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DOE OSTI2023

A multiscale recurrent neural network model for predicting energy production from geothermal reservoirs

Optimization of energy production from geothermal reservoirs requires reliable prediction of energy production performance under alternative operation and development scenarios. Traditionally, reservoir simulation models are used for the evaluation and screening of alternative production and development plans. However, simulation models require extensive data collection and modeling efforts and are time-consuming to build, run, and update. Data-driven predictive models, on the other hand, can serve as efficient prediction tools that can be used for decision support and management of daily operations and surveillance activities. Data-driven models become particularly attractive when a reservoir simulation model for a field does not exist and/or is difficult to build. Machine learning (ML)-based data-driven models that have recently become popular in several fields exploit statistical patterns and relations in training data to generate predictions. As such, they tend to perform better in interpolation problems (that is, prediction within the training data range) than when they are used to extrapolate beyond the training data. Production data from geothermal reservoirs tend to exhibit short-term variabilities as well as long-term trends, such as monotonically declining production temperatures. Capturing both short-term features and long-term trends with ML-based models is not trivial. We evaluate the use of recurrent neural networks (RNN) for the prediction of energy production from geothermal reservoirs. RNN is a class of ML architectures that are used to represent and predict sequential/dynamic data. Thus, it can be challenging to apply RNN to problems where long-term trends must be captured and extrapolation beyond the training data range is needed. We introduce the multiscale RNN architecture to extend the application of RNN to detect and predict both short-term variabilities and long-term trends in geothermal data. The developed architecture consists of a long-term component to only capture low-frequency data patterns, and a short-term component to detect features with higher frequency and more nonlinearity. The final prediction is obtained by combining the long-term and short-term predictions. Both synthetic and field data are used to evaluate the presented multiscale RNN model. The prediction performance of the multiscale RNN is compared against those obtained from the regular RNN and the autoregressive (AR) model. The results suggest that the multiscale architecture improves the long-term prediction performance of the regular RNN and enhances its robustness against noise.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

Evaluating pulse-shaping capabilities of next-generation pulsed power architectures

This project evaluated the pulse shaping capabilities of next-generation pulsed power (NGPP) architectures. NGPP architectures share several common attributes including multiple independent pulse-generation lines, a radial water-insulated impedance transformer, and a central vacuum insulated load region. A multi-module circuit model was developed, incorporating independent pulse-generation lines and a 2-D transmission line mesh of the radial impedance transformer to assess the effects of azimuthal asymmetry in pulse-shaped experiments. Circuit model simulations demonstrated that NGPP architectures are able to produce the the desired current pulse shapes for exemplar NGPP experiments. Additionally, the project explored automated methods for experiment design, including derivative -ree optimization and machine learning. Pulse-shaped experiments require designers to determine machine parameters that reliably produce the desired current pulse at the load, a process that typically relies on expert knowledge and iterative adjustments using the Z circuit model. Given the increased complexity of NGPP systems, this manual approach may be impractical. While the evaluated methods do not eliminate the need for manual iteration, they can reduce the time required for experiment design. Derivative-free optimization automates much of the trial-and-error process, providing a close starting point for manual adjustments or making small modifications to near-final designs. Meanwhile, deep neural network methods can generate a good qualitative match to the desired current pulse in under one second without requiring circuit model simulations.

42 ENGINEERING↗

DOE OSTI2025

Global tuning of hadronic interaction models with accelerator-based and astroparticle data

