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At least 379 records · Page 21

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are exploring hidden geothermal resources in the U.S.A. and designing profitable enhanced geothermal systems (EGS). Many processes and parameters control geothermal exploration and energy production from geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize subsurface geothermal conditions. Sparse and multi-scale characteristics of these datasets prohibit properly leveraging these datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. To address these necessities, ML-based geothermal resources exploration and enhanced geothermal systems (EGS) design tools have been developed. The exploration tool is called GeoThermalCloud and EGS design tool is called GeoDT-ML. GeoThermalCloud (https://github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. Also, it enables the identification of critical measurements needed to identify geothermal resource signatures. Alternatively, GeoDT-ML (https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS) is an ML-based alternative to GeoDT (https://github.com/GeoDesignTool/GeoDT.git), a fast, simplified multi-physics solver to evaluate EGS project designs in uncertain geologic systems. GeoDT-ML leverages recent advances in deep learning and high-performance computing. It is a faster and simpler version of GeoDT. To make this project a success, we used capabilities of LANL, PNNL, Google, Stanford, and Julia Computing. We analyzed eight datasets of the U.S.A. using GeothermalCloud and demonstrated potential highly prospective geothermal resources and identified key factors defining highly prospective sites. The first data set includes 44 locations in southwest New Mexico and 18 geological, hydrogeological, geophysical, geothermal, geochemical attributes. We defined low- and medium-temperature hydrothermal systems and discovered a new highly prospective site. The second data set analyzed 18 shallow water chemistry attributes at 14,342 locations in the Great Basin. It demarcated modestly, moderately, and highly prospective sites including key attributes for each type of prospectivity. The third data set analyzed Utah FORGE data including satellite (InSAR), geophysical (gravity, seismic), geochemical, and geothermal attributes. Here, we performed prospectivity analysis to identify future drilling locations using geological, geochemical, and geophysical attributes. Maps of temperature at depth and heat flow are constructed based on the available data. Prospectivity maps were generated, and drilling locations were proposed for future geothermal field exploration. The fourth data set analyzed 21 attributes at 120 locations in Tularosa Basin, New Mexico; data comes from past play fairway analyses in this region. ML analyses identified geothermal signatures associated with modestly, moderately, and highly hydrothermal systems. We also defined dominant attributes and spatial distribution of the geothermal signatures. The fifth, sixth, seventh, and eighth datasets include Tohatchi Springs, New Mexico, Hawaii, Brady site, Nevada, and EGS Collab, respectively. Moreover, we coupled GeothermalCloud and magnetotellurics data to pinpoint drilling locations for developing geothermal projects in the Tularosa Basin, New Mexico. GeothermalCloud found potential prospective locations for geothermal resources near White Sands Missile Range and McGregor Range at Fort Bliss. Magnetotellurics data determined the potential depth (~1800m) of geothermal prospects at McGregor Range based on apparent resistivity structures/layers in the subsurface. The McGregor Range consists of three resistivity layers and two resistivity structures. Magnetotellurics data also helps identify that the western portion of the McGregor Range has thick and low-resistivity earth materials. The low resistivity to the west is most likely for a fault system. Assuming temperature is consistent with a geothermal reservoir, the west-central part of the McGregor Range has the highest geothermal potential because of the increase in porosity and associated permeability attributed to the interpreted fault system. Also, we devised a coupling strategy between a process model and GeothermalCloud to characterize hydrogeological conditions and geothermal conditions, respectively. The process model characterizes hydrogeological and geothermal conditions on highly prospective geothermal sites provided by GeothermalCloud. We developed a physics-informed neural network (PINN) version of the Burns equation that can be easily coupled with GeothermalCloud. Furthermore, we performed an optimal design decision maximizing the economic value of an EGS power plant. This study optimized the range of well spacing between injection and production wells maximizing net present value in dollars (NPV). For this task, we used the GeoDT to simulate the Utah FORGE EGS development cycle from the initial well design to the end of production. Next, we accomplished another crucial task, which is predicting permeability of geothermal reservoirs. Predicting permeability of geothermal reservoirs is a non-trivial task because of huge computational runtime of simulation and lack of measurements. To avoid these limitations, we used easy-to-measure chemical concentrations in the subsurface as measurement data and convolutional neural network based ML model of a high-fidelity model. Next, we predicted permeability using Markov chain Monte Carlo simulation. We found that Markov chain Monte Carlo simulation predicts permeability with a high certainty if the prediction zone in the simulation area has chemical concentration data. Finally, we analyzed the DOE funded INGENIOUS and GeoDAWN projects data. For discovering hidden geothermal systems in the Great Basin, the INGENIOUS project accumulated old data, collected new data, and released them in 2022. The dataset includes a total of 24 geological, geophysical, and geochemical attributes. Data resolution and scale significantly vary prohibiting an appropriate usage. To avoid such limitations, we brought all data in the same resolution and scale by applying the inverse distance weighting interpolation technique for predicting data in unsampled locations. Subsequently, we analyzed LiDAR data of the GeoDAWN project. We received data in tiles format. The DOE’s overarching goal is to use ML on LiDAR data for finding favorable geological structures (e.g., step up faults in Brady, Nevada). To serve the purpose, we need to label favorable geologic structures that correspond to LiDAR data. We wrote an algorithm to label the LiDAR data with the favorable geologic structures.

