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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A physics-based ensemble machine-learning approach to identifying a relationship between lightning indices and binary lightning hazard

To convert lightning indices generated by numerical weather prediction experiments into binary lightning hazard, a machine-learning tool was developed. This tool, consisting of parallel multilayer perceptron classifiers, was trained on an ensemble of planetary boundary layer schemes and microphysics parameterizations that generated four different lightning indices over 1 week. In a subsequent week, the multi-physics ensemble was applied and the machine-learning tool was used to evaluate the accuracy. Unintuitively, the machine-learning tool performed better on the testing dataset than the training dataset. Much of the error may be attributed to mischaracterizing the convection. The combination of the machine learning model and simulations could not differentiate between cloud-to-cloud lightning and cloud-to-ground lightning, despite being trained on cloud-to-ground lightning. It was found that the simulation most representative of the local operational model was the most accurate simulation tested.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Coupling 1D xRAGE simulations with machine learning for graded inner shell design optimization in double shell capsules

Advances in machine learning provide the ability to leverage data from expensive simulations of high-energy-density experiments to significantly cut down on computational time and costs associated with the search for optimal target designs. This study presents an application of cutting-edge Bayesian optimization methods to the one-dimensional (1D) design optimization of double shell graded layer targets for inertial confinement fusion experiments. This investigation attempts to reduce hydrodynamic instabilities while retaining high yields for future NIF experiments. Machine learning methods can use predictive physics simulations to identify graded layer designs from within the vast design space that demonstrate high predicted performance, including novel designs with high uncertainty in performance that may hold unexpected promise. By applying machine learning tools to the simulation design, we map the trade-off between 1D yield and instability, specifically isolating parameter ranges, which maintain high performance while showing significantly improved Rayleigh–Taylor stability over the point design. Furthermore, the groundwork laid in this study will be a useful design tool for future NIF experiments with graded layer targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Use of machine learning to analyze chemistry card sort tasks

Education researchers are deeply interested in understanding the way students organize their knowledge. Card sort tasks, which require students to group concepts, are one mechanism to infer a student’s organizational strategy. However, the limited resolution of card sort tasks means they necessarily miss some of the nuance in a student’s strategy. Here in this work, we propose new machine learning strategies that leverage a potentially richer source of student thinking: free-form written language justifications associated with student sorts. Using data from a university chemistry card sort task, we use vectorized representations of language and unsupervised learning techniques to generate qualitatively interpretable clusters, which can provide unique insight in how students organize their knowledge. We compared these to machine learning analysis of the students’ sorts themselves. Machine learning-generated clusters revealed different organizational strategies than those built into the task; for example, sorts by difficulty or even discipline. There were also many more categories generated by machine learning for what we would identify as more novice-like sorts and justifications than originally built into the task, suggesting students’ organizational strategies converge when they become more expert-like. Finally, we learned that categories generated by machine learning for students’ justifications did not always match the categories for their sorts, and these cases highlight the need for future research on students’ organizational strategies, both manually and aided by machine learning. In sum, the use of machine learning to analyze results from a card sort task has helped us gain a more nuanced understanding of students’ expertise, and demonstrates a promising tool to add to existing analytic methods for card sorts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

ML4Geo: Machine Learning based Well Design to Enhance Unconventional Energy Production

This project aimed at using artificial intelligence and machine learning methods to improve oil and gas operations. On the machine learning front, this focused on the development of differentiable programming methods that are relevant in this application area, such as incorporating physical simulations into machine learning workflows. On the oil and gas front, the focus was on optimizing well performance.

02 PETROLEUM↗
DOE OSTI2024

Machine learning techniques for intermediate mass gap lepton partner searches at the large hadron collider

We consider machine learning techniques associated with the application of a boosted decision tree (BDT) to searches at the Large Hadron Collider (LHC) for pair-produced lepton partners which decay to leptons and invisible particles. This scenario can arise in the minimal supersymmetric Standard Model (MSSM), but can be realized in many other extensions of the Standard Model (SM). We focus on the case of intermediate mass splitting ( ∼ 30 GeV ) between the dark matter (DM) and the scalar. For these mass splittings, the LHC has made little improvement over LEP due to large electroweak backgrounds. We find that the use of machine learning techniques can push the LHC well past discovery sensitivity for a benchmark model with a lepton partner mass of ∼ 110 GeV , for an integrated luminosity of 300 fb − 1 , with a signal-to-background ratio of ∼ 0.3 . The LHC could exclude models with a lepton partner mass as large as ∼ 160 GeV with the same luminosity. The use of machine learning techniques in searches for scalar lepton partners at the LHC could thus definitively probe the parameter space of the MSSM in which scalar muon mediated interactions between SM muons and Majorana singlet DM can both deplete the relic density through dark matter annihilation and satisfy the recently measured anomalous magnetic moment of the muon. We identify several machine learning techniques which can be useful in other LHC searches involving large and complex backgrounds. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

