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At least 739 records · Page 41

buhito

buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.

Pimonova, Yulia↗

Learning from learning machines: improving the predictive power of energy-water-land nexus models with insights from complex measured and simulated data

Focal Area(s): Insights gleaned from complex data (observed and simulated) using AI; Predictive modeling through the use of AI techniques and AI-derived model components, including physics- and knowledge-informed models; Energy-water-land nexus and integrated energy systems – models of MultiSector dynamics. Science Challenge: Scientific communities are in need of tools for the computational integration of physics-based models, experimental data, and empirical/observational studies across a broad range of temporal and spatial scales to explore and meet EESSD grand challenges. We require AI algorithms for the discovery of process-drivers in the Earth-energy-human system and to link them with complex measured and simulated data. We aim to understand the energy-water-land nexus, particularly under extreme forcing scenarios and rare events, leveraging scale-aware AI process models, including probabilistic uncertainties, and benefiting from the emerging 5G-enabled landscape-scale sensing and edge computing capabilities. These models are needed to identify instabilities and tipping points that manifest extreme system behaviors with consequences for integrated energy systems and the environment. This work requires fundamental advances in uncertainty quantification, in particular, to identify and model unlikely but catastrophic outliers. Specifically, we need models that are interpretable to domain scientists and, essentially, explainable to public and private stake holders.

54 ENVIRONMENTAL SCIENCES↗

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Deciphering Fingerprints of Stellar Nucleosynthesis Through Nuclear Reaction Rate Measurements and Isotopic Analyses of Stardust

Microscopic stardust grains, found in trace amounts in primitive meteorites, afford a unique opportunity to study stellar nucleosynthesis in the laboratory by measuring their heavy element isotopic compositions. Applying LLNL’s state-of-the art material characterization capabilities to these micrometer-sized grains yields large new datasets with unprecedented precision. However, the astrophysical models necessary to interpret the isotopic record require improved nuclear physics data to constrain stellar nucleosynthesis conditions. For example, the branch point in the s-process path at 95 Zr controls the relative amounts of heavier nuclides but is poorly understood. We conducted a coordinated effort across disciplines to combine a new determination of the neutron capture cross section of 95 Zr with the laboratory analysis of hundreds of stardust grains to yield a view into stellar interiors. We developed new methods to quantify multiple isotopic systems simultaneously (e.g., Zr, Ba, and W) in stardust grains and improved the determination of the neutron capture cross section of unstable 95 Zr via the surrogate reaction method. This interdisciplinary approach is allowing us to fill gaps in our understanding of the environments in which elements are produced while enhancing LLNL’s experimental and theoretical capabilities relevant to nuclear threat reduction missions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Ranking Biological Features in Soil-Based Microbial Multi-Omics Data with Integration Modeling

Distinguishing the most important features (e.g. proteins, metabolites, etc.) per group (e.g. control and treatment) is a critical challenge in feature-rich multi-omics experiments, especially in soil data. Traditional feature identification and ranking approaches, such as differential expression, are based on single omics and thus not directly translatable to multi-omics experiments. Here, 5 multi-omics integration models (DIABLO, JACA, MOFA, MultiMLP, and SLIDE) that were not explicitly built for soil data applications were tested using a soil-based multi-omics experiment. The data were obtained from an experimental setup of an autoclaved soil system inoculated with 8 bacteria and using chitin as the carbon source and including samples collected at 0- (control), 4-, 8-, and 12-weeks post-inoculation. The omics data included metaproteomics, 16S rRNA sequencing, and LC-MS/MS metabolomics (in positive and negative mode). Each multi-omics integration model was implemented, and top features were compared to differential univariate statistics per omic type, demonstrating that integration approaches cut the potential number of top features from 2957 identified by differential statistics to 13-224 (a 99.6% to 92.4% reduction). Interestingly, most top features across integration models were not shared; though, scaling and averaging ranks across models shared similar patterns. This work highlights the usefulness of multi-omics integration models in soil-based microbial studies and the power of using multiple integration models together to interpret results.

