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At least 289 records · Page 16

Bayes Inference Engine (BIE) Test Plan: TiltConeBeamComboDMGeometric

The Bayes Inference Engine (BIE) is a general software tool intended to be used primarily in the analysis of radiographic data for density. An analysis is set up in the BIE by representing the problem as a collection of modules called glyphs. All glyphs to be used in creating the forward model of the experiment will be tested separately for a range of inputs.

97 MATHEMATICS AND COMPUTING↗

Bayes Inference Engine (BIE) Test Plan: TiltConeBeamFVT

The Bayes Inference Engine (BIE) is a general software tool intended to be used primarily in the analysis of radiographic data for density. An analysis is set up in the BIE by representing the problem as a collection of modules called glyphs. All glyphs to be used in creating the forward model of the experiment will be tested separately for a range of inputs. The testing of the adjoint code is performed in a separate document.

97 MATHEMATICS AND COMPUTING↗

Integrated Data Analysis to Improve Te and Zeff Measurement on NSTX-U

The multi-energy soft x-ray (ME-SXR) camera is a new concept for a fusion plasma diagnostic based on a pixelated detector with adjustable photon cutoff thresholds. It is a single, compact, solid-state detector which combines spatial and spectral sensitivity and can be configured remotely at run time, making it ideal for a fusion environment. The detector can be configured for application to a wide range of physics problems including impurity transport, electron temperature profiles, and non-thermal effects. The detector has been installed on the Madison Symmetric Torus (MST) as part of a collaboration between Princeton Plasma Physics Laboratory and the University of Wisconsin–Madison to develop the technology and analysis techniques. A full diagnostic forward model of the ME-SXR diagnostic has been developed to enable analysis of the raw photon count data. This model incorporates the atomic physics underlying the plasma emission, diagnostic geometry, and detector response characteristics. Employing this model, a Bayesian analysis approach is used to extract electron temperature from the raw data. This analysis approach uses all available information, clearly quantifies prior information, and handles uncertainties transparently. The ME-SXR camera is being used to study the 3D (helical, stellarator-like) state that forms in the MST device. This helical core structure has improved energy confinement. The transition to the helical state is accompanied by a rise in electron temperature in the central part of the helical structure, but then this enhancement fluctuates. The characteristics of this fluctuation are being compared to a magneto-hydrodynamics model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Novel use of Direct Simulation Monte-Carlo to Model Dynamics of COVID-19 Pandemic Spread

In this report, we evaluate a novel method for modeling the spread of COVID-19 pandemic. In this new approach we leverage methods and algorithms developed for fully-kinetic plasma physics simulations using Particle-In-Cell (PIC) Direct Simulation Monte-Carlo (DSMC) models. This approach then leverages Sandia-unique simulation capabilities, and High-Performance Computer (HPC) resources and expertise in particle-particle interactions using stochastic processes. Our hypothesis is that this approach would provide a more efficient platform with assumptions based on physical data that would then enable the user to assess the impact of mitigation strategies and forecast different phases of infection. This work addresses key scientific questions related to the assumptions this new approach must make to model the interactions of people using algorithms typically used for modeling particle interactions in physics codes (kinetic plasma, gas dynamics). The model developed uses rational/physical inputs while also providing critical insight; the results could serve as inputs to, or alternatives for, existing models. The model work presented was developed over a four-week time frame, thus far showing promising results and many ways in which this model/approach could be improved. This work is aimed at providing a proof-of-concept for this new pandemic modeling approach, which could have an immediate impact on the COVID-19 pandemic modeling, while laying a basis to model future pandemic scenarios in a manner that is timely and efficient. Additionally, this new approach provides new visualization tools to help epidemiologists comprehend and articulate the spread of this and other pandemics as well as a more general tool to determine key parameters needed in order to better predict pandemic modeling in the future. In the report we describe our model for pandemic modeling, apply this model to COVID-19 data for New York City (NYC), assess model sensitivities to different inputs and parameters and , finally, propagate the model forward under different conditions to assess the effects of mitigation and associated timing. Finally, our approach will help understand the role of asymptomatic cases, and could be extended to elucidate the role of recovered individuals in the second round of the infection, which is currently being ignored.

