Results for “graph analytics” — Page 4

NASA NTRS1984

Effects of viscosity and modes on transonic aerodynamic and aeroelastic characteristics of wings

The unsteady transonic aerodynamic and aeroelastic behavior of a rectangular wing with a NACA 64A010 profile and a swept-back wing with a supercritical MBB-A3 profile is investigated analytically, applying 2D analysis of viscous effects to the 3D case. The results are presented in graphs and tables and discussed. It is found that the inclusion of viscous effects increases the flutter speed of the wings.

Guruswamy, G. P.↗

NASA NTRS2019

A Segmentation Algorithm for Characterizing Rise and Fall Segments in Seasonal Cycles: An Application to XCO2 to Estimate Benchmarks and Assess Model Bias

There is more useful information in the time series of satellite-derived column-averaged carbon dioxide (XCO2) than is typically characterized. Often, the entire time series is treated at once without considering detailed features at shorter timescales, such as nonstationary changes in signal characteristics – amplitude, period and phase. In many instances, signals are visually and analytically differentiable from other portions in a time series. Each rise (increasing) and fall (decreasing) segment in the seasonal cycle is visually discernable in a graph of the time series. The rise and fall segments largely result from seasonal differences in terrestrial ecosystem production, which means that the segment's signal characteristics can be used to establish observational benchmarks because the signal characteristics are driven by similar underlying processes. We developed an analytical segmentation algorithm to characterize the rise and fall segments in XCO2 seasonal cycles. We present the algorithm for general application of the segmentation analysis and emphasize here that the segmentation analysis is more generally applicable to cyclic time series. We demonstrate the utility of the algorithm with specific results related to the comparison between satellite- and model-derived XCO2 seasonal cycles (2009–2012) for large bioregions across the globe. We found a seasonal amplitude gradient of 0.74–0.77 ppm for every 10∘ of latitude in the satellite data, with similar gradients for rise and fall segments. This translates to a south–north seasonal amplitude gradient of 8 ppm for XCO2, about half the gradient in seasonal amplitude based on surface site in situ CO2 data (∼19 ppm). The latitudinal gradients in the period of the satellite-derived seasonal cycles were of opposing sign and magnitude (−9 d per 10∘ latitude for fall segments and 10 d per 10∘ latitude for rise segments) and suggest that a specific latitude (∼2∘ N) exists that defines an inversion point for the period asymmetry. Before (after) the point of asymmetry inversion, the periods of rise segments are lesser (greater) than the periods of fall segments; only a single model could reproduce this emergent pattern. The asymmetry in amplitude and the period between rise and fall segments introduces a novel pattern in seasonal cycle analyses, but, while we show these emergent patterns exist in the data, we are still breaking ground in applying the information for science applications. Maybe the most useful application is that the segmentation analysis allowed us to decompose the model biases into their correlated parts of biases in amplitude, period and phase independently for rise and fall segments. We offer an extended discussion on how such information about model biases and the emergent patterns in satellite-derived seasonal cycles can be used to guide future inquiry and model development.

Calle, Leonardo↗

NASA NTRS2019

A Segmentation Algorithm for Characterizing Rise and Fall Segments in Seasonal Cycles: an Application to Xco2 to Estimate Benchmarks and Assess Model Bias

There is more useful information in the time series of satellite-derived column-averaged carbon dioxide (XCO2) than is typically characterized. Often, the entire time series is treated at once without considering detailed features at shorter timescales, such as nonstationary changes in signal characteristics – amplitude, period and phase. In many instances, signals are visually and analytically differentiable from other portions in a time series. Each rise (increasing) and fall (decreasing) segment in the seasonal cycle is visually discernable in a graph of the time series. The rise and fall segments largely result from seasonal differences in terrestrial ecosystem production, which means that the segment's signal characteristics can be used to establish observational benchmarks because the signal characteristics are driven by similar underlying processes. We developed an analytical segmentation algorithm to characterize the rise and fall segments in XCO2 seasonal cycles. We present the algorithm for general application of the segmentation analysis and emphasize here that the segmentation analysis is more generally applicable to cyclic time series. We demonstrate the utility of the algorithm with specific results related to the comparison between satellite- and model-derived XCO2 seasonal cycles (2009–2012) for large bioregions across the globe. We found a seasonal amplitude gradient of 0.74–0.77 ppm for every 10∘ of latitude in the satellite data, with similar gradients for rise and fall segments. This translates to a south–north seasonal amplitude gradient of 8 ppm for XCO2, about half the gradient in seasonal amplitude based on surface site in situ CO2 data (∼19 ppm). The latitudinal gradients in the period of the satellite-derived seasonal cycles were of opposing sign and magnitude (−9 d per 10∘ latitude for fall segments and 10 d per 10∘ latitude for rise segments) and suggest that a specific latitude (∼2∘ N) exists that defines an inversion point for the period asymmetry. Before (after) the point of asymmetry inversion, the periods of rise segments are lesser (greater) than the periods of fall segments; only a single model could reproduce this emergent pattern. The asymmetry in amplitude and the period between rise and fall segments introduces a novel pattern in seasonal cycle analyses, but, while we show these emergent patterns exist in the data, we are still breaking ground in applying the information for science applications. Maybe the most useful application is that the segmentation analysis allowed us to decompose the model biases into their correlated parts of biases in amplitude, period and phase independently for rise and fall segments. We offer an extended discussion on how such information about model biases and the emergent patterns in satellite-derived seasonal cycles can be used to guide future inquiry and model development.

