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At least 667 records · Page 37

Indications of low dimensionality in magnetospheric dynamics

Using three separate but related approaches, the question of whether the dynamic response of the magnetosphere to the solar wind input may be described by a low-order system of equations is examined. First, it is determined that the dimension of the subset (the attractor) in the high-dimensional magnetospheric phase space associated with the westward auroral electrojet (AL) index for some of the data sets compiled by Bargatze et al. (1985) is 4.0 + or - 0.2, seemingly independent of activity level. Second, direct modeling of the magnetosphere, considering the bulk properties of the tail plasma, leads to a system of equations that is similar to those previously reported as a dripping faucet model; here, the focus is specifically on the prediction of a natural frequency in this model. Finally, a peak is identified with the predicted frequency in power spectra of AL computed for intervals with both low and high activity. Peaks at other frequencies also appear in the spectra, and such resonances would be expected for a chaotic nonlinear oscillator. Combining these approaches it is concluded that at least some aspects of magnetospheric dynamics may be meaningfully modeled by low-dimensional sets of equations.

Roberts, D. A.↗

High repetition rate mapping of the interaction between a laser plasma and magnetized background plasma via laser induced fluorescence

In this work, the laminar coupling of energy between a laser-produced plasma and a background magnetized plasma was investigated via planar laser induced fluorescence diagnostic and magnetic flux probes. Experiments performed on the Large Plasma Device at the University of California, Los Angeles, mapped out the two-dimensional spatiotemporal evolution of the laser-plasma (debris) ion velocity distribution function (VDF) to assess debris-background coupling in a sub-Alfvénic regime. The acquisition of these data necessitates high repetition rate (1 Hz) as each dataset is the accumulation of thousands of laser shots, which would not be feasible in single-shot experiments. Fully kinetic, three-dimensional particle-in-cell simulations are compared to the measured VDFs to provide a framework in which we can understand the coupling of a sub-Alfvénic plasma flow through a preformed, magnetized plasma. The simulations display the same departure from the expected gyromotion of the debris plasma as observed in the experimental data, and in conjunction with the measured magnetic field traces, have led to the direct observation of the collisionless coupling via laminar fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Exploring Ion Mobility Mass Spectrometry Data File Conversions to Leverage Existing Tools and Enable New Workflows

Ion mobility (IM) is often combined with LC-MS experiments to provide an additional dimension of separation for complex sample analysis. While highly complex samples are better characterized by the full dimensionality of LC-IM-MS experiments to uncover new information, downstream data analysis workflows are often not equipped to properly mine the additional IM dimension. For many samples the data acquisition benefits of including IM separations are all that is necessary to uncover sample information and the full dimensionality of the data is not required for data analysis. Post-acquisition reduction and adaptation of the dimensions of LC-IM-MS and IM-MS experiments into an LC-MS format opens the possibility to use a plethora of existing software tools. In this work, we developed data file conversion tools to reduce the complexity of IM data analysis. Three data file transformations are introduced in the PNNL PreProcessor software: 1) mapping the IM axis to the LC axis for IM-MS data, 2) converting the drift time vs. m/z space to CCS/z vs m/z space, and 3) transforming All Ions IM/MS mobility aligned fragmentation data to a standard LC-MS DDA data file format. Finally, these new data file conversions are demonstrated with corresponding lipidomics and proteomics workflows that leverage existing LC-MS data analysis software to highlight the benefits of the data transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Summary of advanced methods for predicting high speed propeller performance

Three advanced analyses for predicting aircraft propeller performance at high subsonic speeds are described. Two of these analyses use a lifting line representation for the propeller blades and vortex filaments for the blade wakes but differ in the details of the solution. The third analysis is a finite difference solution of the unsteady, three dimensional Euler equations for the flow between adjacent blades. Analysis results are compared to data for a high speed propeller having eight swept blades integrally designed with the spinner and nacelle.

