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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗
DOE OSTI2016

Data and programs in support of network analysis of genes and their association with diseases

The network-based approaches that were employed in order to depict the relationships between human genetic diseases and their associated genes are described. Towards this direction, monopartite disease-disease and gene-gene networks were constructed from bipartite gene-disease association networks. The latter were created by collecting and integrating data from three diverse resources, each one with different content, covering from rare monogenic disorders to common complex diseases. Moreover, topological and clustering graph analyses were performed. The methodology and the programs presented in this article are related to the research article entitled “Network analysis of genes and their association with diseases”.

Disease-disease networks↗
DOE OSTI2015

Use and Impact of Covariance Data in the Japanese Latest Adjusted Library ADJ2010 Based on JENDL-4.0

The current status of covariance applications to fast reactor analysis and design in Japan is summarized. In Japan, the covariance data are mainly used for three purposes: (1) to quantify the uncertainty of nuclear core parameters, (2) to identify important nuclides, reactions and energy ranges which are dominant to the uncertainty of core parameters, and (3) to improve the accuracy of core design values by adopting the integral data such as the critical experiments and the power reactor operation data. For the last purpose, the cross section adjustment based on the Bayesian theorem is used. After the release of JENDL-4.0, a development project of the new adjusted group-constant set ADJ2010 was started in 2010 and completed in 2013. In the present paper, the final results of ADJ2010 are briefly summarized. In addition, the adjustment results of ADJ2010 are discussed from the viewpoint of use and impact of nuclear data covariances, focusing on {sup 239}Pu capture cross section alterations. For this purpose three kind of indices, called “degree of mobility,” “adjustment motive force,” and “adjustment potential,” are proposed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

The FaceBase Consortium: A comprehensive resource for craniofacial researchers

The FaceBase Consortium, funded by the National Institute of Dental and Craniofacial Research, National Institutes of Health, is designed to accelerate understanding of craniofacial developmental biology by generating comprehensive data resources to empower the research community, exploring high-throughput technology, fostering new scientific collaborations among researchers and human/computer interactions, facilitating hypothesis-driven research, and translating science into improved health care to benefit patients. The resources generated by the FaceBase projects include a number of dynamic imaging modalities, genome-wide association studies, software tools for analyzing human facial abnormalities, detailed phenotyping, anatomical and molecular atlases, global and specific gene expression patterns, and transcriptional profiling over the course of embryonic and postnatal development in animal models and humans. The integrated data visualization tools, faceted search infrastructure, and curation provided by the FaceBase Hub offer flexible and intuitive ways to interact with these multidisciplinary data. In parallel, the datasets also offer unique opportunities for new collaborations and training for researchers coming into the field of craniofacial studies. Here we highlight the focus of each spoke project and the integration of datasets contributed by the spokes to facilitate craniofacial research.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Quantifying Groundwater Response and Uncertainty in Beaver‐Influenced Mountainous Floodplains Using Machine Learning‐Based Model Calibration