54 ENVIRONMENTAL SCIENCES↗

Radiation GRMHD Models of Accretion onto Stellar-mass Black Holes. I. Survey of Eddington Ratios

We summarize results from a survey of radiation-dominated black hole accretion flows across a wide range of mass accretion rates, as well as two values of black hole spin and initial magnetic field geometry. These models apply an algorithm targeting direct solutions to the radiation transport equation in full general relativity and have been enabled by access to modern exascale computing systems. Super-Eddington accretion flows form geometrically thick radiation-pressure-supported disks that drive powerful equatorial outflows. A narrow funnel-shaped photosphere in the inner region results in very low radiative efficiencies in this regime. The structure of near- and sub-Eddington accretion depends on whether there is net vertical magnetic flux at the midplane of the disk. With net flux, the disk forms a thin, dense layer at the midplane surrounded by a magnetically dominated corona, whereas without net flux, the disk remains magnetically dominated everywhere. Although none of our models achieve the magnetically arrested disk regime, those with net vertical flux and a rapidly spinning black hole still produce powerful relativistic jets. Our calculations adopt simple opacity models (with scalings appropriate to stellar-mass black hole accretion). We discuss the application of our results to observations of X-ray binaries and ultraluminous X-ray sources such as Cyg X-3 and SS433. We also speculate on the application of our super-Eddington models to the interpretation of little red dots recently discovered by JWST.

79 ASTRONOMY AND ASTROPHYSICS↗

Edge ML for CAN bus intrusion detection in AVs

Autonomous Vehicles (AVs) are revolutionizing transportation, but their reliance on interconnected cyber-physical systems exposes them to unprecedented cybersecurity risks. This study addresses the critical challenge of detecting real-time cyber intrusions in self-driving vehicles by leveraging a dataset from the Udacity self-driving car project. We simulate four high-impact attack vectors, Denial of Service (DoS), spoofing, replay, and fuzzy attacks, by injecting noise into spatial features (e.g., bounding box coordinates) to replicate adversarial scenarios. We develop and evaluate two lightweight neural network architectures (NN-1 and NN-2) alongside a logistic regression baseline (LG-1) for intrusion detection. The models achieve exceptional performance, with NN-2 attaining an AUC score of 93.15% and 93.15% accuracy, demonstrating their suitability for edge deployment in AV environments. Through explainable AI techniques, we uncover unique forensic fingerprints of each attack type, such as spatial corruption in fuzzy attacks and temporal anomalies in replay attacks, offering actionable insights for feature engineering and proactive defense. Visual analytics, including confusion matrices, ROC curves, and feature importance plots, validate the models' robustness and interpretability. This research sets a new benchmark for AV cybersecurity, delivering a scalable, field-ready toolkit for Original Equipment Manufacturers (OEMs) and policymakers. By aligning intrusion fingerprints with SAE J3061 automotive security standards, we provide a pathway for integrating machine learning into safety-critical AV systems. Our findings underscore the urgent need for security-by-design AI, ensuring that AVs not only drive autonomously but also defend autonomously. This work bridges the gap between theoretical cybersecurity and life-preserving engineering, offering a leap toward safer, more secure autonomous transportation.

97 MATHEMATICS AND COMPUTING↗

Thermophysics of the planet Mercury

Mercury microwave and IR observations interpreted for thermophysical models for planetary subsurface, discussing rotation and heating

Morrison, D.↗

Atmospheric correction of remotely sensed spacecraft data

A model designed to predict the transfer of radiative energy in the earth atmosphere is described. The computational procedure accounts for absorption and scattering processes at visible and near infrared wavelengths. This paper reports on application of the atmospheric model to the interpretation of ERTS Multispectral Scanner (MSS) data. Spectrally-averaged values of the radiance emerging at the top of the atmosphere are computed for each MSS Band. It is concluded that ERTS MSS Band 4 data are to a high degree influenced by the water vapor content of the atmospere. Knowledge of the meteorological conditions at the time of an ERTS overpass appears to be necessary in order to achieve maximum classification accuracy. The impact of this conclusion upon the accuracy of identification of surface features will next be determined.

Jurica, G. M.↗

CARETS: A prototype regional environmental information system. Volume 7: Land use information and air quality planning

The pilot national land use information system developed by the U.S. Geological Survey in the Central Atlantic Regional Ecological Test Site project has provided an improved technique for estimating emissions, diffusion, and impact patterns of sulfur dioxide (S0 2 ) and particulate matter. Implementation of plans to control air quality requires land use information, which, until this time, has been inadequate. The pilot system, however, provided data for updating information on the sources of point and area emissions of S0 2 and particulate matter affecting the Norfolk--Portsmouth area of Virginia for the 1971-72 winter (Dec.-Jan.-Feb.) and the annual 1972 period, and for a future annual period--1985. This emission information is used as input to the Air Quality Display Model of the Environmental Protection Agency to obtain diffusion and impact patterns for the three periods previously mentioned. The results are: (1) During the 1971-72 winter, estimated SO 2 amounts over an area with a SW-NE-axis in the central section of Norfolk exceeded both primary and secondary levels; (2) future annual levels of SO 2 , estimated by anticipated residential development and point-source changes, are not expected to cause serious deterioration of the region's present air quality; and (3) for the 1971-72 winter and annual 1972 period the diffusion results showed that both primary and secondary standards for particulate matter are regularly exceeded in central Norfolk and Portsmouth. In additions on the bas is of current control programs, the 1985 levels of particulate matter are expected to exceed the presently established secondary air quality standards throughout central Norfolk and Portsmouth and in certain areas of Virginia Beach. The land use information can be used to estimate emissions for inputs to diffusion models and to interpret the implications of diffusion patterns for: (1) Implementing various control strategies (2) selecting sites of air sampling stations, and (3) predicting the effects that proposed changes in land use might have on emission patterns and air quality.