59 BASIC BIOLOGICAL SCIENCES↗

Limited-view Cone Beam CT reconstruction using 3D Patch-based Supervised and Adversarial Learning [Slides]

We present a novel machine learning CNN architecture that can learn from limited data combined appropriately with physics and statistical priors (e.g., forward models and noise models). To address the limited availability of training data we adopt a 3D patch-based approach for our models. Patch-based learning is central to several image reconstruction methods and demands fewer training data than DL approaches, as a single data volume can be broken into several millions of overlapping 3D sub-volumes or patches. This creates a very large number of training sub-volumes from a limited number of overall image volumes. A 3D Generative Adversarial Networks (GAN) is then trained to remove artifacts at the sub-volume level. The combination of a sub-volume-based approach with DL allows us to exploit the richness of the latter in extracting and representing image features, while avoiding risks associated with overfitting due to limited training data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dark Field Proton Radiography (Los Alamos LDRD Report)

Proton radiography at LANL (pRad) takes advantage of the high flux, high proton energy, and flexible timing structure of LANSCE's 800-MeV proton beam to visualize dense, dynamic systems under extreme strain. With recent needs identified for the development of the W93, the pRad team has been actively searching for ways to increase the facility's radiographic capabilities. Recently, we discovered that utilizing two magnetic lenses (one upstream and one downstream of the object), and specific combinations of collimator choices within the two lenses, that the signal-to-noise ratio was improved by more than a factor of two. However, we did not fully understand the mechanism, and found that results did not match forward modeling predictions. This work specifically sought to implement an engineering solution to solve this problem, through the development of an actuated collimator that reduced the time required to swap collimator settings from a typical 4-8 hours, to less than 30 seconds. This allowed, in combination with a unique multi-material, multi-resolution stepwedge, to acquire an unprecedently enormous dataset, with in total 24 collimation combinations, and multiple diffuser settings and pulse patterns, equivalent to almost a full run cycle's worth of data in a few days. This massive dataset is currently being harnessed to make a fully-predictive, ultra-fast Python-based model of the system, to dial in specific settings for any future experiments that fully optimize that radiographic sensitivity to the material of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Bayesian Cloud Property Retrievals from ARM Active and Passive Measurements

The optimum use of the continuous measurements of thermodynamics, radiation, aerosols, clouds and precipitation from the DOE Atmospheric Radiation Measurement (ARM) program is key to achieve the DOE Atmospheric System Research (ASR)’s objectives. One of the key mission requirements is to retrieve cloud and precipitation properties, as well as vertical motion parameters, along the vertical cross- section defined by the profiling active sensors. Such retrievals are challenging to perform continuously in the entire spectrum of cloud and precipitation conditions due to the large natural microphysical and dynamical variability, the often-limited information content in the measurements, and the lack of proper characterization of measurement quality and uncertainty. Today, the acquisition of new remote and in-situ sensors by the ARM program creates opportunities to address the microphysical retrieval problem by exploiting new, more robust retrieval techniques and integrating various scattered advancements in both sensor techniques and retrieval algorithms. During this project, we constructed a robust Bayesian Markov chain Monte Carlo (MCMC) cloud property retrieval algorithm that includes a state of the art radar forward model. Our MCMC-based retrieval produces both the best estimate of height-resolved cloud and precipitation properties in the radar profile, as well as an estimate of the in-cloud vertical motion and turbulence. In addition, the MCMC algorithm automatically produces robust and flexible estimates of retrieval uncertainty. We tested the algorithm on several synthetic cloud profiles obtained from large eddy simulation (LES) models with bin-resolved microphysics.