Accelerating high-strain continuum-scale brittle fracture simulations with machine learning

Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this discrete crack evolution at the continuum level is computationally expensive or, in some cases, intractable, resulting in the need to make broad assumptions or neglect key physics. In this work, we have developed an approach using machine learning that overcomes the current inability to represent meso-scale physics at the macro-scale. Our approach leverages damage and stress data from a computationally expensive high-fidelity model that explicitly resolves microcrack behavior to build an inexpensive machine learning emulator. Once trained, the machine learning emulator is used to predict the evolution of crack length statistics, which then informs a continuum-scale constitutive model. This results in a significant speed-up of the workflow by four orders of magnitude. Both the machine learning emulator and the continuum-scale model are validated against the high-fidelity model and experimental data, respectively, showing excellent agreement. There are two key findings. The first is that we can reduce the dimensionality of the problem, establishing that the machine learning emulator only needs the length of the longest crack and one of the maximum stress components to capture the necessary physics. Another compelling finding is that the emulator can be trained in one experimental setting and transferred successfully to predict behavior in a different setting.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine Learning for Correlated Intelligence. LDRD SAND Report

The Machine Learning for Correlated Intelligence Laboratory Directed Research & Development (LDRD) Project explored competing a variety of machine learning (ML) classification techniques against a known, open source dataset through the use of a rapid and automated algorithm research & development (RD) infrastructure. This approach relied heavily on creating an infrastructure in which to provide a pipeline for automatic target recognition (ATR) ML algorithm competition. Results are presented for nine ML classifiers against a primary dataset using the pipeline infrastructure developed for this project. New approaches to feature set extraction are presented and discussed as well.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Differentiable modelling to unify machine learning and physical models for geosciences

Process-based modelling offers interpretability and physical consistency in many domains of geosciences but struggles to leverage large datasets efficiently. Machine-learning methods, especially deep networks, have strong predictive skills yet are unable to answer specific scientific questions. Here, in this Perspective, we explore differentiable modelling as a pathway to dissolve the perceived barrier between process-based modelling and machine learning in the geosciences and demonstrate its potential with examples from hydrological modelling. ‘Differentiable’ refers to accurately and efficiently calculating gradients with respect to model variables or parameters, enabling the discovery of high-dimensional unknown relationships. Differentiable modelling involves connecting (flexible amounts of) prior physical knowledge to neural networks, pushing the boundary of physics-informed machine learning. It offers better interpretability, generalizability, and extrapolation capabilities than purely data-driven machine learning, achieving a similar level of accuracy while requiring less training data. Additionally, the performance and efficiency of differentiable models scale well with increasing data volumes. Under data-scarce scenarios, differentiable models have outperformed machine-learning models in producing short-term dynamics and decadal-scale trends owing to the imposed physical constraints. Differentiable modelling approaches are primed to enable geoscientists to ask questions, test hypotheses, and discover unrecognized physical relationships. Future work should address computational challenges, reduce uncertainty, and verify the physical significance of outputs.

58 GEOSCIENCES↗
DOE OSTI2025

Leveraging interpolation models and error bounds for verifiable scientific machine learning

Effective verification and validation techniques for modern scientific machine learning workflows are challenging to devise. Statistical methods are abundant and easily deployed, but often rely on speculative assumptions about the data and methods involved. Error bounds for classical interpolation techniques can provide mathematically rigorous estimates of accuracy, but often are difficult or impractical to determine computationally. Here, in this work, we present a best-of-both-worlds approach to verifiable scientific machine learning by demonstrating that (1) multiple standard interpolation techniques have informative error bounds that can be computed or estimated efficiently; (2) comparative performance among distinct interpolants can aid in validation goals; (3) deploying interpolation methods on latent spaces generated by deep learning techniques enables some interpretability for black-box models. We present a detailed case study of our approach for predicting lift-drag ratios from airfoil images. Code developed for this work is available in a public Github repository.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Machine-learning based model reduction for partial differential equations