15 GEOTHERMAL ENERGY↗

SU-E-J-183: Quantifying the Image Quality and Dose Reduction of Respiratory Triggered 4D Cone-Beam Computed Tomography with Patient- Measured Breathing

Purpose: Respiratory triggered four dimensional cone-beam computed tomography (RT 4D CBCT) is a novel technique that uses a patient's respiratory signal to drive the image acquisition with the goal of imaging dose reduction without degrading image quality. This work investigates image quality and dose using patient-measured respiratory signals for RT 4D CBCT simulations instead of synthetic sinusoidal signals used in previous work. Methods: Studies were performed that simulate a 4D CBCT image acquisition using both the novel RT 4D CBCT technique and a conventional 4D CBCT technique from a database of oversampled Rando phantom CBCT projections. A database containing 111 free breathing lung cancer patient respiratory signal files was used to create 111 RT 4D CBCT and 111 conventional 4D CBCT image datasets from realistic simulations of a 4D RT CBCT system. Each of these image datasets were compared to a ground truth dataset from which a root mean square error (RMSE) metric was calculated to quantify the degradation of image quality. The number of projections used in each simulation is counted and was assumed as a surrogate for imaging dose. Results: Based on 111 breathing traces, when comparing RT 4D CBCT with conventional 4D CBCT the average image quality was reduced by 7.6%. However, the average imaging dose reduction was 53% based on needing fewer projections (617 on average) than conventional 4D CBCT (1320 projections). Conclusion: The simulation studies using a wide range of patient breathing traces have demonstrated that the RT 4D CBCT method can potentially offer a substantial saving of imaging dose of 53% on average compared to conventional 4D CBCT in simulation studies with a minimal impact on image quality. A patent application (PCT/US2012/048693) has been filed which is related to this work.

60 APPLIED LIFE SCIENCES↗

TomoGAN: low-dose synchrotron x-ray tomography with generative adversarial networks: discussion

Synchrotron-based x-ray tomography is a noninvasive imaging technique that allows for reconstructing the internal structure of materials at high spatial resolutions from tens of micrometers to a few nanometers. In order to resolve sample features at smaller length scales, however, a higher radiation dose is required. Therefore, the limitation on the achievable resolution is set primarily by noise at these length scales. We present TomoGAN, a denoising technique based on generative adversarial networks, for improving the quality of reconstructed images for low-dose imaging conditions. We evaluate our approach in two photon-budget-limited experimental conditions: (1) sufficient number of low-dose projections (based on Nyquist sampling), and (2) insufficient or limited number of high-dose projections. In both cases, the angular sampling is assumed to be isotropic, and the photon budget throughout the experiment is fixed based on the maximum allowable radiation dose on the sample. Evaluation with both simulated and experimental datasets shows that our approach can significantly reduce noise in reconstructed images, improving the structural similarity score of simulation and experimental data from 0.18 to 0.9 and from 0.18 to 0.41, respectively. Furthermore, the quality of the reconstructed images with filtered back projection followed by our denoising approach exceeds that of reconstructions with the simultaneous iterative reconstruction technique, showing the computational superiority of our approach.

42 ENGINEERING↗

Geo Thermal Cloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The project is motivated by the challenges, risks, and costs associated with geothermal exploration and production. Many processes and parameters impacting geothermal conditions are poorly understood. Diverse datasets are available to help characterize subsurface geothermal conditions (public and proprietary; satellite, airborne surveys, vegetation/water sampling, geological, geophysical, etc.). Yet, it is not clear how to properly leverage these datasets for geothermal exploration due to an incomplete understanding of how physical processes impacting subsurface geothermal conditions are represented in these observations. Recent advancements in machine learning (ML) provide great promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. Our goals and work under Phases 1 and 2 (as proposed) of this project address all these needs.

