM, a lightweight graph neural network (GNN) inspired by the empirical embedded atom method to model the interatomic potential of single-element structures. Four material systems: platinum, niobium, silicon, and amorphous-carbon, for which quantum simulation data sets are publicly available, are examined to demonstrate that graph-EAM can achieve high energy and force prediction accuracy-comparable or better than existing state-of-the-art machine learning models-with much fewer parameters. It is also shown that the explicit inclusion of the angular information via three-body atomic density increases the prediction accuracy. In conclusion, the accuracy and efficiency of potentials obtained from graph-EAM can help accelerate the molecular dynamics simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Neural-network decoders for measurement induced phase transitions

Open quantum systems have been shown to host a plethora of exotic dynamical phases. Measurement-induced entanglement phase transitions in monitored quantum systems are a striking example of this phenomena. However, naive realizations of such phase transitions requires an exponential number of repetitions of the experiment which is practically unfeasible on large systems. Recently, it has been proposed that these phase transitions can be probed locally via entangling reference qubits and studying their purification dynamics. In this work, we leverage modern machine learning tools to devise a neural network decoder to determine the state of the reference qubits conditioned on the measurement outcomes. We show that the entanglement phase transition manifests itself as a stark change in the learnability of the decoder function. We study the complexity and scalability of this approach in both Clifford and Haar random circuits and discuss how it can be utilized to detect entanglement phase transitions in generic experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (ML) are transforming thermoelectric materials design. Advanced ML approaches including deep neural networks, graph-based models, and transformer architectures, integrated with high-throughput simulations and growing databases, effectively capture structure-property relationships in a complex multiscale defect space and overcome the “curse of dimensionality”. This review discusses AI-enhanced defect engineering strategies such as composition optimization, entropy and dislocation engineering, and grain boundary design, along with emerging inverse design techniques for generating materials with targeted properties. Finally, it outlines future opportunities in novel physics mechanisms and sustainability, highlighting the critical role of AI in accelerating the discovery of thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A multi-dimensional parametric study of variability in multi-phase flow dynamics during geologic CO 2 sequestration accelerated with machine learning

Successful geologic CO 2 storage projects depend on numerical simulations to predict reservoir performance during site selection, injection verification, and post-injection monitoring phases of the project. These numerical simulations solve non-linear sets of coupled partial differential equations, while accounting for multi-phase fluid dynamics on the basis of constitutive equations that are embedded into the solution scheme. As a consequence, individual simulations often require tens to hundreds of hours to complete on high-performance computing clusters. Moreover, laboratory experiments reveal that parametric functions for capillary pressure and relative permeability exhibit substantial variability, even within the same rock type. This combination of computational expense and wide-ranging parametric variability means that there remains substantial uncertainty in the behavior of multi-phase CO 2 -water systems, particularly in the context of feedbacks between relative permeability and capillary pressure. To bridge this knowledge gap, here we develop a novel workflow that utilizes physics-based numerical simulation to train an artificial neural network (ANN) emulator for interrogating the multivariate parameter space that governs both capillary pressure and relative permeability. With this approach, the ANN is trained to emulate both fluid pressure distribution and CO 2 saturation, which are then interrogated quantitatively to generate parametric response surface mappings with high-fidelity resolution. Results from this study initially show that capillary entry pressure is the dominant control on both CO 2 plume geometry and fluid pressure propagation when considering the combined effects of capillary pressure and relative permeability, particularly when phase interference is low and residual CO 2 saturation is high. Moreover, the ANN emulator provides tremendous computational speed-up by computing 2691 individual simulations in several minutes; whereas, the same simulation ensemble would have required ~3 years of simulation time using only physics-based simulation methods (25,000 times speed up).

58 GEOSCIENCES↗