We develop a novel synergistic approach between model reduction and machine learning. The specific goal of this project is to aid in the construction of reduced order models for basis functions that are custom-made to represent the solution of partial differential equations. Partial differential equations (PDEs) are one of the main mathematical tools for describing physical phenomena. However, due to either efficiency or necessity, for many real-world problems, we are interested in constructing reduced order models (ROMs) which focus only on the explicit computation of subsets of the active spatio-temporal scales in the problem, while treating the interaction with the rest of the scales approximately. The task of accurate representation of such interactions (usually called memory terms) constitutes a vast area of research known as model reduction. PI Stinis has significant expertise in the construction of ROMs for complex systems. In addition, in recent work with the project key participant Qadeer, they have utilized machine learning to acquire custom-made basis functions (CBFs) to expand the solutions of PDEs. In the proposed work, we will merge the two concepts by constructing ROMs for subsets of the CBFs needed to represent the solution of a PDE. Specifically, we will use the Mori-Zwanzig model reduction formalism to construct ROMs for subsets of CBFs for nonlinear PDEs of various complexity, as well as investigate the usage of CBFs in the spectral vanishing viscosity method for problems that can form shocks in finite time. The outcome of the research is aimed to be proof-of-concept about a novel synergistic approach between model reduction and machine learning, thus advancing the field of scientific machine learning. Such a capability will benefit the efficient modeling of physical systems appearing in various areas of interest to the DOE.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Devices and methods for increasing the speed or power efficiency of a computer when performing machine learning using spiking neural networks

A method for increasing a speed and efficiency of a computer when performing machine learning using spiking neural networks. The method includes computer-implemented operations; that is, operations that are solely executed on a computer. The method includes receiving, in a spiking neural network, a plurality of input values upon which a machine learning algorithm is based. The method also includes correlating, for each input value, a corresponding response speed of a corresponding neuron to a corresponding equivalence relationship between the input value to a corresponding latency of the corresponding neuron. Neurons that trigger faster than other neurons represent close relationships between input values and neuron latencies. Latencies of the neurons represent data points used in performing the machine learning. A plurality of equivalence relationships are formed as a result of correlating. The method includes performing the machine learning using the plurality of equivalence relationships.

Vineyard, Craig Michael↗
DOE OSTI2025

Machine learning inversion from scattering for mechanically driven polymers

A machine learning inversion method is developed for analyzing scattering functions of mechanically driven polymers and extracting the corresponding feature parameters, which include energy parameters and conformation variables. The polymer is modeled as a chain of fixed-length bonds constrained by bending energy, and it is subject to external forces such as stretching and shear. We generate a data set consisting of random combinations of energy parameters, including bending modulus, stretching and shear force, along with Monte Carlo-calculated scattering functions and conformation variables such as end-to-end distance, radius of gyration and off-diagonal component of the gyration tensor. The effects of the energy parameters on the polymer are captured by the scattering function, and principal component analysis ensures the feasibility of the machine learning inversion. Finally, we train a Gaussian process regressor using part of the data set as a training set and validate the trained regressor for inversion using the rest of the data. The regressor successfully extracts the feature parameters.

Gaussian process regressors↗
DOE OSTI2024

Machine learning framework for predicting uranium enrichments from M400 CZT gamma spectra

A machine learning framework was developed for predicting uranium enrichments from M400 CZT gamma spectra. This framework leverages the availability of a large amount of measured M400 gamma spectra and uses a recently updated version of Gamma Detector Response and Analysis Software (GADRAS) for gamma spectrum analysis and generation. It also leverages the existing machine learning modules in Python for gamma spectrum data processing, curation, model training, benchmarking, and optimization of the deep machine learning models. The framework is used to develop a deep learning model to analyze gamma spectra from a set of U 3 O 8 samples with enrichments ranging from 0.31 to 93.17% and UF 6 cylinders with enrichments ranging from 0.2 to 4.95%, and the model performance is tested using a set of measured spectra and the respective declared enrichment values. Results show that the model can correctly classify 99.35% of the U 3 O 8 sample enrichments, and can predict the samples’ enrichments within an average absolute error of 0.099% (in percentage points of enrichment). For the UF 6 cylinders, the average absolute error was approximately 0.03%, with an accuracy of 98% in classifying discrete enrichment values of UF 6 samples. Finally, the results also show that the model has performed significantly better in terms of predicting enrichments in UF 6 cylinders based on measured gamma spectra than the GEM code, with a standard deviation (of the relative errors) of 2.23% (compared with the 11.51% value for the GEM code) based on results from a set of test data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Scalable Wind Turbine Generator Bearing Fault Prediction Using Machine Learning: A Case Study

