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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 649 records · Page 36

Machine Learning Emulators and Empirical Models Combining Climate and Global Crop Models for Seasonal Agricultural Production

We present results from several connected efforts to apply machine learning methods to estimates of seasonal agricultural production anomalies around the world. First, we apply the XGBoost Random Forest method to fit emulators that mimic global crop models participating in the Agricultural Model Intercomparison and Improvement Project (AgMIP) Global Gridded Crop Model Intercomparison (GGCMI). These are the same models used in the agricultural sector simulations of the Inter-Sectoral Impacts Model Intercomparison Project (ISIMIP). These emulators use 8 climate variables split across 5 sub-seasonal representations of the growing season for each ½ degree grid cell around the world for maize, wheat, rice and soybeans. Emulators are useful for estimating conditions that have not already been simulated by GGCMI (e.g., in a seasonal prediction model) and also to diagnose model differences and capabilities. For example, emulators of the pDSSAT maize model tend to be more reliant on mean temperatures than the LPJmL model, and few models have strong responses to cold extremes. Second, we use a similar XGBoost approach to fit empirical models for national production data for the top 20 producing countries according to the United Nations Food and Agricultural Organization (FAO). Models utilize both climate observations and the GGCM models as predictors, resulting in skillful models for many (but not all) top producing-countries. The patterns of climate and crop model features selected indicate regions and systems that are better or worse simulated by the GGCMs. For example, information in cold extreme predictors is often combined with GGCM output predictors to provide sensitivity that models may underrepresent.

machine learning↗

Facilitating Screening of MOFs for Mixed Matrix Membranes Using Machine Learning and the Maxwell Model

Metal organic framework (MOF)-based mixedmatrix membranes (MMMs), which embed MOF particles in polymer matrices, combine the advantages of polymeric and inorganic membranes. Multiple previous studies have used the Maxwell model together with molecular simulations and machine learning (ML) to predict the performance of MOF/polymer MMMs. However, the assumption of rigid MOF frameworks in molecular simulations limited the accuracy of the data used in the predictions, particularly in predicting molecular diffusivities. We developed a novel workflow integrating ML models with consideration of MOF flexibility to predict the permeability and selectivity of 131,722 MMMs for CO 2 /CH 4 , O 2 /N 2 and He/H 2 separations. The full range of achievable MMM performance within the Maxwell model was analyzed, and several promising MOFs were identified using this workflow. This approach offers an efficient tool for screening any polymer and MOF combination in gas separation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine Learning Approach to Modeling of Neutral Particles Transport in Plasma

A propagator‐based approach is investigated for Monte‐Carlo (MC) modeling of neutral particle transport in fusion boundary plasmas. The propagator is based on a Green's function for the neutral kinetic equation, which depends on the plasma profiles. A neural network (NN)‐based model for the propagator provides a fast and accurate solution for the neutral distribution function in plasma. Preliminary results from a small 1D test problem look encouraging. The proposed approach, a propagator‐based NN model for neutral transport in plasma, has potential for generalization to higher dimensions and efficient coupling with plasma models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

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↗

Review of Solar Energetic Particle Models

Solar Energetic Particle (SEP) events are interesting from a scientific perspective as they are the product of a broad set of physical processes from the corona out through the extent of the heliosphere, and provide insight into processes of particle acceleration and transport that are widely applicable in astrophysics. From the operations perspective, SEP events pose a radiation hazard for aviation, electronics in space, and human space exploration, in particular for missions outside of the Earth’s protective magnetosphere including to the Moon and Mars. Thus, it is critical to improve the scientific understanding of SEP events and use this understanding to develop and improve SEP forecasting capabilities to support operations. Many SEP models exist or are in development using a wide variety of approaches and with differing goals. These include computationally intensive physics-based models, fast and light empirical models, machine learning-based models, and mixed-model approaches. The aim of this paper is to summarize all of the SEP models currently developed in the scientific community, including a description of model approach, inputs and outputs, free parameters, and any published validations or comparisons with data.

