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NASA NTRS2002

An Efficient Scheme for Updating Sparse Cholesky Factors

Raghavan had earlier developed the software package DCSPACK which can be used for solving sparse linear systems where the coefficient matrix is symmetric and positive definite (this project was not funded by NASA but by agencies such as NSF). DSCPACK-S is the serial code and DSCPACK-P is a parallel implementation suitable for multiprocessors or networks-of-workstations with message passing using MCI. The main algorithm used is the Cholesky factorization of a sparse symmetric positive positive definite matrix A = LL(T). The code can also compute the factorization A = LDL(T). The complexity of the software arises from several factors relating to the sparsity of the matrix A. A sparse N x N matrix A has typically less that cN nonzeroes where c is a small constant. If the matrix were dense, it would have O(N2) nonzeroes. The most complicated part of such sparse Cholesky factorization relates to fill-in, i.e., zeroes in the original matrix that become nonzeroes in the factor L. An efficient implementation depends to a large extent on complex data structures and on techniques from graph theory to reduce, identify, and manage fill. DSCPACK is based on an efficient multifrontal implementation with fill-managing algorithms and implementation arising from earlier research by Raghavan and others. Sparse Cholesky factorization is typically a four step process: (1) ordering to compute a fill-reducing numbering, (2) symbolic factorization to determine the nonzero structure of L, (3) numeric factorization to compute L, and, (4) triangular solution to solve L(T)x = y and Ly = b. The first two steps are symbolic and are performed using the graph of the matrix. The numeric factorization step is of dominant cost and there are several schemes for improving performance by exploiting the nested and dense structure of groups of columns in the factor. The latter are aimed at better utilization of the cache-memory hierarchy on modem processors to prevent cache-misses and provide execution rates (operations/second) that are close to the peak rates for dense matrix computations. Currently, EPISCOPACY is being used in an application at NASA directed by J. Newman and M. James. We propose the implementation of efficient schemes for updating the LL(T) or LDL(T) factors computed in DSCPACK-S to meet the computational requirements of their project. A brief description is provided in the next section.

Raghavan, Padma↗

DOE OSTI2023

FunMC^2: A Filter for Uncertainty Visualization of Marching Cubes on Multi-Core Devices

Visualization is an important tool for scientists to extract understanding from complex scientific data. Scientists need to understand the uncertainty inherent in all scientific data in order to interpret the data correctly. Uncertainty visualization has been an active and growing area of research to address this challenge. Algorithms for uncertainty visualization can be expensive, and research efforts have been focused mainly on structured grid types. Further, support for uncertainty visualization in production tools is limited. In this paper, we adapt an algorithm for computing key metrics for visualizing uncertainty in Marching Cubes (MC) to multi-core devices and present the design, implementation, and evaluation for a Filter for uncertainty visualization of Marching Cubes on Multi-Core devices (FunMC2). FunMC2 accelerates the uncertainty visualization of MC significantly, and it is portable across multi-core CPUs and GPUs. Evaluation results show that FunMC2 based on OpenMP runs around 11× to 41× faster on multi-core CPUs than the corresponding serial version using one CPU core. FunMC2 based on a single GPU is around 5× to 9× faster than FunMC2 running by OpenMP. Moreover, FunMC2 is flexible enough to process ensemble data with both structured and unstructured mesh types. Furthermore, we demonstrate that FunMC2 can be seamlessly integrated as a plugin into ParaView, a production visualization tool for post-processing.

Wang, Jay↗

NASA NTRS1978

Rotorcraft system identification techniques for handling qualities and stability and control evaluation

An integrated approach to rotorcraft system identification is described. This approach consists of sequential application of (1) data filtering to estimate states of the system and sensor errors, (2) model structure estimation to isolate significant model effects, and (3) parameter identification to quantify the coefficient of the model. An input design algorithm is described which can be used to design control inputs which maximize parameter estimation accuracy. Details of each aspect of the rotorcraft identification approach are given. Examples of both simulated and actual flight data processing are given to illustrate each phase of processing. The procedure is shown to provide means of calibrating sensor errors in flight data, quantifying high order state variable models from the flight data, and consequently computing related stability and control design models.