In high-energy and astroparticle physics, event generators play an essential role, even in the simplest data analyses. As analysis techniques become more sophisticated, e.g. based on deep neural networks, their correct description of the observed event characteristics becomes even more important. Physical processes occurring in hadronic collisions are simulated within a Monte Carlo framework. A major challenge is the modeling of hadron dynamics at low momentum transfer, which includes the initial and final phases of every hadronic collision. QCD-inspired phenomenological models used for these phases cannot guarantee completeness or correctness over the full phase space. These models usually include parameters which must be tuned to suitable experimental data. Until now, event generators have been developed and tuned mainly on the basis of data from high-energy physics experiments at accelerators. The wealth of data available from the latest generation of astroparticle experiments has not yet been fully exploited, and in many cases is not satisfactorily described. Both kinds of data sets are complementary as astroparticle experiments provide sensitivity especially to hadrons produced nearly parallel to the collision axis and cover center-of-mass energies up to several hundred TeV, well beyond those reached at colliders so far. In this report, we provide an overview of state-of-the-art event generators and their tuning, including the most relevant inputs from high-energy accelerator and astroparticle experiments. We present a road map that shows, for the first time, how the unified tuning of event generators with accelerator-based and astroparticle data can be performed.

Albrecht, J. [Ruhr U., Bochum, RAPP Ctr.; Ruhr U.,↗

DOE OSTI2026

Super-resolution model for overlapping peak detection and improved spatial resolution in high-energy diffraction microscopy

Reconstruction quality in Far-field High-Energy Diffraction Microscopy (FF-HEDM) is limited by the spatial resolution of area detectors and the frequent occurrence of overlapping diffraction spots. To address these challenges, we developed a super-resolution (SR) framework using convolutional neural networks (CNNs) to recreate 2D diffraction peaks at up to ×8 resolution from raw detector data. A specialized simulation tool was created to generate synthetic training datasets with varying degrees of peak overlap. Integrated into the Microstructural Imaging using Diffraction Analysis Software (MIDAS), the SR model improves the spatial accuracy and precision of 3D grain reconstruction by an order of magnitude. This approach provides a robust solution for investigation of complex micromechanical states and material classes where the analysis is limited by the presence of overlapping peaks. Furthermore, the methodology developed here can potentially be extended to other techniques that require sub-pixel accuracy for high-fidelity data analysis.

High-energy diffraction microscopy↗

DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Primordial non-Gaussianity from the completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey II: measurements in Fourier space with optimal weights

ABSTRACT We present measurements of the local primordial non-Gaussianity parameter $f_{\mathrm{NL}}^\mathrm{local} $from the clustering of 343 708 quasars with redshifts 0.8 < z < 2.2 distributed over 4808 deg2 from the final data release (DR16) of the extended Baryon Acoustic Oscillation Spectroscopic Survey (eBOSS), the largest volume spectroscopic survey up to date. Our analysis is performed in Fourier space, using the power spectrum monopole at very large scales to constrain the scale-dependent halo bias. We demonstrate the robustness of our analysis pipeline with EZ-mock catalogues that simulate the eBOSS DR16 target selection. We carefully assess the impact of systematics on our measurement, exploiting a novel neural network scheme for cleaning the DR16 sample as well as test multiple contamination removal methods. We estimate the bias due to the overcorrection of the systematic removal to be sub-dominant compared to the statistical uncertainty. We find fNL = −12 ± 21 (68 per cent confidence) for the main clustering sample including quasars with redshifts between 0.8 and 2.2, after applying redshift weighting techniques, designed for non-Gaussianity measurement from large scales structure, to optimize our analysis, which improve our results by 37 per cent.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Comparison of Machine Learning Algorithms for Natural Gas Identification with Mixed Potential Electrochemical Sensor Arrays

Mixed-potential electrochemical sensor arrays consisting of indium tin oxide (ITO), La 0.87 Sr 0.13 CrO 3 , Au, and Pt electrodes can detect the leaks from natural gas infrastructure. Algorithms are needed to correctly identify natural gas sources from background natural and anthropogenic sources such as wetlands or agriculture. We report for the first time a comparison of several machine learning methods for mixture identification in the context of natural gas emissions monitoring by mixed potential sensor arrays. Random Forest, Artificial Neural Network, and Nearest Neighbor methods successfully classified air mixtures containing only CH 4 , two types of natural gas simulants, and CH 4 +NH 3 with >98% identification accuracy. The model complexity of these methods were optimized and the degree of robustness against overfitting was determined. Finally, these methods are benchmarked on both desktop PC and single-board computer hardware to simulate their application in a portable internet-of-things sensor package. The combined results show that the random forest method is the preferred method for mixture identification with its high accuracy (>98%), robustness against overfitting with increasing model complexity, and had less than 10 ms training time and less than 0.1 ms inference time on single-board computer hardware.