54 ENVIRONMENTAL SCIENCES↗

Event Location using Arrival Times from Seismic and Acoustic Phenomena

Accurately locating seismoacoustic sources with geophysical observations helps to monitor natural and anthropogenic phenomena. Sparsely deployed infrasound arrays can readily locate large sources thousands of kms away, but small events typically produce signals observable at only local to regional distances. At such distances, accurate location efforts rely on observations across smaller regional or temporary deployments which often consist of single-channel infrasound sensors that cannot record direction of arrival. Event locations can also be aided by inclusion of ground coupled airwaves (GCA). This study demonstrates how we can robustly locate a catalog of seismoacoustic events using infrasound, GCA, and seismic arrival times at local to near-regional distances. We employ a probabilistic location framework using simplified forward models. Our results indicate that both single-channel infrasound and GCA arrival times can provide accurate estimates of event location in the absence of array-based observations even when using simple models. However, one must carefully choose model uncertainty bounds to avoid underestimation of confidence intervals.

58 GEOSCIENCES↗

Evaluation of Potential DAS Array Geometries for the Source Physics Experiment, Phase III

Distributed Acoustic Sensing (DAS) is a rapidly developing technology that can record acoustic wavefields at high sampling rates and with dense spatial spacing difficult to achieve with seismometers. However, the geophysical community has not fully explored DAS survey parameters to characterize the ideal array design. A better quantitative understanding of DAS array behavior prior to SPE Phase III acquisition can help improve the quality of the data recorded by guiding the DAS array design. Here we use array response functions as well as beamforming and backprojection results from forward modelling calculations to assess the performance of varying DAS array geometries to record regional and local sources. A seven-sided polygon DAS array demonstrated improved capabilities for recording regional sources over segmented linear arrays, with potential improvements in recording and locating local sources. These results help reveal DAS array performance as a function of geometry.

58 GEOSCIENCES↗

Millimeter-Wave Imaging Technology Development for Real-Time 2D and 3D Fusion Plasma Diagnostics

Including a one year No-Cost Extension, The University of California, Davis has been funded since 2020 to advance innovative millimeter-wave diagnostics for fusion plasma research. This work includes: (1) Developing and applying cutting-edge System-on-Chip millimeter wave Integrated Circuit (IC) technology for Electron Cyclotron Emission Imaging (ECEI) and Microwave Imaging Reflectometry (MIR) on the DIII-D tokamak and the NSTX-U spherical tokamak. (2) Development of radiation-hardened millimeter-wave chip for diagnostics in harsh environments, utilizing wide bandgap Gallium Nitride (GaN) semiconductors. (3) Integrating forward-modeling synthetic diagnostics to enable advanced, real-time plasma prediction and feedback control. Originally planned as a three-year program (2020–2023), the project was granted a one-year no-cost extension, extending its duration through the end of 2024.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stochastic Ensemble Generation for Improved Characterization of Representing Geologic Variability in a Reservoir: IBDP Case Study for SMART Initiative

This document is a poster covering the findings from activities on training data generation, specifically geologic ensemble generation. The generated geologic realizations captured the range of possible permeability distributions of the subsurface at the Illinois Basin - Decatur Project (IBDP) site, based on available well log variabilities. The percentages of reservoirs and baffles in the injection zone and a truncation of baffle permeability led to more variance in the simulations. This will be used to build forward modeling, history matching, and optimization workflows. The geologic realizations were also ranked according to dynamic measures of hydraulic diffusivity, and simulations confirm a greater contrast between the reservoir and the baffles during injection.

stochastic ensemble generation↗

Deployment and Evaluation of SciStream on OLCF's Advanced Computing Ecosystem (ACE)

The growing demand for real-time analysis, experimental steering, and decision-making in scientific workflows has created a need for tightly coupled integrations between experimental facilities and high-performance computing (HPC) systems. The Department of Energy’s Integrated Research Infrastructure (IRI) initiative highlights data streaming as a key capability for enabling memory-to-memory data transfers, bypassing the limitations of traditional store-and-forward models. SciStream is a toolkit developed by researchers at Argonne National Laboratory (ANL) to support such streaming by addressing cross-domain security, delegated authentication, and application transparency. We deployed and evaluated SciStream on the Oak Ridge Leadership Computing Facility’s (OLCF) Advanced Computing Ecosystem (ACE) infrastructure, leveraging the Olivine OpenShift cluster and its high-bandwidth Data Streaming Nodes (DSNs) as gateway nodes. Our evaluation included synthetic streaming workloads derived from IRI science workflows, a streaming simulator, and integration with RabbitMQ to handle low-level messaging. This report documents the deployment process, performance evaluation, and challenges encountered, along with opportunities for future improvements.