Abstract Beavers ( Castor canadensis ) alter river corridor hydrology by creating ponds and inundating floodplains, and thereby improving surface water storage. However, the impact of inundation on groundwater, particularly in mountainous alluvial floodplains with permeable gravel/cobble layers overlain by a soil layer, remains uncertain. Numerical modeling across various floodplain structures considers topographic and sediment complexity and multidirectional flow, linking inundation to groundwater response. This study develops a model‐data integration workflow to address uncertainty in groundwater response to beaver‐induced inundations in a mountainous alluvial floodplain in the Upper Colorado River Basin. Uncertain factors include seasonal hydrologic dynamics, hydraulic conductivities, floodplain structures, and meteorological forcings. We employed an ensemble of groundwater models, based on geophysical and hydrologic data, with machine learning‐based calibration using a neural density estimator. This allowed us to quantify the vertical flux from the soil layer to the permeable gravel bed, the down‐valley underflow within the gravel bed, and their ratios. Results show a significant increase in the vertical flux relative to down‐valley underflow, from 2 during dry pond periods to 20 during wet periods, serving as an analogy for conditions without and with beaver ponds. The study highlights the influence of floodplain structure on groundwater storage, water balance, and water quality impacted by beaver ponds. A thick gravel bed layer, with a large down‐valley underflow, minimizes the effect of beaver‐induced inundation on water quality. We emphasize the need for field‐scale measurements of floodplain structure and improved characterization of evapotranspiration changes to reduce uncertainty in groundwater response. Plain Language Summary Beavers change the flow of water in river corridors by creating ponds, expanding wetlands, and flooding floodplains. This increases surface water area, promotes plant growth, and enhances biodiversity. However, the impact of this flooding on groundwater flow is not well understood, especially in mountainous areas with gravel layers where water moves easily beneath soil. In this study, we used numerical modeling to investigate how beaver ponds influence groundwater in a mountainous floodplain of the Upper Colorado River Basin. We adapted a machine learning method to validate our numerical models using multiple field data sets. Our findings show that beaver ponds significantly increase vertical water flow from the soil to the gravel during wet periods, compared to when the ponds are fully drained. The study also highlights the importance of floodplain structure in controlling both water flow in gravel layers along the river direction and vertical flow from the soil to the gravel with the presence of beavers. To reduce uncertainty in groundwater response, we emphasize the need for more field‐scale measurements of floodplain structure, hydraulic properties, and evapotranspiration changes. Key Points Floodplain structures and hydraulic conductivities are important for groundwater response with beaver ponds in mountainous floodplains Large down‐valley underflow in permeability‐stratified floodplains reduces beaver‐induced impacts on groundwater storage and water quality Machine learning‐based model calibration methods are effective for estimating posterior distributions of groundwater model parameters

Wang, Lijing↗
DOE OSTI2015

HIGH-ENERGY PROPERTIES OF THE ENIGMATIC Be STAR γ CASSIOPEIAE

We present the results of a broadband X-ray study of the enigmatic Be star Gamma Cassiopeiae (herein γ Cas) based on observations made with both the Suzaku and INTEGRAL observatories. γ Cas has long been recognized as the prototypical example of a small subclass of Be stars with moderately strong X-ray emission dominated by a hot thermal component in the 0.5-12 keV energy range (L {sub x} ≈ 10{sup 32}-10{sup 33} erg s{sup –1}). This places them at the high end of the known luminosity distribution for stellar emission, but several orders of magnitude below typical accretion-powered Be X-ray binaries. The INTEGRAL observations spanned an eight-year baseline and represent the deepest measurement to date at energies above ∼50 keV. We find that the INTEGRAL data are consistent within statistics to a constant intensity source above 20 keV, with emission extending up to ∼100 keV, and that searches for all of the previously reported periodicities of the system at lower energies led to null results. We further find that our combined Suzaku and INTEGRAL spectrum, which we suggest is the most accurate broadband X-ray measurement of γ Cas to date, is fitted extremely well with a thermal plasma emission model with a single absorption component. We found no compelling need for an additional non-thermal high-energy component. We discuss these results in the context of a currently favored models for γ Cas and its analogs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Fermi LAT search for dark matter in gamma-ray lines and the inclusive photon spectrum

Dark matter particle annihilation or decay can produce monochromatic gamma-ray lines and contribute to the diffuse gamma-ray background. Furthermore, we present the flux upper limits for gamma-ray spectral lines from 7 to 200 GeV and for the diffuse gamma-ray background from 4.8 GeV to 264 GeV obtained from two years of Fermi Large Area Telescope data integrated over most of the sky. Here, we give cross-section upper limits and decay lifetime lower limits for dark matter models that produce gamma-ray lines or contribute to the diffuse spectrum, including models proposed as explanations of the PAMELA and Fermi cosmic-ray data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2021

The Science Case for Spacecraft Exploration of the Uranian Satellites: Candidate Ocean Worlds in an Ice Giant System