15 GEOTHERMAL ENERGY↗

Electron Energy Regression in High-Granularity Calorimeter Prototype

The dataset consists of simulations of calibrated reconstructed hits produced by a positron passing through the HGCAL test beam prototype. For the simulations, Monte Carlo method is used to produce the positrons with energy ranging from 10 to 350 GeV. The dataset contains the coordinates of the calibrated reconstructed hits in the prototype along with the calibrated energy in units of MIP. The HDF5 files can be extracted from the gzip files.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sharpness-Aware Low-Dose CT Denoising Using Conditional Generative Adversarial Network

Low-dose computed tomography (LDCT) has offered tremendous benefits in radiation-restricted applications, but the quantum noise as resulted by the insufficient number of photons could potentially harm the diagnostic performance. Current image-based denoising methods tend to produce a blur effect on the final reconstructed results especially in high noise levels. In this paper, a deep learning-based approach was proposed to mitigate this problem. An adversarially trained network and a sharpness detection network were trained to guide the training process. Experiments on both simulated and real dataset show that the results of the proposed method have very small resolution loss and achieves better performance relative to state-of-the-art methods both quantitatively and visually.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

CaloScore v2: single-shot calorimeter shower simulation with diffusion models

Diffusion generative models are promising alternatives for fast surrogate models, producing high-fidelity physics simulations. However, the generation time often requires an expensive denoising process with hundreds of function evaluations, restricting the current applicability of these models in a realistic setting. In this work, we report updates on the CaloScorearchitecture, detailing the changes in the diffusion process, which produces higher quality samples, and the use of progressive distillation, resulting in a diffusion model capable of generating new samples with a single function evaluation. Here we demonstrate these improvements using the Calorimeter Simulation Challenge 2022 dataset.

47 OTHER INSTRUMENTATION↗

Climatological Structures of the GRIPS Models: Mean States and Forcing

The GCM-Reality Intercomparison Project for SPARC (GRIPS) is assessing and monitoring the performance of state-of-the-art general circulation models (GCMs). A wide variety of tasks have been initiated. These are designed to: (1) assess the ability of the GCMs to represent the current climatological structure of the troposphere and middle atmosphere,(2) to compare their response to imposed forcing anomalies, and (3) to estimate the certainty with which future climate perturbations can be predicted. This paper is concerned with assessments of the climatological states in the GCM simulations. Comparing the simulations with observational datasets reveals considerable discrepancies in the modelled fields. While it might be anticipated that certain types of biases in the model simulations might be related to the formulation of different aspects of the numerical package (dynamical schemes, cloud schemes, radiation transfer, inclusion of gravity wave drag), there is no clear relationship between these features. This paper attempts to draw a more comprehensive picture of the GCMs'performance than has previously been shown, by comparing the dominant forcing mechanisms in the models with observational estimates, and relating model deficiencies to the differences in the physical mechanisms in the GCMS.

Pawson, Steven↗

PROTON KINETIC EFFECTS IN VLASOV AND SOLAR WIND TURBULENCE

Kinetic plasma processes are investigated in the framework of solar wind turbulence, employing hybrid Vlasov-Maxwell (HVM) simulations. Statistical analysis of spacecraft observation data relates proton temperature anisotropy T /T {sub ∥} and parallel plasma beta β{sub ∥}, where subscripts refer to the ambient magnetic field direction. Here, this relationship is recovered using an ensemble of HVM simulations. By varying plasma parameters, such as plasma beta and fluctuation level, the simulations explore distinct regions of the parameter space given by T /T {sub ∥} and β{sub ∥}, similar to solar wind sub-datasets. Moreover, both simulation and solar wind data suggest that temperature anisotropy is not only associated with magnetic intermittent events, but also with gradient-type structures in the flow and in the density. This connection between non-Maxwellian kinetic effects and various types of intermittency may be a key point for understanding the complex nature of plasma turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗

Pion Energy Regression in High-Granularity Calorimeter Prototype

The dataset consists of simulations of calibrated reconstructed hits produced by a pion passing through the HGCAL test beam prototype. For the simulations, Monte Carlo method is used to produce the pions with energy ranging from 10 to as high as 500 GeV. The dataset contains the coordinates of the calibrated reconstructed hits in the prototype along with the calibrated energy in units of MIP. The HDF5 files can be extracted from the gzip files.