Bober, L. A.↗

PRIMED for the Future: Purposing Raw Intake for Machine Learning-Enabled Detection (Final Report)

The COVID-19 pandemic demonstrated how a novel, elusive, and diffuse biological threat can engender uncertainty and misinformation, and it underscored the need for flexible analytical modalities agnostic to the identity of biological material. Yet even before the pandemic, recognition of the limitations of the current, list-based approach, which focuses on known pathogens and biotoxins, and of the importance of agent-agnostic biodetection was growing within the biosecurity community. In a 2018 report on “Biodefense in the Age of Synthetic Biology,” for example, the National Academy of Sciences stated that “an overreliance on the Select Agent List is a systematic weakness affecting many aspects of the United States’ current biodefense mitigation capability”. More recently, a group of biodefense researchers proposed the identification and adoption of “bioagent-agnostic signatures (BASs)” as a way of detecting and characterizing not only existing agents but also novel ones, an approach they believe will “enable a more flexible and resilient biodefense posture”. Indeed, the future of biodetection requires us to begin developing novel analytics that can identify anomalies and/or characteristics that indicate a potential threat, whether known or unknown, without looking for a specific signature that has been identified previously. To assess potential threats more rapidly, it is critical to develop agnostic artificial intelligence (AI)/machine learning (ML) systems that can be employed for real-time assessment of the nature and source of a perturbation. Such systems should be multi scale and multi-dimensional, integrating sensor data from a range of biological, chemical, and physical application spaces. Emerging deep learning (DL) models demonstrate exceptional promise for identification of discriminatory features within multi-dimensional datasets. DL models have the capacity to recognize and encode highly complex patterns in a wide range of input data modalities, including images, text, and biological/chemical/physical spectra. As such, they can execute a wide range of assessments and determinations that have traditionally required a human operator. The promise of advances in DL is apparent in the realm of human health and medicine. DL models have been validated for evaluating a variety of clinical threats to human health in a range of contexts, including infection and cancer, and they demonstrated improved performance in predicting stroke relative to human neurologists in some categories of data. Continuously evolving advances in AI/ML are expected to support more efficient evaluation of raw sequence, spectroscopy, and spectrometry data. For instance, recent advances and deployment of large language models (LLM) such as Generative Pre training Transformer (GPT) and Bidirectional Encoder Representations from Transformers (BERT) have already motivated application of these models for biological function prediction. As frameworks such as LLMs become larger and more complex in their representations, their capacity to serve as pre-trained models that can be fine-tuned for biological/biodetection purposes will similarly be amplified. While existing and emerging AI/ML have found broad applicability and use cases in the clinical sciences, development for environmental evaluation and biodetection has been limited. Functionalizing such capabilities for this purpose requires an understanding of the existing technical landscape and how the respective tools and algorithms are currently being employed. This landscape awareness then allows an assessment of the current practical capabilities of existing models and the anticipated requirements and development efforts that will be needed to adapt available algorithms for biodetection applications relevant to DHS. Leveraging expertise in biodetection, ML, and operational biodetection, the effort described in this report is comprised of a systematic landscape assessment (Subtask 2.1), comparative evaluation (Subtask 2.2), and formulation of a value proposition (Subtask 2.3) for the prospect of ML-enabled, agnostic biodetection from raw, or minimally-processed, datasets.

59 BASIC BIOLOGICAL SCIENCES↗

PRIMED for the Future: Purposing Raw Intake for Machine Learning-Enabled Detection