97 MATHEMATICS AND COMPUTING↗

Performance of synthetic DAS as a function of array geometry

Distributed Acoustic Sensing (DAS) can record acoustic wavefields at high sampling rates and with dense spatial resolution difficult to achieve with seismometers. Using optical scattering induced by cable deformation, DAS can record strain fields with spatial resolution of a few meters. However, many experiments utilizing DAS have relied on unused, dark telecommunication fibers. As a result, the geophysical community has not fully explored DAS survey parameters to characterize the ideal array design. This limits our understanding of guiding principles in array design to deploy DAS effectively and efficiently in the field. A better quantitative understanding of DAS array behavior can improve the quality of the data recorded by guiding the DAS array design. Here we use steered response functions, which account for DAS fiber’s directional sensitivity, as well as beamforming and back-projection results from forward modelling calculations to assess the performance of varying DAS array geometries to record regional and local sources. A regular heptagon DAS array demonstrated improved capabilities for recording regional sources over other polygonal arrays, with potential improvements in recording and locating local sources. These results help reveal DAS array performance as a function of geometry and can guide future DAS deployments.

58 GEOSCIENCES↗

Machine Learning Predictions of Transition Probabilities in Atomic Spectra

Forward modeling of optical spectra with absolute radiometric intensities requires knowledge of the individual transition probabilities for every transition in the spectrum. In many cases, these transition probabilities, or Einstein A-coefficients, quickly become practically impossible to obtain through either theoretical or experimental methods. Complicated electronic orbitals with higher order effects will reduce the accuracy of theoretical models. Experimental measurements can be prohibitively expensive and are rarely comprehensive due to physical constraints and sheer volume of required measurements. Due to these limitations, spectral predictions for many element transitions are not attainable. In this work, we investigate the efficacy of using machine learning models, specifically fully connected neural networks (FCNN), to predict Einstein A-coefficients using data from the NIST Atomic Spectra Database. For simple elements where closed form quantum calculations are possible, the data-driven modeling workflow performs well but can still have lower precision than theoretical calculations. For more complicated nuclei, deep learning emerged more comparable to theoretical predictions, such as Hartree–Fock. Unlike experiment or theory, the deep learning approach scales favorably with the number of transitions in a spectrum, especially if the transition probabilities are distributed across a wide range of values. It is also capable of being trained on both theoretical and experimental values simultaneously. In addition, the model performance improves when training on multiple elements prior to testing. The scalability of the machine learning approach makes it a potentially promising technique for estimating transition probabilities in previously inaccessible regions of the spectral and thermal domains on a significantly reduced timeline.

74 ATOMIC AND MOLECULAR PHYSICS↗

DIAS: A Data-Informed Active Subspace Regularization Framework for Inverse Problems

This paper presents a regularization framework that aims to improve the fidelity of Tikhonov inverse solutions. At the heart of the framework is the data-informed regularization idea that only data-uninformed parameters need to be regularized, while the data-informed parameters, on which data and forward model are integrated, should remain untouched. We propose to employ the active subspace method to determine the data-informativeness of a parameter. The resulting framework is thus called a data-informed (DI) active subspace (DIAS) regularization. Four proposed DIAS variants are rigorously analyzed, shown to be robust with the regularization parameter and capable of avoiding polluting solution features informed by the data. They are thus well suited for problems with small or reasonably small noise corruptions in the data. Furthermore, the DIAS approaches can effectively reuse any Tikhonov regularization codes/libraries. Though they are readily applicable for nonlinear inverse problems, we focus on linear problems in this paper in order to gain insights into the framework. Various numerical results for linear inverse problems are presented to verify theoretical findings and to demonstrate advantages of the DIAS framework over the Tikhonov, truncated SVD, and the TSVD-based DI approaches.