The 27 satellites of Uranus are enigmatic, with dark surfaces coated by material that could be rich in organics. Voyager 2 imaged the southern hemispheres of Uranus’s five largest “classical” moons—Miranda, Ariel, Umbriel, Titania, and Oberon, as well as the largest ring moon, Puck—but their northern hemispheres were largely unobservable at the time of the flyby and were not imaged. Additionally, no spatially resolved data sets exist for the other 21 known moons, and their surface properties are essentially unknown. Because Voyager 2 was not equipped with a near-infrared mapping spectrometer, our knowledge of the Uranian moons’ surface compositions, and the processes that modify them, is limited to disk-integrated data sets collected by ground- and space-based telescopes. Nevertheless, images collected by the Imaging Science System on Voyager 2 and reflectance spectra collected by telescope facilities indicate that the five classical moons are candidate ocean worlds that might currently have, or had, liquid subsurface layers beneath their icy surfaces. To determine whether these moons are ocean worlds, and to investigate Uranus’s ring moons and irregular satellites, close-up observations and measurements made by instruments on board a Uranus orbiter are needed.

Richard J. Cartwright↗
DOE OSTI2024

ORBIT: Oak Ridge Base Foundation Model for Earth System Predictability

Earth system predictability is challenged by the complexity of environmental dynamics and the multitude of variables involved. Current AI foundation models, although advanced by leveraging large and heterogeneous data, are often constrained by their size and data integration, limiting their effectiveness in addressing the full range of Earth system prediction challenges. To overcome these limitations, we introduce the Oak Ridge Base Foundation Model for Earth System Predictability (ORBIT), an advanced vision transformer model that scales up to 113 billion parameters using a novel hybrid tensor-data orthogonal parallelism technique. As the largest model of its kind, ORBIT surpasses the current climate AI foundation model size by a thousandfold. Performance scaling tests conducted on the Frontier supercomputer have demonstrated that ORBIT achieves 684 petaFLOPS to 1.6 exaFLOPS sustained throughput, with scaling efficiency maintained at 41% to 85% across 49,152 AMD GPUs. These breakthroughs establish new advances in AI-driven climate modeling and demonstrate promise to significantly improve the Earth system predictability.

Wang, Xiao↗
DOE OSTI2015

Wind Integration National Dataset (WIND) Toolkit; NREL (National Renewable Energy Laboratory)

A webinar about the Wind Integration National Dataset (WIND) Toolkit was presented by Bri-Mathias Hodge and Caroline Draxl on July 14, 2015. It was hosted by the Southern Alliance for Clean Energy. The toolkit is a grid integration data set that contains meteorological and power data at a 5-minute resolution across the continental United States for 7 years and hourly power forecasts.

17 WIND ENERGY↗
NASA NTRS1991

Results from a GPS Shuttle Training Aircraft flight test

A series of Global Positioning System (GPS) flight tests were performed on a National Aeronautics and Space Administration's (NASA's) Shuttle Training Aircraft (STA). The objective of the tests was to evaluate the performance of GPS-based navigation during simulated Shuttle approach and landings for possible replacement of the current Shuttle landing navigation aid, the Microwave Scanning Beam Landing System (MSBLS). In particular, varying levels of sensor data integration would be evaluated to determine the minimum amount of integration required to meet the navigation accuracy requirements for a Shuttle landing. Four flight tests consisting of 8 to 9 simulation runs per flight test were performed at White Sands Space Harbor in April 1991. Three different GPS receivers were tested. The STA inertial navigation, tactical air navigation, and MSBLS sensor data were also recorded during each run. C-band radar aided laser trackers were utilized to provide the STA 'truth' trajectory.

Saunders, Penny E.↗
DOE OSTI2015

Wildlife Densities and Habitat Use Across Temporal and Spatial Scales on the Mid-Atlantic Outer Continental Shelf. Final Report to the Department of Energy EERE Wind & Water Power Technologies Office