03 NATURAL GAS↗

NASA NTRS1991

National Aeronautics and Space Administration (NASA)/american Society for Engineering Education (ASEE) Summer Faculty Fellowship Program, 1991, Volume 2

The objectives of the program are: (1) to further the professional knowledge of qualified engineering and science faculty members; (2) to stimulate an exchange of ideas between participants and NASA; (3) to enrich and refresh the research and teaching activities of participant's institutions; and (4) to contribute to the research objectives of the NASA Centers. A compilation of the final reports on the research projects done by the faculty fellows during the summer of 1991 are presented. Some of the topics covered include: collision avoidance for rover vehicles, bioinstrumentation, neural nets, total quality management of flexible space structures, project scheduling, nondestructive tests, orthostatic intolerance to bedrest, hypersonic reentry simulation, measuring human energy expenditure, tribological models, trace element movement in Anarctic ice, gastrointestinal function, and computer assisted instruction.

Hyman, William A.↗

NASA NTRS1996

Unipolar Terminal-Attractor Based Neural Associative Memory with Adaptive Threshold

A unipolar terminal-attractor based neural associative memory (TABAM) system with adaptive threshold for perfect convergence is presented. By adaptively setting the threshold values for the dynamic iteration for the unipolar binary neuron states with terminal-attractors for the purpose of reducing the spurious states in a Hopfield neural network for associative memory and using the inner-product approach, perfect convergence and correct retrieval is achieved. Simulation is completed with a small number of stored states (M) and a small number of neurons (N) but a large M/N ratio. An experiment with optical exclusive-OR logic operation using LCTV SLMs shows the feasibility of optoelectronic implementation of the models. A complete inner-product TABAM is implemented using a PC for calculation of adaptive threshold values to achieve a unipolar TABAM (UIT) in the case where there is no crosstalk, and a crosstalk model (CRIT) in the case where crosstalk corrupts the desired state.

Liu, Hua-Kuang↗

DOE OSTI2024

Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns

Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.

14 SOLAR ENERGY↗

DOE OSTI2022

Bridging microscopy with molecular dynamics and quantum simulations: an atomAI based pipeline

Recent advances in (scanning) transmission electron microscopy have enabled a routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for atomistic simulations. In this fashion, the theory will address experimentally emerging structures, as opposed to the full range of theoretically possible atomic configurations. However, this challenge is highly nontrivial due to the extreme disparity between intrinsic timescales accessible to modern simulations and microscopy, as well as latencies of microscopy and simulations per se. Addressing this issue requires as a first step bridging the instrumental data flow and physics-based simulation environment, to enable the selection of regions of interest and exploring them using physical simulations. Here we report the development of the machine learning workflow that directly bridges the instrument data stream into Python-based molecular dynamics and density functional theory environments using pre-trained neural networks to convert imaging data to physical descriptors. Additionally, the pathways to ensure structural stability and compensate for the observational biases universally present in the data are identified in the workflow. This approach is used for a graphene system to reconstruct optimized geometry and simulate temperature-dependent dynamics including adsorption of Cr as an ad-atom and graphene healing effects. However, it is universal and can be used for other material systems.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Modeled Surface-Atmosphere Fluxes From Paired Sites in the Upper Great Lakes Region Using Neural Networks