Operation and maintenance (O&M) costs for wind turbines pose a risk to competitiveness and asset owners. With machine-learning technologies and digitalization rapidly maturing, the wind industry is actively investigating these new technologies to optimize O&M practices and reduce costs. This paper reviews recent work on machine-learning approaches to generator bearing failure prediction and presents a relevant real-world case study through a collaboration between the National Renewable Energy Laboratory and Envision Digital Corporation. In the case study, we evaluate the performance of representative machine-learning algorithms for predicting wind turbine generator bearing failures. Operational supervisory control and data acquisition data from one wind power plant was used to train and test the machine-learning models. The investigated data channels are chosen based on whether physically they reflect the failed generator bearing conditions and the component historical usage, including both environmental and operational conditions. Benefits and drawbacks of different methods are identified.

generator bearing failures↗
DOE OSTI2021

A Machine Learns to Predict the Stability of Highly Diverse Multi-planetary Systems

Machine learning has proven to be an invaluable tool for characterizing the stability of planets in simplified planetary systems. In this work, we investigate the performance of a machine learning classifier on tightlypacked systems containing a rich diversity of planets, from Earths to Jupiters. Using information derived from short numerical simulations about a planet’s early orbital evolution and its relationship with the most massive planets in the system, we train a random forest classifier to predict instability with a > 88 percent accuracy. Our classifier relies on relative planet masses and the standard deviation of eccentricity for much of its predictive power. Most misclassified planets lie along a multi-dimensional boundary between stable and unstable planets, indicating that their early orbital evolution is ambiguous. The major reason for misclassification in this work is timescale: because our classifier uses information from only the first 137 years of simulation data, it is blind to late time interactions that cause or prevent instability. Machine learning methods like those utilized in this work provide powerful tools to complement numerical simulations across a wide range of planetary architectures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

MLMOD: Machine Learning Methods for Data-Driven Modeling in LAMMPS

MLMOD is a software package for incorporating machine learning approaches and models into simulations of microscale mechanics and molecular dynamics in LAMMPS. Recent machine learning approaches provide promising data-driven approaches for learning representations for system behaviors from experimental data and high fidelity simulations. The package facilitates learning and using data-driven models for (i) dynamics of the system at larger spatial-temporal scales (ii) interactions between system components, (iii) features yielding coarser degrees of freedom, and (iv) features for new quantities of interest characterizing system behaviors. MLMOD provides hooks in LAMMPS for (i) modeling dynamics and time-step integration, (ii) modeling interactions, and (iii) computing quantities of interest characterizing system states. The package allows for use of machine learning methods with general model classes including Neural Networks, Gaussian Process Regression, Kernel Models, and other approaches. Here we discuss our prototype C++/Python package, aims, and example usage. For related papers, examples, updates, and additional information see https://github.com/atzberg/mlmod and http://atzberger.org/.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

In with the old, in with the new: machine learning for time to event biomedical research

The predictive modeling literature for biomedical applications is dominated by biostatistical methods for survival analysis, and more recently some out of the box machine learning approaches. In this article, we show a presentation of a machine learning method appropriate for time-to-event modeling in the area of prostate cancer long-term disease progression. Using XGBoost adapted to long-term disease progression, we developed a predictive model for 118 788 patients with localized prostate cancer at diagnosis from the Department of Veterans Affairs (VA). Our model accounted for patient censoring. Harrell’s c-index for our model using only features available at the time of diagnosis was 0.757 95% confidence interval [0.756, 0.757]. Our results show that machine learning methods like XGBoost can be adapted to use accelerated failure time (AFT) with censoring to model long-term risk of disease progression. Furthermore, the long median survival justifies and requires censoring. Overall, we show that an existing machine learning approach can be used for AFT outcome modeling in prostate cancer, and more generally for other chronic diseases with long observation times.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2020

Combining mechanistic and machine learning models for predictive engineering and optimization of tryptophan metabolism

Abstract Through advanced mechanistic modeling and the generation of large high-quality datasets, machine learning is becoming an integral part of understanding and engineering living systems. Here we show that mechanistic and machine learning models can be combined to enable accurate genotype-to-phenotype predictions. We use a genome-scale model to pinpoint engineering targets, efficient library construction of metabolic pathway designs, and high-throughput biosensor-enabled screening for training diverse machine learning algorithms. From a single data-generation cycle, this enables successful forward engineering of complex aromatic amino acid metabolism in yeast, with the best machine learning-guided design recommendations improving tryptophan titer and productivity by up to 74 and 43%, respectively, compared to the best designs used for algorithm training. Thus, this study highlights the power of combining mechanistic and machine learning models to effectively direct metabolic engineering efforts.

59 BASIC BIOLOGICAL SCIENCES↗