The COVID-19 pandemic demonstrated how a novel, elusive, and diffuse biological threat can engender uncertainty and misinformation, and it underscored the need for flexible analytical modalities agnostic to the identity of biological material. Yet even before the pandemic recognition of the limitations of the current, list-based approach, which focuses on known pathogens and biotoxins, and of the importance of agent-agnostic biodetection, was growing within the biosecurity community. In a 2018 report on “Biodefense in the Age of Synthetic Biology,” for example, the National Academy of Sciences stated that “an overreliance on the Select Agent List is a systematic weakness affecting many aspects of the United States’ current biodefense mitigation capability." More recently, a group of biodefense researchers proposed the identification and adoption of “bioagent-agnostic signatures (BASs)” as a way of detecting and characterizing not only existing agents but also novel ones, an approach they believe will “enable a more flexible and resilient biodefense posture." Indeed, the future of biodetection requires us to begin developing novel analytics that can identify anomalies and/or characteristics that indicate a potential threat, whether known or unknown, without looking for a specific signature that has been identified previously. To assess potential threats more rapidly, it is critical to develop agnostic artificial intelligence (AI)/machine learning (ML) systems that can be employed for real-time assessment of the nature and source of a perturbation. Such systems should be multiscale and multi-dimensional, integrating sensor data from a range of biological, chemical, and physical application spaces. Emerging deep learning (DL) models demonstrate exceptional promise for identification of discriminatory features within multi-dimensional datasets. DL models have the capacity to recognize and encode highly complex patterns in a wide range of input data modalities, including images, text, and biological/chemical/physical spectra. As such, they can execute a wide range of assessments and determinations that have traditionally required a human operator.

59 BASIC BIOLOGICAL SCIENCES↗

Overview of New Tools to Perform Safety Analysis: BWR Station Black Out Test Case

Dynamic Probabilistic Risk Assessment (DPRA) methodologies couple system simulator codes (e.g., RELAP, MELCOR) with simulation controller codes (e.g., RAVEN, ADAPT). While system simulator codes accurately model system dynamics deterministically, simulation controller codes introduce both deterministic (e.g., system control logic, operating procedures) and stochastic (e.g., component failures, parameter uncertainties) elements into the simulation. Typically, a DPRA is performed by: 1) sampling values of a set of parameters from the uncertainty space of interest (using the simulation controller codes), and 2) simulating the system behavior for that specific set of parameter values (using the system simulator codes). For complex systems, one of the major challenges in using DPRA methodologies is to analyze the large amount of information (i.e., large number of scenarios ) generated, where clustering techniques are typically employed to allow users to better organize and interpret the data. In this paper, we focus on the analysis of a nuclear simulation dataset that is part of the Risk Informed Safety Margin Characterization (RISMC) Boiling Water Reactor (BWR) station blackout (SBO) case study. We apply a software tool that provides the domain experts with an interactive analysis and visualization environment for understanding the structures of such high-dimensional nuclear simulation datasets. Our tool encodes traditional and topology-based clustering techniques, where the latter partitions the data points into clusters based on their uniform gradient flow behavior. We demonstrate through our case study that both types of clustering techniques complement each other in bringing enhanced structural understanding of the data.

97 MATHEMATICS AND COMPUTING↗

Summary of advanced methods for predicting high speed propeller performance

Three advanced analyses for predicting aircraft propeller performance at high subsonic speeds are described. Two of these analyses use a lifting line representation for the propeller blades and vortex filaments for the blade wakes but differ in the details of the solution. The third analysis is a finite difference solution of the unsteady, three-dimensional Euler equations for the flow between adjacent blades. Analysis results are compared to data for a high speed propeller having 8 swept blades integrally designed with the spinner and nacelle. These analyses provide tools for the propeller designer ranging from a short running program for initial design studies to a very long running program for checking final configurations.