FAIR4HEP↗

Data and scripts associated with the manuscript "Estimating soil moisture and salinity response to simulated coastal flooding using time-lapse electrical resistivity and induced polarization monitoring”

This package contains geophysics datasets generated during the simulated ecosystem-flooding experiment – TEMPEST (Terrestrial Ecosystem Manipulation to Probe the Effects of Storm Treatment). These geophysics data consist of Electrical Resistivity Imaging (ERI) and Induced Polarization (IP) datasets collected to estimate the soil moisture and salinity response to the simulated coastal flooding experiment. In addition to using geophysics datasets to estimate soil moisture and salinity response, petrophysical relationship between the measured resistivity and moisture content and salinity using the multisalinity. This package consists of two folders: “MultiSalinity Experiment” folder and “TEMPEST Experiment and petrophysical conversion” folders. The “MultiSalinity Experiment” folder contains the datasets generated from the multisalinity experiment used to develop the petrophysical reslationship. The “TEMPEST Experiment and petrophysical conversion” folder contains ERI, IP, Ground Penetrating Radar (GPR) and Electromagnetic Induction (EMI) datasets collected during the TEMPEST experiment. This study shows the ability to used geophysical datasets in estimating moisture content and salinity at scale will be useful in calibrating Earth System Models.

54 ENVIRONMENTAL SCIENCES↗

Optimizing tertiary storage organization and access for spatio-temporal datasets

We address in this paper data management techniques for efficiently retrieving requested subsets of large datasets stored on mass storage devices. This problem represents a major bottleneck that can negate the benefits of fast networks, because the time to access a subset from a large dataset stored on a mass storage system is much greater that the time to transmit that subset over a network. This paper focuses on very large spatial and temporal datasets generated by simulation programs in the area of climate modeling, but the techniques developed can be applied to other applications that deal with large multidimensional datasets. The main requirement we have addressed is the efficient access of subsets of information contained within much larger datasets, for the purpose of analysis and interactive visualization. We have developed data partitioning techniques that partition datasets into 'clusters' based on analysis of data access patterns and storage device characteristics. The goal is to minimize the number of clusters read from mass storage systems when subsets are requested. We emphasize in this paper proposed enhancements to current storage server protocols to permit control over physical placement of data on storage devices. We also discuss in some detail the aspects of the interface between the application programs and the mass storage system, as well as a workbench to help scientists to design the best reorganization of a dataset for anticipated access patterns.

Chen, Ling Tony↗

The high explosives & affected targets (HEAT) dataset

Artificial Intelligence (AI) surrogate models offer a computationally efficient alternative to full-physics simulations, yet no existing datasets are publicly available for training, testing, and validation of machine learning models of the dynamics of high-explosive driven shocks through multiple materials. Shock propagation through materials is a computationally challenging problem because simulations must include material-specific equations of state (EOS) along with descriptions of other physical processes such as plastic deformation, phase change, damage processes, fluid instabilities, and multi-material interactions. Shocks are typically initiated by high-velocity impacts or explosive loading. The latter case necessitates the addition of models of reactive materials to represent high-explosive (HE) detonation. Here, to address the lack of an expansive dataset for multi-material shock propagation in the AI/ML community, we present the High-Explosives and Affected Targets (HEAT) Dataset. HEAT is a physics-rich collection of two-dimensional, cylindrically symmetric, simulations generated using an Eulerian, multi-material, shock-propagation code developed at Los Alamos National Laboratory. The dataset includes two partitions: (1) the expanding shock-cylinder (CYL) simulations, Figs. 1, and (2) the Perturbed Layered Interface (PLI) simulations, Fig. 2. Entries in both partitions consist of time series of arrays of thermodynamic fields (pressure, density, and temperature), kinematic fields (position and velocity), and additional fields that depend on thermodynamic and/or kinematic fields (e.g., material stress). Materials in the CYL partition include solids (aluminium, copper, depleted uranium, stainless steel, tantalum, and a generic polymer), a liquid (water), gases (air, nitrogen), and a generic detonating material (high explosive, HE). The PLI partition spans a highly varying geometry but consists of fixed materials across entries: Copper, aluminium, stainless steel, generic polymer, and generic HE. HEAT captures critical phenomena such as momentum transfer, shock propagation, plastic deformation, and thermal effects, making HEAT a valuable benchmark for development of AI/ML emulation of multi-material shock propagation.