The Mid-Atlantic Baseline Studies Project helped address environmental barriers to offshore wind energy development in the mid-Atlantic region by providing regulators, developers, and other stakeholders with comprehensive baseline ecological data and analyses. Project funders and collaborators from a range of academic institutions, non-governmental organizations, federal agencies, foundations, and private companies came together to study bird, sea turtle, and marine mammal distributions, densities, and movements on the mid-Atlantic Outer Continental Shelf between 2012 and 2014. Specific project activities and goals included the following: (1) Conduct standardized surveys to quantify bird, sea turtle, and marine mammal densities seasonally and annually throughout the study region and identify important habitat use or aggregation areas. (2) Develop statistical models to help understand the drivers of wildlife distribution and abundance patterns. (3) Use individual tracking data for several focal bird species to provide information on population connectivity and individual movements that is complementary to survey data. (4) Identify species that are likely to be exposed to offshore wind energy development activities in the mid-Atlantic study area. (5) Develop U.S.-based technological resources and assessment methods for future monitoring efforts, including a comparison of high resolution digital video aerial surveys to boat-based surveys. (6) Help meet data needs associated with National Environmental Policy Act (NEPA), Marine Mammal Protection Act, and Endangered Species Act requirements, by contributing several years of data and analysis towards future Environmental Impact Statements. This report consists of six parts: Project overview (executive summary and Chapters 1-2); Examining wildlife distributions and relative abundance from a digital video aerial survey platform (Chapters 3-6); Examining wildlife distributions and abundance using boat-based surveys (Chapters 7-12); Integrating data across survey platforms (Chapters 13-19); Individual movements and habitat use for focal bird species (Chapters 20-25); and Nocturnal avian migration monitoring (Chapters 26-27). Boat-based and digital video aerial surveys each had specific advantages and disadvantages, but were largely complementary (Chapters 1, 5, 13-14). Digital aerial surveys were particularly useful for covering offshore areas at broad scales, where general distributions of taxonomic groups were a priority; boat surveys could provide more detailed data on species identities and behaviors, but were more limited in geographic scope due to their slower survey pace. The mid-Atlantic study area was important for wintering and breeding taxa, and its location also made it a key migratory corridor. There was considerable variation in species composition and spatial patterns by season, largely driven by dynamic environmental conditions (Chapters 12, 15, and 20-22). Habitat gradients in nearshore waters, however, were reliable influences on productivity and patterns of species distributions and abundance. Areas within about 30-40 km of the coast offshore of the mouths of Chesapeake and Delaware Bays, as well as to the south of Delaware Bay along the coast, were consistent hotspots of abundance and species diversity, regardless of survey methodology or analytical approach (Chapters 2, 12, 17). Inter-annual variation was substantial, and the importance of certain environmental variables in predicting animal distributions indicates that these species may well respond to future environmental shifts brought about by anthropogenic effects and climatic change. This study is an important first step, however, towards understanding how bird, marine mammal, and sea turtle populations in the mid-Atlantic may be exposed to offshore wind energy development and other anthropogenic activities. The results of this study provide insight to help address environmental permitting requirements for current and future offshore development projects, and serve as a starting point for more site-specific studies, risk analyses, and evaluation of potential measures to avoid and minimize those risks.

17 WIND ENERGY↗
DOE OSTI2024

Blockchain-Enabled Secure Device-to-Device Communication in Software-Defined Networking

The Internet of Things (IoT) continues to increase the demand for seamless communication among IoT devices. The rapid growth of IoT devices has led to an exponential increase in device-to-device (D2D) communication within the Software-Defined Networking (SDN), though it enables a flexible archi-tecture for managing network resources. However, traditional security models face challenges (e.g., Security, privacy, and trust) in addressing the dynamic and decentralized nature of these communications. Despite of these challenges, this paper proposes a novel approach that leverages blockchain technology to enhance the security, privacy, and trustworthiness of D2D communication within an SDN environment. The proposed approach integrates blockchain nodes in sDN components to establish a decentralized ledger for transparent and verifiable records. Smart contracts enforce authentication rules to ensure that only authenticated devices can access the network and engage in transactions securely. It also automates the security policies to ensure temper resistance execution using the cryptographic mechanism for data integrity and authentic communication. The Implementation of the proposed algorithms validates the resilience of the proposed approach against cyberattacks. Overall, the proposed approach enables efficient and secure D2D communication for resilient SDN infrastructure in IoT ecosystems.