Hall, W. E., Jr.↗

DOE OSTI2024

A prospective on machine learning challenges, progress, and potential in polymer science

Abstract Artificial intelligence and machine learning (ML) continue to see increasing interest in science and engineering every year. Polymer science is no different, though implementation of data-driven algorithms in this subfield has unique challenges barring widespread application of these techniques to the study of polymer systems. In this Prospective, we discuss several critical challenges to implementation of ML in polymer science, including polymer structure and representation, high-throughput techniques and limitations, and limited data availability. Promising studies targeting resolution of these issues are explored, and contemporary research demonstrating the potential of ML in polymer science despite existing obstacles are discussed. Finally, we present an outlook for ML in polymer science moving forward. Graphical Abstract

Struble, Daniel C. (ORCID:0009000093410612)↗

NASA NTRS2012

Eyjafjallajokull Volcano Plume Particle-Type Characterization from Space-Based Multi-angle Imaging

The Multi-angle Imaging SpectroRadiometer (MISR) Research Aerosol algorithm makes it possible to study individual aerosol plumes in considerable detail. From the MISR data for two optically thick, near-source plumes from the spring 2010 eruption of the Eyjafjallaj kull volcano, we map aerosol optical depth (AOD) gradients and changing aerosol particle types with this algorithm; several days downwind, we identify the occurrence of volcanic ash particles and retrieve AOD, demonstrating the extent and the limits of ash detection and mapping capability with the multi-angle, multi-spectral imaging data. Retrieved volcanic plume AOD and particle microphysical properties are distinct from background values near-source, as well as for overwater cases several days downwind. The results also provide some indication that as they evolve, plume particles brighten, and average particle size decreases. Such detailed mapping offers context for suborbital plume observations having much more limited sampling. The MISR Standard aerosol product identified similar trends in plume properties as the Research algorithm, though with much smaller differences compared to background, and it does not resolve plume structure. Better optical analogs of non-spherical volcanic ash, and coincident suborbital data to validate the satellite retrieval results, are the factors most important for further advancing the remote sensing of volcanic ash plumes from space.

Kahn, Ralph A.↗

DOE OSTI2024

DyG-DPCD: A Distributed Parallel Community Detection Algorithm for Large-Scale Dynamic Graphs

Dynamic (Temporal) graphs capture the valuable evolution of real-world systems, from the continuously evolving patterns of social interactions and genetic pathways to the dynamic fluctuations of economic forces. Detecting communities for such evolving networks poses unique challenges. Detecting and analyzing the evolution of communities within dynamic graphs unlocks valuable insights into the underlying structural and temporal patterns of real-world systems. However, the sheer volume of modern graph data and the inherent complexity of the temporal dimension pose significant challenges to scalable community detection algorithms. Addressing this gap, our work explores the limited landscape of scalable distributed-memory parallel methods specifically designed for dynamic network community detection. We propose a novel parallel algorithm, DyG-DPCD (Dynamic Graph Distributed Parallel Community Detection), to detect communities in dynamic networks using the Message Passing Interface (MPI) framework. We present a vertex-centric approach, allowing us to detect communities through local optimization. Furthermore, we enhance our baseline algorithm by incorporating three heuristics, which improve the algorithm’s performance significantly while maintaining the quality of the solutions. We demonstrate the efficiency of our algorithm by experimenting on several real-world large-scale networks with hundreds of millions of edges spanning diverse domains. Notably, DyG-DPCD achieves speedups between 25× and 30× for large networks that we experimented on using NERSC compute nodes. In conclusion, our algorithm outperforms the STINGER parallel re-agglomeration algorithm by 30×.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Crystallographic variant mapping using precession electron diffraction data

In this work, we developed three methods to map crystallographic variants of samples at the nanoscale by analyzing precession electron diffraction data using a high-temperature shape memory alloy and a VO2 thin film on sapphire as the model systems. The three methods are (I) a user-selecting-reference pattern approach, (II) an algorithm-selecting-reference-pattern approach, and (III) a k-means approach. In the first two approaches, Euclidean distance, Cosine, and Structural Similarity (SSIM) algorithms were assessed for the diffraction pattern similarity quantification. We demonstrated that the Euclidean distance and SSIM methods outperform the Cosine algorithm. We further revealed that the random noise in the diffraction data can dramatically affect similarity quantification. Denoising processes could improve the crystallographic mapping quality. With the three methods mentioned above, we were able to map the crystallographic variants in different materials systems, thus enabling fast variant number quantification and clear variant distribution visualization. The advantages and disadvantages of each approach are also discussed. We expect these methods to benefit researchers who work on martensitic materials, in which the variant information is critical to understand their properties and functionalities.