36 MATERIALS SCIENCE↗

Development of a River Dynamical Core for E3SM to simulate compound flooding on Exascale-class heterogeneous supercomputers

Flooding events pose significant risk to human life, property, and infrastructure. Physically-consistent quantification of altered flood risks in global models requires hyper-resolution (~1 km) or fine flood simulations using two-dimensional (2D) physics schemes, both of which are unavailable in the current generation Earth System Models. Here, in this work, we have developed the River Dynamical Core (RDycore), which is an open-source, 2D shallow water equation (SWE) library for the U.S. Department of Energy's Energy Exascale Earth System Model (E3SM). RDycore uses PETSc and libCEED libraries that allows it to run efficiently on CPUs and GPUs, as well as select a time-integration algorithm at runtime without requiring any code modifications. RDycore achieves spatial error convergence rates for problems with analytical and manufactured solutions similar to those reported previously in the literature, or consistent with the implemented first-order spatial discretization scheme. RDycore's accuracy in predicting flooding for a well-studied dam break problem is comparable to existing SWE models. For a problem with 471 million grid cells, RDycore achieves a speedup of 6.6x and 7.6x on GPUs compared to CPUs when using 320 compute nodes on DOE's Perlmutter and Frontier supercomputers, respectively. The one-way coupling of the RDycore library within E3SM is demonstrated by performing multiple 5-day flooding simulations during Hurricane Harvey driven by five precipitation datasets. The E3SM--RDycore simulations at 30 m spatial resolution accurately simulate maximum water height during the hurricane when benchmarked against a previously published study and achieve a speedup of 15x (Perlmutter) and 21x (Frontier) on GPUs relative to CPUs. The work presented here is the foundational step in providing hardware and algorithmic portability framework for simulating kilometer-scale river dynamics within E3SM.

Flood Simulation↗

mpfit: a robust method for fitting atomic resolution images with multiple Gaussian peaks

The standard technique for sub-pixel estimation of atom positions from atomic resolution scanning transmission electron microscopy images relies on fitting intensity maxima or minima with a two-dimensional Gaussian function. While this is a widespread method of measurement, it can be error prone in images with non-zero aberrations, strong intensity differences between adjacent atoms or in situations where the neighboring atom positions approach the resolution limit of the microscope. Here we demonstrate mpfit, an atom finding algorithm that iteratively calculates a series of overlapping two-dimensional Gaussian functions to fit the experimental dataset and then subsequently uses a subset of the calculated Gaussian functions to perform sub-pixel refinement of atom positions. Based on both simulated and experimental datasets presented in this work, this approach gives lower errors when compared to the commonly used single Gaussian peak fitting approach and demonstrates increased robustness over a wider range of experimental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Gaussian Process Regression for Aggregate Baseline Load Forecasting

Demand response (DR) is one of the most effective ways to maintain the reliability and improve the flexibility of power systems. Accurate forecasts of baseline loads are essential for DR programs. In the era of big data, machine learning-based approaches present a unique opportunity for baseline load forecasting. Thus, this paper presents a machine learning-based approach using a relatively less explored algorithm, Gaussian process regression (GPR), to forecast aggregate baseline loads. As such, a dataset was generated using a set of EnergyPlus simulations. Using the generated dataset, a GPR-based forecasting model was developed. In addition, support vector regression (SVR)-, artificial neural network (ANN)-, and averaging-based models were developed as baseline models for comparison. These models were compared in terms of accuracy, simplicity, and integrity. The prediction performance of the models showed that the GPR-based model is more accurate and reliable than the others. Such high performance shows the potential of the GPR in baseline load forecasting. GPR, therefore, can be used for DR applications.

Amasyali, Kadir↗

DESPERATE: A Python Library for Processing and Denoising NMR Spectra

NMR spectroscopy is an inherently insensitive technique with respect to the amount of observable signal. A common element in all NMR spectra is random thermal noise that is often characterized by a signal-to-noise ratio (SNR). SNR can be generically improved experimentally with repetitive signal averaging or during post-processing with apodization; the former of which often results in long experimental times and the latter results in the loss of spectral resolution. Denoising techniques can instead be used during post-processing to enhance SNR without compromising resolution. The most common approach relies on the singular-value decomposition (SVD) to discard noisy components of NMR data. SVD-based approaches work well, such as Cadzow and PCA, but are computationally expensive when used for large datasets that are often encountered in NMR (e.g., Carr-Purcell/Meiboom-Gill and nD datasets). Herein, we describe the implementation of a new wavelet transform (WT) routine for the fast and robust denoising of 1D and 2D NMR spectra. Several simulated and experimental datasets are denoised with both SVD-based Cadzow or PCA and WT’s, and the resulting SNR enhancements and spectral uniformity are compared. WT denoising offers similar and improved denoising compared with SVD and operates faster by several orders-of-magnitude in some cases. Further, all denoising and processing routines used in this work are included in a free and open-source Python library called DESPERATE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