Das, Debashis↗
DOE OSTI2017

Nutrient Cycle Impacts on Forest Ecosystem Carbon Cycling: Improved Prediction of Climate Feedbacks from Coupled C–Nutrient Dynamics from Ecosystem to Regional Scales

One of the largest sources of uncertainty in the projected global mean temperature response to anthropogenic carbon (C) emissions is the role of the land surface in contributing to or mediating the rise in atmospheric CO2 [IPCC, 2007]. Development of ecosystem processes in global land surface models (LSMs) is far from complete, with major components such as the nitrogen (N) cycle only recently being implemented in some LSMs [Thornton et al., 2007; Sokolov et al., 2008; Xu-Ri and Prentice, 2008; Fisher et al., 2010]. Inclusion of the N cycle can reduce terrestrial C uptake by up to ~50 Pg C·y-1 globally [Figure 1: Fisher et al., 2010]. However, even these early representations of the N cycle in LSMs are missing critical plant–soil interactions that have been shown empirically to exert a major influence over ecosystem C fluxes. Here we propose to use a newly developed plant N model by PI Fisher as a theoretical and analytical framework for integrating novel field-based methods and long-term flux observations to quantify the impacts of belowground processes on fluxes of C, water and energy, from ecosystem to regional scales. Although the model (Fixation & Uptake of Nitrogen: FUN) is one of the more advanced global plant N models available, the model is dependent on theoretical C flux curves optimizing plant C allocation to root exudates, symbiotic bacteria and fungi, and retranslocation enzymes that have not been confirmed or validated with measurements—primarily because the measurement techniques had not been available, until recently. Parallel to the model developments by Fisher et al. were developments in in situ direct measurement techniques by Phillips et al. [2008; 2011], who were able to measure C fluxes from roots to soil. Not only do these techniques have the capacity to confirm and/or modify the modeling components in the Fisher et al. plant N model, but they also provide insight into how belowground C supply from roots couples the C–N cycles at the micro-site and ecosystem scales. Collectively, the integration of measurements and modeling provides empirical grounding for theoretical process behavior. Three critical components will enable us to successfully carry out this research: I) new methodological approaches developed by co-I Phillips for in situ measurement of root exudates, and belowground C fluxes that allow for testing and refinement of FUN [Phillips et al., 2008; Phillips et al., 2011]; II) an innovative research design that involves data integration across an ecological gradient, including a DOE-supported AmeriFlux tower operated by co-I Dragoni, which is essential to determining the ecosystem flux impacts [Dragoni et al., 2011]; and, III) new results from co-I Evans showing unique spectral signatures of trees in association with ectomycorrhizae (ECM) and arbuscular mycorrhizae (AM) fungi from Landsat data using spectral mixture analysis (SMA), which is key to scaling up belowground processes to regional scales [Andersson et al., 2009]. Each component provides feedback to and is intimately linked with all other components; no part operates in isolation. Our team and approach combines expertise in modeling, remote sensing, ecosystem ecology, plant physiology, soil biogeochemistry, and micrometeorology to address these inherently interdisciplinary problems and questions. This proposal directly responds to the focused Science Area of the FOA: “The role of belowground processes and mechanisms across scales (e.g., soil carbon transformation, root dynamics, mycorrhizal interactions, and plant mediated (e.g., root exudates) biogeochemical transformations) associated with a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Soil metagenomics umbrella narrative

Implementing accessible, authentic research experiences in introductory courses is challenging, particularly at institutions serving diverse student populations. To address this gap, we developed and deployed a Course-based Undergraduate Research Experience (CURE) focused on plant-microbe interactions in General Biology II at Northeastern Illinois University (NEIU), a minority-serving institution with a diverse student body. Students grew sugar beets (Beta vulgaris), extracted DNA from the rhizoplane, and used the Department of Energy Systems Biology Knowledgebase (KBase) for bioinformatic analysis to compare microbial relative abundance in fertilized versus unfertilized soil. Over five semesters, the CURE engaged 103 students and leveraged the intuitive KBase platform to make complex sequencing data accessible. Pre/post-course survey data revealed significant increases in student self-assessed research skills, including the ability to explain results and determine the types of data to collect. Furthermore, students reported significant gains in confidence related to experimental design and hypothesis development, alongside a strong increase in familiarity with KBase. Informal faculty feedback indicated high student engagement and appreciation for the real-world connections (e.g. food systems, agriculture, and health). This scalable, low-cost model effectively integrates data science tools into the foundational curriculum, demonstrating a potent strategy for boosting research skills and broadening participation in authentic scientific inquiry among diverse undergraduate students.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1985