Bober, L. J.↗

High End Computer Network Testbedding at NASA Goddard Space Flight Center

The Earth & Space Data Computing (ESDC) Division, at the Goddard Space Flight Center, is involved in development and demonstrating various high end computer networking capabilities. The ESDC has several high end super computers. These are used to run: (1) computer simulation of the climate systems; (2) to support the Earth and Space Sciences (ESS) project; (3) to support the Grand Challenge (GC) Science, which is aimed at understanding the turbulent convection and dynamos in stars. GC research occurs in many sites throughout the country, and this research is enabled by, in part, the multiple high performance network interconnections. The application drivers for High End Computer Networking use distributed supercomputing to support virtual reality applications, such as TerraVision, (i.e., three dimensional browser of remotely accessed data), and Cave Automatic Virtual Environments (CAVE). Workstations can access and display data from multiple CAVE's with video servers, which allows for group/project collaborations using a combination of video, data, voice and shared white boarding. The ESDC is also developing and demonstrating the high degree of interoperability between satellite and terrestrial-based networks. To this end, the ESDC is conducting research and evaluations of new computer networking protocols and related technologies which improve the interoperability of satellite and terrestrial networks. The ESDC is also involved in the Security Proof of Concept Keystone (SPOCK) program sponsored by National Security Agency (NSA). The SPOCK activity provides a forum for government users and security technology providers to share information on security requirements, emerging technologies and new product developments. Also, the ESDC is involved in the Trans-Pacific Digital Library Experiment, which aims to demonstrate and evaluate the use of high performance satellite communications and advanced data communications protocols to enable interactive digital library data access between the U. S. Library of Congress, the National Library of Japan and other digital library sites at 155 MegaBytes Per Second. The ESDC participation in this program is the Trans-Pacific access to GLOBE visualizations in real time. ESDC is participating in the Department of Defense's ATDNet with Multiwavelength Optical Network (MONET) a fully switched Wavelength Division Networking testbed. This presentation is in viewgraph format.

Gary, James Patrick↗

Framework of compressive sensing and data compression for 4D-STEM

Four-dimensional Scanning Transmission Electron Microscopy (4D-STEM) is a powerful technique for high-resolution and high-precision materials characterization at multiple length scales, including the characterization of beam-sensitive materials. However, the field of view of 4D-STEM is relatively small, which in absence of live processing is limited by the data size required for storage. Furthermore, the rectilinear scan approach currently employed in 4D-STEM places a resolution- and signal-dependent dose limit for the study of beam sensitive materials. Improving 4D-STEM data and dose efficiency, by keeping the data size manageable while limiting the amount of electron dose, is thus critical for broader applications. Here we introduce a general method for reconstructing 4D-STEM data with subsampling in both real and reciprocal spaces at high fidelity. The approach is first tested on the subsampled datasets created from a full 4D-STEM dataset, and then demonstrated experimentally using random scan in real-space. The same reconstruction algorithm can also be used for compression of 4D-STEM datasets, leading to a large reduction (100 times or more) in data size, while retaining the fine features of 4D-STEM imaging, for crystalline samples.

4D-STEM↗

Quasi-two-dimensional spin and phonon excitations in La 1.965 Ba 0.035 CuO 4

Here, we present time-of-fight inelastic neutron scattering measurements of La 1.965 Ba 0.035 CuO 4 (LBCO), a lightly doped member of the high temperature superconducting La-based cuprate family. By using time-of-flight neutron instrumentation coupled with single crystal sample rotation we obtain a four-dimensional data set (three Q and one energy) that is both comprehensive and spans a large region of reciprocal space. Our measurements identify rich structure in the energy dependence of the highly dispersive spin excitations, which are centered at equivalent (1/2, 1/2, L) wave-vectors. These structures correlate strongly with several crossings of the spin excitations with the lightly dispersive phonons found in this system. These eects are signicant and account for on the order of 25% of the total inelastic scattering for energies between ≈5 and 40meV at low |Q|. Interestingly, this scattering also presents little or no L-dependence. As the phonons and dispersive spin excitations centred at equivalent (1/2, 1/2, L) wave-vectors are common to all members of La-based 214 copper oxides, we conclude such strong quasi-two dimensional scattering enhancements are likely to occur in all such 214 families of materials, including those concentrations corresponding to superconducting ground states. Such a phenomenon appears to be a fundamental characteristic of these materials and is potentially related to superconducting pairing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for $t\bar{t}H/A \rightarrow t\bar{t}t\bar{t}$ production in proton–proton collisions at $\sqrt{s}=13$ $\text {TeV}$ with the ATLAS detector