Crystallographic variant mapping↗

DOE OSTI2023

Assessment of Mechanical Draft Cooling Tower Thermal Emissions from Visual Images of Plumes

Using a one-dimensional code, we computed the power (enthalpy discharge rate) of a twelve-cell mechanical draft cooling tower (MDCT) using over two hundred visible condensed water vapor plume volume measurements derived from images, weather data, and tower operating conditions. The plume images were simultaneously captured by multiple stationary digital cameras surrounding the cooling tower. An analysis technique combining structure from motion (SfM), a neural-network-based image segmentation algorithm, and space carving was used to quantify the volumes. Afterwards, the power output was computed using novel techniques in the one-dimensional code that included cooling tower exhaust plume adjacency effects implemented with a modified version of the entrainment function, weather data averaged from eleven stations, and fan operations at the times when plume volumes were measured. The model was then compared with the averaged observed power output, and it validated well with an average error ranging from 6 to 12%, depending on the meteorological data used in the simulations. This methodology can possibly determine power plant fuel consumption rates by applying visible imagery.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRSDate not supplied

Towards Sheaf Theoretic Analyses for Delay Tolerant Networking

The goal of Delay Tolerant Networking (DTN) is to take a collection of heterogeneous, disparate connections between satellites, space assets, ground stations, and ground infrastructure and bring it together into a cohesive, functioning overlay network. Depending on the systems being considered, one can find links with a one-way light time exceeding minutes (and hours),periodic links which can sometimes be predicted by orbital mechanics, and restrictions based on the variety of capabilities built into these systems. These characteristics preclude traditional network models and routing techniques and have classically led to either rigid routing tables or purely probabilistic models. As the deeper underlying structures remain unknown, development of more DTN-optimized algorithms has lacked the necessary foundation. In a continuation of previous work, the goal of this paper is to identify and study these fundamental structures that exist in delay tolerant networks (DTN), with a focus on space networks. The current routing methodology has been to use contact graph routing (CGR) algorithms. CGR models a series of known contacts as a static graph. For CGR to work, this graph must be globally consistent and must have an accurate picture of the network. Because this is a globally controlled structure, there is little room for flexibility in the event of changes to the network which would naturally occur as the network grows. As a response to the desire for flexibility as the network changes, we introduced the mathematical structure known as sheaves to DTNs last year. The tag-line for sheaves is that they are a mathematically precise way of gluing local data together into unique global data. Thus, sheaves lend extra power to traditional models(and routing algorithms) by taking additional information and merging it, in as consistent a manner as possible, with the representation itself. The clearest example of how Earth-bound networks exhibit behavior that is “sheafy” is link state routers, which build a local-to-global picture of their network by gluing local information together into a global network, exactly as a sheaf would do. For routing within delay tolerant networks to truly exploit this structure, a deeper structure than a graph is required. In this paper, we develop sheaves that can work over directed graphs such as temporal flow networks, we construct a sheaf representation for Dijkstra’s algorithm, and we outline a construction for routing sheaves capable of modeling multicast scenarios. Finally, there is a section of future work suggesting follow-on research.