Ordering actions for visibility

The notion of 'atomic actions' has been considered in recent work on data integrity and reliability. It has been found that the standard database operations of 'read' and 'write' carry with them severe performance limitations. For this reason, systems are now being designed in which actions operate on 'objects' through operations with more-or-less arbitrary semantics. An object (i.e., an instance of an abstract data type) comprises data, a set of operations (procedures) to manipulate the data, and a set of invariants. An 'action' is a unit of work. It appears to be primitive to its surrounding environment, and 'atomic' to other actions. Attention is given to the conventional model of nested actions, ordering requirements, the maximum possible visibility (full visibility) for items which must be controlled by ordering constraints, item management paradigms, and requirements for blocking mechanisms which provide the required visibility.

Mckendry, M. S.↗
NASA NTRS2008

NASA Tech Briefs, March 2008

Topics covered include: WRATS Integrated Data Acquisition System; Breadboard Signal Processor for Arraying DSN Antennas; Digital Receiver Phase Meter; Split-Block Waveguide Polarization Twist for 220 to 325 GHz; Nano-Multiplication-Region Avalanche Photodiodes and Arrays; Tailored Asymmetry for Enhanced Coupling to WGM Resonators; Disabling CNT Electronic Devices by Use of Electron Beams; Conical Bearingless Motor/Generators; Integrated Force Method for Indeterminate Structures; Carbon-Nanotube-Based Electrodes for Biomedical Applications; Compact Directional Microwave Antenna for Localized Heating; Using Hyperspectral Imagery to Identify Turfgrass Stresses; Shaping Diffraction-Grating Grooves to Optimize Efficiency; Low-Light-Shift Cesium Fountain without Mechanical Shutters; Magnetic Compensation for Second-Order Doppler Shift in LITS; Nanostructures Exploit Hybrid-Polariton Resonances; Microfluidics, Chromatography, and Atomic-Force Microscopy; Model of Image Artifacts from Dust Particles; Pattern-Recognition System for Approaching a Known Target; Orchestrator Telemetry Processing Pipeline; Scheme for Quantum Computing Immune to Decoherence; Spin-Stabilized Microsatellites with Solar Concentrators; Phase Calibration of Antenna Arrays Aimed at Spacecraft; Ring Bus Architecture for a Solid-State Recorder; and Image Compression Algorithm Altered to Improve Stereo Ranging.

Source record↗
DOE OSTI2025

Machine Learned Empirical Numerical Integrator from Simulated Data

Recently, a number of state-of-the-art surrogate machine learning (ML) models have been designed for global weather and climate prediction, which have been trained using reanalysis data products. Reanalysis data products are constructed using numerical model simulations that combine numerical integration of partial differential equations and parameterization schemes. These products are typically only archived and made available using coarsened spatial and temporal resolutions. This study explores the impact of the numerical generation methods used to produce the training datasets and the temporal resolution of those datasets on machine learning surrogate models. Using the nonlinear vector autoregression (NVAR) machine as an explainable ML technique, simple dynamical systems are emulated with ML models trained on data produced by three classical numerical integration schemes. NVAR is validated as a skillful ML method, capable of producing accurate predictions and, more importantly, reconstructing both the underlying dynamics and the numerical integration scheme used to generate the training data. However, the machine fails to generalize predictions on unseen test data generated by different numerical integration schemes, despite the underlying dynamical system being the same. This result provides a word of caution for the growing field of machine learning emulation of weather and climate dynamics. Furthermore, we illustrate using NVAR that training on temporally coarsened data may increase the required complexity of ML models and potentially introduce new numerical challenges. Finally, we discover that empirical integration schemes with arbitrary time-stepping sizes can be constructed directly from the data, which implies a potential for the development of empirical numerical integration schemes.

54 ENVIRONMENTAL SCIENCES↗