A search is presented for a heavy scalar (H) or pseudo-scalar (A) predicted by the two-Higgs-doublet models, where the H/A is produced in association with a top-quark pair $(t\bar{t}H/A),$ and with the H/A decaying into a $t\bar{t}$ pair. The full LHC Run 2 proton–proton collision data collected by the ATLAS experiment is used, corresponding to an integrated luminosity of $139~\text {fb}^{-1}.$ Events are selected requiring exactly one or two opposite-charge electrons or muons. Data-driven corrections are applied to improve the modelling of the $t\bar{t}$ +jets background in the regime with high jet and b-jet multiplicities. These include a novel multi-dimensional kinematic reweighting based on a neural network trained using data and simulations. An H/A-mass parameterised graph neural network is trained to optimise the signal-to-background discrimination. In combination with the previous search performed by the ATLAS Collaboration in the multilepton final state, the observed upper limits on the $t\bar{t}H/A \rightarrow t\bar{t}t\bar{t}$ production cross-section at 95% confidence level range between 14 fb and 5.0 fb for an H/A with mass between 400 GeV and 1000 GeV , respectively. Assuming that both the H and A contribute to the $t\bar{t}t\bar{t}$ cross-section, tan β values below 1.7 or 0.7 are excluded for a mass of 400 GeV or 1000 GeV , respectively. The results are also used to constrain a model predicting the pair production of a colour-octet scalar, with the scalar decaying into a $t\bar{t}$ pair.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Emerging technology for transonic wind-tunnel-wall interference assessment and corrections

Several nonlinear transonic codes and a panel method code for wind tunnel/wall interference assessment and correction (WIAC) studies are reviewed. Contrasts between two- and three-dimensional transonic testing factors which affect WIAC procedures are illustrated with airfoil data from the NASA/Langley 0.3-meter transonic cyrogenic tunnel and Pathfinder I data. Also, three-dimensional transonic WIAC results for Mach number and angle-of-attack corrections to data from a relatively large 20 deg swept semispan wing in the solid wall NASA/Ames high Reynolds number Channel I are verified by three-dimensional thin-layer Navier-Stokes free-air solutions.

Newman, P. A.↗

Nearest-Neighbor Machine Learning Feature Selection for Interpretation of Microbial Molecular Signatures from Isotope Ratio Mass Spectrometry Data

Mass spectrometry (MS) promises to be a powerful tool for potential biosignature detection during astrobiological missions on ocean worlds in our solar system. Accurate and generalizable machine learning methods could enhance science return on investment by predicting seawater chemistry and classifying isotopic biosignatures, either as a signature consistent with microbial life (biotic) or as a novelty (unclassified/unique). However, machine learning models are likely to be complex and involve interactions between MS features, making biosignatures difficult to interpret. Feature selection methods provide biological and chemical context that help interpret the mechanisms of machine learning models, but these methods also need the ability to detect complex interactions. Previously, we developed a machine learning feature selection algorithm called nearest-neighbor projected distance regression (NPDR) that has the ability to identify important model features that involve complex interactions and automatically reduce correlation and the dimensionality in a high-dimensional variable space. The standard distance metrics used in NPDR – Manhattan and Euclidean – assume the multivariate data are isotropic, which is often violated in real data due to differences in the covariance between variables. Thus, we extend NPDR to include a random forest distance, and other anisotropic distance metrics, for computing nearest neighbors. We also augment the isotope-ratio MS data with time-series features from the raw MS signal to improve biotic classification. We test NPDR on our novel experimental ocean world seawater analog MS data. We measure isotope fractionations of volatile CO 2 that could be measured in exospheres or plumes. Samples include baseline abiotic conditions using a range of possible seawater chemistry consistent with Europa and Enceladus, and biotic samples that include microbes in these seawaters. We use penalized NPDR with random forest proximity to identify interpretable microbial molecular signatures. We compare features with random forest importance, and we train a classifier that discriminates between biotic and abiotic samples with high accuracy. These ML-trained ocean-world analog MS data could be used to assist in identifying biosignatures during future missions.