Kathryn Whitman↗

TCAD-Machine Learning Enabled TID Compact Model Development for Commercial SiC MOSFET

We propose a TCAD (Technology Computer Aided Design)-machine learning coupled approach that combines a TCAD tool (Charon), optimization/uncertainty quantification tool (Dakota), surrogate models, and Bayesian learning capabilities. The coupling approach is used for accurate modeling and calibration of total ionizing dose (TID) induced threshold voltage (V th ) shifts in Commercial-Off-The-Shelf (COTS) semiconductor devices and to develop physics-informed TID compact models. This versatile approach is applied to model the TID effect in an exemplar COTS 3.3 kV SiC power MOSFET (Metal-Oxide-Semiconductor Field-Effect Transistor). With the Charon-Dakota coupling, we can determine key device geometry and doping values based on device physics, which are difficult to obtain or not available for COTS devices but important for TCAD simulation; additionally, we can efficiently generate thousands of simulation results in a large parameter space, which makes it possible to develop data-driven surrogate models and perform Bayesian calibration. Utilizing the full tool-coupling approach, we achieve calibrated TCAD simulation models that accurately capture the average TID-induced V th shifts behavior with total doses and V th shifts saturation at high doses as observed in experimental data. More importantly, the calibrated TCAD simulations are obtained with determined TID model parameters (e.g., hole trap density and capture cross section) values that contain well quantified uncertainties. Furthermore, we can isolate and quantify the noises that are not captured by the TCAD models but exist in the measured data due to measurements and devices variabilities. Lastly, the calibrated surrogate models are used to develop physics-informed TID compact models. The method is generalizable to other devices and/or radiation conditions with few modifications and can provide well-determined uncertainties.

COTS↗

Machine Learned Empirical Numerical Integrator from Simulated Data

Recently, a number of state-of-the-art surrogate machine learning (ML) models have been designed for global weather and climate prediction, which have been trained using reanalysis data products. Reanalysis data products are constructed using numerical model simulations that combine numerical integration of partial differential equations and parameterization schemes. These products are typically only archived and made available using coarsened spatial and temporal resolutions. This study explores the impact of the numerical generation methods used to produce the training datasets and the temporal resolution of those datasets on machine learning surrogate models. Using the nonlinear vector autoregression (NVAR) machine as an explainable ML technique, simple dynamical systems are emulated with ML models trained on data produced by three classical numerical integration schemes. NVAR is validated as a skillful ML method, capable of producing accurate predictions and, more importantly, reconstructing both the underlying dynamics and the numerical integration scheme used to generate the training data. However, the machine fails to generalize predictions on unseen test data generated by different numerical integration schemes, despite the underlying dynamical system being the same. This result provides a word of caution for the growing field of machine learning emulation of weather and climate dynamics. Furthermore, we illustrate using NVAR that training on temporally coarsened data may increase the required complexity of ML models and potentially introduce new numerical challenges. Finally, we discover that empirical integration schemes with arbitrary time-stepping sizes can be constructed directly from the data, which implies a potential for the development of empirical numerical integration schemes.

54 ENVIRONMENTAL SCIENCES↗

Integrating Machine Learning into a Crowdsourced Model for Earthquake-Induced Damage Assessment

On January 12th, 2010, a catastrophic 7.0M earthquake devastated the country of Haiti. In the aftermath of an earthquake, it is important to rapidly assess damaged areas in order to mobilize the appropriate resources. The Haiti damage assessment effort introduced a promising model that uses crowdsourcing to map damaged areas in freely available remotely-sensed data. This paper proposes the application of machine learning methods to improve this model. Specifically, we apply work on learning from multiple, imperfect experts to the assessment of volunteer reliability, and propose the use of image segmentation to automate the detection of damaged areas. We wrap both tasks in an active learning framework in order to shift volunteer effort from mapping a full catalog of images to the generation of high-quality training data. We hypothesize that the integration of machine learning into this model improves its reliability, maintains the speed of damage assessment, and allows the model to scale to higher data volumes.

crowdsourcing↗