Robert Short↗

NASA NTRS1992

The cool-star spectral catalog: A uniform collection of IUE SWP-LOs

Over the past decade and a half of its operations, the International Ultraviolet Explorer has recorded low-dispersion spectrograms in the 1150-2000 A interval of more than 800 stars of late spectral type (F-M). The sub-2000 A region contains a number of emission lines that are key diagnostics of physical conditions in the high-excitation chromospheres and subcoronal 'transition zones' of such stars. Many of the sources have been observed a number of times, and the available collection of SWP-LO exposures in the IUE Archives exceeds 4,000. With support from the Astrophysics Data Program, we have assembled the archival material into a catalog of IUE far-UV fluxes of late-type stars. In order to ensure uniform processing of the spectra, we: (1) photometrically corrected the raw vidicon images with a custom version of the 1985 SWP ITF; (2) identified and eliminated, sharp cosmic-ray 'hits' by means of a spatial filter; (3) extracted the spectral traces with the 'optimal' (weighted-slit) strategy; and (4) calibrated them against a well-characterized reference source, the DA white dwarf G191-B2B. Our approach is similar to that adopted by the IUE Project for its 'Final Archive', but our implementation is specialized to the case of chromospheric emission-line sources. We measured the resulting SWP-LO spectra using a semi-autonomous algorithm that establishes a smooth continuum by numerical filtering, and then fits the significant emissions (or absorptions) by means of a constrained Bevington-type multiple-Gaussian procedure. The algorithm assigns errors to the fitted fluxes - or upper limits in the absence of a significant detection - according to a model based on careful measurements of the noise properties of the IUE's intensified SEC cameras. Here, we describe the 'visualization' strategies we adopted to ensure human-review of the semi-autonomous processing and measuring algorithms; the derivation of the noise model and the assignment of errors; and the structure of the final catalog as delivered to the Astrophysics Data System.

Ayres, T.↗

DOE OSTI2026

Poisson Log-Normal Process for Count Data Prediction

Modeling count data is important in physics and other scientific disciplines, where measurements often involve discrete, non-negative quantities such as photon or neutrino detection events. Traditional parametric approaches can be trained to generate integer-count predictions but may struggle with capturing complex, non-linear dependencies often observed in the data. Gaussian process (GP) regression provides a robust non-parametric alternative to modeling continuous data; however, it cannot generate integer outputs. We propose the Poisson Log-Normal (PoLoN) process, a framework that employs GP to model Poisson log-rates. As in GP regression, our approach relies on the correlations between data points captured via GP kernel structure rather than explicit functional parameterizations. We demonstrate that the PoLoN predictive distribution is Poisson-LogNormal and provide an algorithm for optimizing kernel hyperparameters. Furthermore, we adapt the PoLoN approach to the problem of detecting weak localized signals superimposed on a smoothly varying background - a task of considerable interest in many areas of science and engineering. Our framework allows us to predict the strength, location and width of the detected signals. We evaluate PoLoN's performance using both synthetic and real-world datasets, including the open dataset from CERN which was used to detect the Higgs boson at the Large Hadron Collider. Our results indicate that the PoLoN process can be used as a non-parametric alternative for analyzing, predicting, and extracting signals from integer-valued data.

Saha, Anushka [Rutgers U., Piscataway]↗

NASA NTRS1983

Close-mode identification performance of the ITD algorithm

Results of Monte Carlo numerical simulations conducted to study the close-mode performance of the Ibrahim Time-Domain (ITD) modal identification algorithm are presented. The ITD technique is a matrix eigensolution method for obtaining structural modal parameters directly from free-response test data without using the FFT. Thus, the well-known resolution and leakage limitations of the FFT procedure, that are particularly significant with short records, are avoided. As an example, one of several experimental data analyses where close modes have been accurately identified using very short records is shown. Although the identification scatter is found to increase as the square of reductions in frequency separation at small separations, the ability to differentiate modes spaced at fractions of the FFT resolution is substantiated.

Pappa, R. S.↗

NASA NTRS1989

The topology of large-scale structure. III - Analysis of observations

A recently developed algorithm for quantitatively measuring the topology of large-scale structures in the universe was applied to a number of important observational data sets. The data sets included an Abell (1958) cluster sample out to Vmax = 22,600 km/sec, the Giovanelli and Haynes (1985) sample out to Vmax = 11,800 km/sec, the CfA sample out to Vmax = 5000 km/sec, the Thuan and Schneider (1988) dwarf sample out to Vmax = 3000 km/sec, and the Tully (1987) sample out to Vmax = 3000 km/sec. It was found that, when the topology is studied on smoothing scales significantly larger than the correlation length (i.e., smoothing length, lambda, not below 1200 km/sec), the topology is spongelike and is consistent with the standard model in which the structure seen today has grown from small fluctuations caused by random noise in the early universe. When the topology is studied on the scale of lambda of about 600 km/sec, a small shift is observed in the genus curve in the direction of a 'meatball' topology.