The eddy covariance (EC) method is one of the most widely used approaches to quantify surface-atmosphere fluxes. However, scaling up from a single EC tower to the landscape remains an open challenge. To address this, we used 63 site years of data to examine simulated annual and growing season sums of carbon fluxes from three paired land-cover type sites of corn, restored-prairie, and switchgrass ecosystems. This was also done across the landscape by modeling fluxes using different land-cover type input data. An artificial neural network (ANN) approach was used to model net ecosystem exchange (NEE), ecosystem respiration (R eco ), and gross primary production (GPP) at one paired site using environmental observations from the second site only. With a mean spatial separation of 11 km between paired sites, we were able to model annual sums of NEE, R eco , and GPP with uncertainties of 20%, 22%, and 8%, respectively, relative to observation sums. When considering the growing season only, model uncertainties were 17%, 22%, and 9%, respectively for the three flux terms. We also show that ANN models can estimate sums of R eco and GPP fluxes without needing the constraint of similar land-cover-type, with annual uncertainties of 12% and 10%. These results provide new insights to scaling up observations from one EC site beyond the footprint of the EC tower to multiple land-cover types across the landscape.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Adaptive Data-Driven Model Predictive Control for Heat Pipe Microreactors

To establish a technical basis for self-regulating microreactors, a model predictive control (MPC) system is investigated to proactively respond to anomalies and disturbances in anticipation of potential deviations from operating setpoints. Due to the difficulty of developing a physics-based surrogate model that can accurately match plant data in various operating conditions, machine learning algorithms are used in MPC, which allow for learning from both simulation and operation data, thus efficiently describing the targeted transient with arbitrary accuracy. However, one of the biggest concerns in applying ML algorithms like artificial neural networks (ANNs) is that the predictive capabilities of ANN are limited by training data. If there are gaps between the training and target domain, the accuracy of an ANN can degrade significantly when it is used to predict unseen data. To improve the predictive capability of ANN and enable a confident use of data-driven MPCs outside the training data, this study proposes an adaptive data-driven MPC framework. The system will monitor the discrepancy between plant responses and surrogate predictions, fine-tune the ANN-based surrogate when a large discrepancy is detected, and continue MPC operation with updated surrogates. The framework is demonstrated on a point kinetic model for microreactors. The hyperparameters of the update strategy, including layers to update, error thresholds, learning rate discount, and number of data points used for fine-tuning, are optimized so the simulated microreactor is able to follow changes in setpoint with the smallest of deviations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Adaptable Data Driven Model Predictive Control for Heat Pipe Microreactors

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Towards Physics Guided Optical Flow for Tracking Atmospheric Motion

Observations of atmospheric 3D winds are critical for improving short-range and long-range forecasting. Such advancement in forecasting directly applies to research in a number of areas including convective processes, wildfire plumes and tornado prediction. Atmospheric Motion Vectors (AMVs) provide a passively sensed approach to quantifying horizontal motion and cloud heights, which are typically sourced from geostationary sensors due to the availability of high frequency observations. Recent work has shown that estimating AMVs by tracking individual pixels with dense optical flow is a promising new direction. In this work, we compare state-of-the-art convolutional neural networks for optical flow in a physics-guided deep learning framework for predicting AMVs. The approach is semi-supervised and uses physically informed wind vectors from high-resolution numerical simulations for supervised learning followed by fine-tuning though warping and reconstruction of full-disk geostationary images (GOES-16). In the vertical direction, we use labels from the CALIPSO low-earth orbit satellite to predict cloud height from 16-band geostationary images with a neural network. We present results for both tasks on held-out time periods and secondary datasets.

Geostationary↗

NASA NTRS2023

Robustness of Gridded Precipitation Products for Vietnam Basins using the Comprehensive Assessment Framework of Rainfall