Remote sensing↗

Oxygen isotopes in the Martian atmosphere - Implications for the evolution of volatiles

Nonthermal escape of oxygen by recombination of exospheric O2(+) combined with diffusive separation of gases at lower altitude provides a mechanism through which the Martian atmosphere may be enriched in O-18 relative to O-16. Measurement of the abundance of O-18 relative to O-16 together with a determination of the turbopause may be used to develop important constraints on the history of Martian volatiles. Models for the interpretation of these data are developed and discussed in light of present information.

Mcelroy, M. B.↗

A review of the theory of trailing edge noise

Literature on the theory of the generation of sound by the interaction of low Mach number turbulent flow with the edge of a semi-infinite rigid plate is critically reviewed. Three different approaches to the subject are identified, consisting of theories based on (1) Lighthill's acoustic analogy; (2) the solution of special, linearized hydroacoustic problems; and (3) ad hoc aerodynamic source models. When appropriately interpreted, all relevant theories produce essentially identical predictions in the limit of very small Mach numbers. None of the theories discusses the implications of the Kutta condition, however, nor of the effect of forward flight and source motion relative to the trailing edge. An outline of a redevelopment of the theory is included to give a unified view of the problem, exhibit the significance of the various approximations, and incorporate the effect of mean motion and of the Kutta condition.

Howe, M. S.↗

Interplanetary discontinuities - Temporal variations and the radial gradient from 1 to 8.5 AU

A dependence of the rate of occurrence and properties of interplanetary discontinuities on radial distance were investigated using Pioneer 10 and 11 vector helium magnetometer observations. Spatial and temporal variations were separated and discontinuities identified, noting that their rate of occurrence undergoes large variations well outside the deviations expected from statistical fluctuations. Temporal changes in the occurrence rate averaged over Bartels solar rotations were well correlated at Pioneer 10 and 11, separated by a distance of 2 AU, and time variations consisted of slow modulation of the occurrence rate due to changing solar conditions. The correlation over widely separated distances is interpreted by a model in which the discontinuities originate inside 1 AU and are convected outward by the solar wind. Evidence of spatial dependence was provided by a decrease in the rates of occurrence at both spacecraft with increasing radial distance, and it was shown that the Pioneer 11 rate, nearer the sun, exceeded the Pioneer 10 rate at greater distances.

Tsurutani, B. T.↗

I/asterisk/ /6s 4P/ collisional quenching - Application to the IF 491-nm laser

Measurements of the rate constants for quenching of the excited I (6s 4P) states by Ar, Xe, CF39I, UF6, and NF3 are described. Each rate constant is determined by recording the exponential time decay of the excited IF or excited I2 (342 nm) fluorescence in the afterglow of the e-beam-excited plasmas containing Ar, CF3I, NF3, and the desired quenching gas. In addition, further experimental evidence in support of neutral channel formation of excited IF in e-beam-pumped Ar/CF3I/NF3 mixtures is presented. Details of the experimental apparatus and gas handling procedures are given, and the kinetics model developed to interpret the experimental data is described.

Hutchison, S. B.↗

An investigation of the kinetics for hydrogen chemisorption on iron metal surfaces

A quasi-isothermal approach was used to study the kinetics of hydrogen and hydrogen sulfide chemisorption onto iron film in an effort to understand the environmental degradation of steels. The coverage of chemisorbed hydrogen or chemisorbed sulfur was observed as a function of time for fixed conditions of substrate temperature. Auger electron spectroscopy was used to observe the sulfur and chemisorption-induced resistance change was employed to monitor hydrogen coverage. To compare the results obtained from studying the kinetics by two different techniques, the kinetics of oxygen chemisorption onto iron films was also studied. A reaction model utilized to interpret the H2/Fe2 chemisorption kinetics was applied to data from an earlier study on the desorption kinetics for H2 chemisorbed onto nicket films in the vicinity of the Curie temperature of the film. This analysis permitted a separation of the gross desorption process into individual components so that the influence of the magnetic phase transition on the rate constants could be determined.

Shanabarger, M. R.↗