Gott, J. Richard, III↗

NASA NTRS2009

NASA Biomedical Informatics Capabilities and Needs

To improve on-orbit clinical capabilities by developing and providing operational support for intelligent, robust, reliable, and secure, enterprise-wide and comprehensive health care and biomedical informatics systems with increasing levels of autonomy, for use on Earth, low Earth orbit & exploration class missions. Biomedical Informatics is an emerging discipline that has been defined as the study, invention, and implementation of structures and algorithms to improve communication, understanding and management of medical information. The end objective of biomedical informatics is the coalescing of data, knowledge, and the tools necessary to apply that data and knowledge in the decision-making process, at the time and place that a decision needs to be made.

Johnson-Throop, Kathy A.↗

DOE OSTI2026

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗

NASA NTRS1995

Fast Multipole Methods for Three-Dimensional N-body Problems

We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

Koumoutsakos, P.↗

NASA NTRS1988

Arctic Sea ice studies with passive microwave satellite observations

The objectives of this research are: (1) to improve sea ice concentration determinations from passive microwave space observations; (2) to study the role of Arctic polynyas in the production of sea ice and the associated salinization of Arctic shelf water; and (3) to study large scale sea ice variability in the polar oceans. The strategy is to analyze existing data sets and data acquired from both the DMSP SSM/I and recently completed aircraft underflights. Special attention will be given the high resolution 85.5 GHz SSM/I channels for application to thin ice algorithms and processes studies. Analysis of aircraft and satellite data sets is expected to provide a basis for determining the potential of the SSM/I high frequency channels for improving sea ice algorithms and for investigating oceanic processes. Improved sea ice algorithms will aid the study of Arctic coastal polynyas which in turn will provide a better understanding of the role of these polynyas in maintaining the Arctic watermass structure. Analysis of satellite and archived meteorological data sets will provide improved estimates of annual, seasonal and shorter-term sea ice variability.

Cavalieri, D. J.↗

DOE OSTI2022

Summertime Marine Boundary Layer Cloud, Thermodynamic, and Drizzle Morphology over the Eastern North Atlantic: A Four-Year Study

Abstract Summertime remote sensor and in situ data from 2016 to 2019 collected at the ARM Eastern North Atlantic (ENA) Observatory are combined with aircraft measurements from the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign to quantify marine boundary layer (MBL) cloud, thermodynamic, and drizzle morphology in the region. A radar reflectivity–rainfall rate relationship ( Z – R ) is developed from aircraft data and 6-h cloud morphological regimes are identified from ENA data using a k -means algorithm driven by three independent inputs quantifying cloud thickness, drizzle intensity, and cloud field geometric complexity. Four separate MBL structural regimes representing non- or weakly drizzling single-layer stratocumulus, drizzling stratocumulus and cumulus-coupled stratocumulus, deep convection, and broken clouds embedded in northerly flow are identified. Single-layer stratocumulus is indicated when weak subtropical anticyclones are significantly west of the ENA site, and the MBL is cooler and drier than when drizzling and cumulus-coupled stratocumulus and broken clouds are observed. Drizzling and cumulus-coupled stratocumulus clouds are observed on the eastern flank of strong subtropical anticyclones in deep warm moist air masses with wind speeds exceeding 7 m s −1 and strong near-surface wind shear. Broken clouds exhibit strong wind shear near the inversion, while single-layer stratocumulus clouds have lower wind speeds and minimal shear. Net latent heat fluxes in the subcloud layer resulting from a combination of the ocean surface heat flux and evaporating drizzle average near zero over long periods in drizzling and cumulus-coupled stratocumulus. The ECMWF reanalysis version 5 (ERA5) is found to accurately represent single-layer stratocumulus properties, while producing significant discrepancies when drizzling stratocumulus and cumulus-coupled stratocumulus are observed.

54 ENVIRONMENTAL SCIENCES↗