geochemistry↗

Enabling probabilistic learning on manifolds through double diffusion maps

Here, we present a generative learning framework for probabilistic sampling that extends Probabilistic Learning on Manifolds (PLoM), which is designed to generate statistically consistent realizations of a random vector in a finite-dimensional Euclidean space, informed by a (representative) set of observations. In its original form, PLoM constructs a reduced-order probabilistic model by combining three main components: (a) kernel density estimation to approximate the underlying probability measure, (b) Diffusion Maps to characterize the manifold of the data, and (c) a reduced-order Itô Stochastic Differential Equation (ISDE) to sample from the learned distribution. However, its sampling dynamics are posed in the ambient space and the retained number of reduced coordinates is chosen by projection-reconstruction error. In practice, this often (i) requires more coordinates than the data’s intrinsic dimension to achieve stable sampling and (ii) lacks a smooth, basis-independent lifting back to the data domain; moreover, standard Diffusion Maps emphasize harmonic eigenfunctions and can miss non-harmonic latent structure. We address these limitations by decoupling geometry learning from sampling: a first Diffusion Maps pass identifies non-harmonic coordinates on which we formulate a full-order ISDE directly in the latent space, while Double Diffusion Maps captures multiscale geometric features and Geometric Harmonics (GH) learns a smooth lifting map to the ambient variables that is independent of the particular diffusion basis. This hybrid design preserves the system’s dynamical richness with a compact geometric representation and enables principled out-of-sample inference. The effectiveness and robustness of the proposed method are illustrated through two numerical studies: one based on data generated from two-dimensional Hermite polynomial functions and another based on high-fidelity simulations of a detonation wave in a reactive flow.

Double diffusion maps↗

Latent-space time evolution of non-intrusive reduced-order models using Gaussian process emulation

Non-intrusive reduced-order models (ROMs) have recently generated considerable interest for constructing computationally efficient counterparts of nonlinear dynamical systems emerging from various domain sciences. They provide a low-dimensional emulation framework for systems that may be intrinsically high-dimensional. This is accomplished by utilizing a construction algorithm that is purely data-driven. It is no surprise, therefore, that the algorithmic advances of machine learning have led to non-intrusive ROMs with greater accuracy and computational gains. However, in bypassing the utilization of an equation-based evolution, it is often seen that the interpretability of the ROM framework suffers. This becomes more problematic when black-box deep learning methods are used which are notorious for lacking robustness outside the physical regime of the observed data. In this article, we propose the use of a novel latent-space interpolation algorithm based on Gaussian process regression. Notably, this reduced-order evolution of the system is parameterized by control parameters to allow for interpolation in space. The use of this procedure also allows for a continuous interpretation of time which allows for temporal interpolation. The latter aspect provides information, with quantified uncertainty, about full-state evolution at a finer resolution than that utilized for training the ROMs. This research assesses the viability of this algorithm for an advection-dominated system given by the inviscid shallow water equations.

97 MATHEMATICS AND COMPUTING↗

Merging single-shot XFEL diffraction data from inorganic nanoparticles: a new approach to size and orientation determination

X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherent diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.

36 MATERIALS SCIENCE↗

Topological kinetic crossover in a nanomagnet array

Ergodic kinetics, which are critical to equilibrium thermodynamics, can be constrained by a system’s topology. Here, we studied a model nanomagnetic array in which such constraints visibly affect the behavior of the magnetic moments. In this system, magnetic excitations connect into thermally active one-dimensional strings whose motion can be imaged in real time. At high temperatures, our data showed the merging, breaking, and reconnecting of strings, resulting in the system transitioning between topologically distinct configurations. Below a crossover temperature, the string motion is dominated by simple changes in length and shape. In this low-temperature regime, the system is energetically stable because of its inability to explore all possible topological configurations. This kinetic crossover suggests a generalizable conception of topologically broken ergodicity and limited equilibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