Nguyen, Hai↗

Monitoring Offshore CO 2 Sequestration Using Marine CSEM Methods; Constraints Inferred from Field- and Laboratory-Based Gas Hydrate Studies

Offshore geological sequestration of CO 2 offers a viable approach for reducing greenhouse gas emissions into the atmosphere. Strategies include injection of CO 2 into the deep-ocean or ocean-floor sediments, whereby depending on pressure–temperature conditions, CO 2 can be trapped physically, gravitationally, or converted to CO 2 hydrate. Energy-driven research continues to also advance CO 2 -for-CH 4 replacement strategies in the gas hydrate stability zone (GHSZ), producing methane for natural gas needs while sequestering CO 2 . In all cases, safe storage of CO 2 requires reliable monitoring of the targeted CO 2 injection sites and the integrity of the repository over time, including possible leakage. Electromagnetic technologies used for oil and gas exploration, sensitive to electrical conductivity, have long been considered an optimal monitoring method, as CO 2 , similar to hydrocarbons, typically exhibits lower conductivity than the surrounding medium. We apply 3D controlled-source electromagnetic (CSEM) forward modeling code to simulate an evolving CO 2 reservoir in deep-ocean sediments, demonstrating sufficient sensitivity and resolution of CSEM data to detect reservoir changes even before sophisticated inversion of data. Laboratory measurements place further constraints on evaluating certain systems within the GHSZ; notably, CO 2 hydrate is measurably weaker than methane hydrate, and >1 order of magnitude more conductive, properties that may affect site selection, stability, and modeling considerations.

58 GEOSCIENCES↗

First Images of the Protoplanetary Disk around PDS 201

Scattered light imaging has revealed nearly a dozen circumstellar disks around young Herbig Ae/Be stars—enabling studies of structures in the upper disk layers as potential signs of ongoing planet formation. We present the first images of the disk around the variable Herbig Ae star PDS 201 (V* V351 Ori) and an analysis of the images and spectral energy distribution through 3D Monte Carlo radiative transfer simulations and forward modeling. The disk is detected in three data sets with the Large Binocular Telescope Interferometer/Large Binocular Telescope mid-infrared camera at the Large Binocular Telescope, including direct observations in the Ks and L′ filters, and an L′ observation with the 360° vector apodizing phase plate coronagraph. The scattered light disk extends to a very large radius of ∼250 au, which places it among the largest of such disks. Exterior to the disk, we establish detection limits on substellar companions down to ∼5 M {sub Jup} at ≳1.″5 (≳500 au), assuming the Baraffe et al. models. The images show a radial gap extending to ∼0.″4 (∼140 au at a distance of 340 pc) that is also evident in the spectral energy distribution. The large gap is a possible signpost of multiple high-mass giant planets at orbital distances (∼60–100 au) that are unusually massive and widely separated compared to those of planet populations previously inferred from protoplanetary disk substructures.

79 ASTRONOMY AND ASTROPHYSICS↗

Detection and Bulk Properties of the HR 8799 Planets with High-resolution Spectroscopy

Using the Keck Planet Imager and Characterizer, we obtained high-resolution (R ~ 35,000) K-band spectra of the four planets orbiting HR 8799. We clearly detected H{sub 2}O and CO in the atmospheres of HR 8799 c, d, and e, and tentatively detected a combination of CO and H{sub 2}O in b. These are the most challenging directly imaged exoplanets that have been observed at high spectral resolution to date when considering both their angular separations and flux ratios. We developed a forward-modeling framework that allows us to jointly fit the spectra of the planets and the diffracted starlight simultaneously in a likelihood-based approach and obtained posterior probabilities on their effective temperatures, surface gravities, radial velocities, and spins. We measured vsin (i) values of 10.1{sub -2.7}{sup +2.8} km s{sup -1} for HR 8799 d and 15.0{sub -2.6}{sup +2.3} km s{sup -1} for HR 8799 e, and placed an upper limit of <14 km s{sup -1} of HR 8799 c. Under two different assumptions of their obliquities, we found tentative evidence that rotation velocity is anticorrelated with companion mass, which could indicate that magnetic braking with a circumplanetary disk at early times is less efficient at spinning down lower-mass planets.

74 ATOMIC AND MOLECULAR PHYSICS↗