The use of satellite–based precipitation products (SPPs) have become increasingly prevalent as key inputs to provide regional rainfall for improving hydrological simulations in data–spare regions. This study introduces a new approach – Comprehensive Assessment Framework of Rainfall (CAFR) to evaluate six satellite–based precipitation products (SPPs) for eleven basins with different sizes across Vietnam (2007–2015). These SPPs include the Global Precipitation Mission (GPM) Integrated Multi-satellitE Retrievals for Global Precipitation Measurement Final run Version 6 (GPM IMERGF V6), Multi–Source Weighted–Ensemble Precipitation (MSWEP) V2.2, Soil Moisture to Rain (SM2RAIN) – Advanced SCATterometer (ASCAT) V1.5, Asian Precipitation–Highly–Resolved Observational Data Integration Towards Evaluation (APHRODITE) V1901, Climate Hazards group Infrared Precipitation with Stations (CHIRPS) V2.0, and Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks (PERSIANN) – Climate Data Record (CDR) V1.0. With the proposed CAFR: (1) IMERGF is suggested to have the best performance overall, especially when simulating flood peaks; (2) SM2RAIN–ASCAT demonstrates the best skills in metrics related to the dry season; (3) For streamflow simulations, SPPs' performance is sensitive to basin size, with larger basins showing better performance skills. In this study, we demonstrate the capability of our proposed framework to better understand SPP applications in hydrological modeling.

Comprehensive Assessment Framework of Rainfall (CA↗

DOE OSTI2023

Deconvoluting experimental decay energy spectra: The O 26 case

In nuclear reaction experiments, the measured decay energy spectra can give insights into the shell structure of decaying systems. However, extracting the underlying physics from the measurements is challenging due to detector resolution and acceptance effects. The Richardson-Lucy (RL) algorithm, a deblurring method that is commonly used in optics and has proven to be a successful technique for restoring images, was applied to our experimental nuclear physics data. The only inputs to the method are the observed energy spectrum and the detector's response matrix also known as the transfer matrix. We demonstrate that the technique can help access information about the shell structure of particle-unbound systems from the measured decay energy spectrum that is not immediately accessible via traditional approaches such as χ-square fitting. For a similar purpose, we developed a machine learning model that uses a deep neural network (DNN) classifier to identify resonance states from the measured decay energy spectrum. We tested the performance of both methods on simulated data and experimental measurements. Then, we applied both algorithms to the decay energy spectrum of 26 O → 24 O + n + n measured via invariant mass spectroscopy. Here, the resonance states restored using the RL algorithm to deblur the measured decay energy spectrum agree with those found by the DNN classifier. Both deblurring and DNN approaches suggest that the raw decay energy spectrum of 26 O exhibits three peaks at approximately 0.15 MeV, 1.50 MeV, and 5.00 MeV, with half-widths of 0.29 MeV, 0.80 MeV, and 1.85 MeV, respectively.

Spectrometers & spectroscopic techniques↗

NASA NTRS2016

Psychophysiological Sensing and State Classification for Attention Management in Commercial Aviation

Attention-related human performance limiting states (AHPLS) can cause pilots to lose airplane state awareness (ASA), and their detection is important to improving commercial aviation safety. The Commercial Aviation Safety Team found that the majority of recent international commercial aviation accidents attributable to loss of control inflight involved flight crew loss of airplane state awareness, and that distraction of various forms was involved in all of them. Research on AHPLS, including channelized attention, diverted attention, startle / surprise, and confirmation bias, has been recommended in a Safety Enhancement (SE) entitled "Training for Attention Management." To accomplish the detection of such cognitive and psychophysiological states, a broad suite of sensors has been implemented to simultaneously measure their physiological markers during high fidelity flight simulation human subject studies. Pilot participants were asked to perform benchmark tasks and experimental flight scenarios designed to induce AHPLS. Pattern classification was employed to distinguish the AHPLS induced by the benchmark tasks. Unimodal classification using pre-processed electroencephalography (EEG) signals as input features to extreme gradient boosting, random forest and deep neural network multiclass classifiers was implemented. Multi-modal classification using galvanic skin response (GSR) in addition to the same EEG signals and using the same types of classifiers produced increased accuracy with respect to the unimodal case (90 percent vs. 86 percent), although only via the deep neural network classifier. These initial results are a first step toward the goal of demonstrating simultaneous real time classification of multiple states using multiple sensing modalities in high-fidelity flight simulators. This detection is intended to support and inform training methods under development to mitigate the loss of ASA and thus reduce accidents and incidents.

Harrivel, Angela R.↗