segmentation algorithm↗

DOE OSTI2024

Graph-Based Modeling for the Detection and Tracking of Sarin-Surrogate-Induced Neurotoxicity Using a Human-Relevant, In-Vitro Brain Model

Organophosphorus (OP) nerve agents are a chemical threat to the United States, to the civilian population (e.g., pesticides) and historically weaponized (e.g., sarin) as chemical warfare agents. The unprecedented, accelerated process from “bench-to-bedside” during the SARSCov2 pandemic has made it clear that technology and tools need to be readily available for immediate response. Advances in human organ tissue mimetic systems are a promising technology to evaluate the human-relevant response in vitro for basic and applied research and drug screening. In particular, current brain microphysiological systems (MPS) have the capability to monitor and detect changes in engineered human neural circuit activity. However, current data analytics approaches for these systems lack the granularity to functionally detect and distinguish the different mechanisms that occur in the brain following neurotoxicity, injury, and disease. The goal of this project was to advance the computational analytical capabilities of the brain MPS to detect functional changes in neural circuit structure at different stages of Sarin surrogate-induced neurotoxicity. We developed graph-based models to (1) identify the composition of the neural circuit structure; (2) detect and monitor how this structure changes following sarin-induced neurotoxicity; and (3) evaluate the analytical pipeline using known/promising oxime reactivators. Through experiments on the bMPS where in vitro neuronal cultures were exposed to a sarin surrogate, we demonstrated the capabilities of our computational pipeline to identify different responses in the functional networks of brain cells exposed to low and high concentrations of the nerve agent. We identified a biphasic response of human neural network activity following exposure to a sarin-surrogate that had not been reported in the literature before. The graph-based models and software developed in this project can be used for future studies that leverage the brain MPS technology, such as treatment efficacy assessment.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

A graph embedding‐based approach for automatic cyber‐physical power system risk assessment to prevent and mitigate threats at scale

Abstract Power systems are facing an increasing number of cyber incidents, potentially leading to damaging consequences to both physical and cyber aspects. However, the development of analytical methods for the study of large‐scale power infrastructures as cyber‐physical systems is still in its early stages. Drawing inspiration from machine‐learning techniques, the authors introduce a method inspired by the principles of graph embedding that is tailored for quantitative risk assessment and the exploration of possible mitigation strategies of large‐scale cyber‐physical power systems. The primary advantage of the graph embedding approach lies in its ability to generate numerous random walks on a graph, simulating potential access paths. Meanwhile, it enables capturing high‐dimensional structures in low‐dimensional spaces, facilitating advanced machine‐learning applications, and ensuring scalability and adaptability for comprehensive network analysis. By employing this graph embedding‐based approach, the authors present a structured and methodical framework for risk assessment in cyber‐physical systems. The proposed graph embedding‐based risk analysis framework aims to provide a more insightful perspective on cyber‐physical risk assessment and situation awareness for power systems. To validate and demonstrate its applicability, the method has been tested on two cyber‐physical power system models: the Western System Coordinating Council (WSCC) 9‐Bus System and the Illinois 200‐Bus System , thereby showing its advantages in enhancing the accuracy of risk analysis and comprehensiveness of situational awareness.

Sun, Shining↗

DOE OSTI2025

Many-body expansion based machine learning models for octahedral transition metal complexes

Abstract Graph-based machine learning (ML) models for material properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D information and are unable to distinguish stereoisomers such as those arising from different orderings of ligands around a metal center in coordination complexes. In this work we present a modification to revised autocorrelation descriptors, a molecular graph featurization method, for predicting spin state dependent properties of octahedral transition metal complexes (TMCs). Inspired by analytical semi-empirical models for TMCs, the new modeling strategy is based on the many-body expansion (MBE) and allows one to tune the captured stereoisomer information by changing the truncation order of the MBE. We present the necessary modifications to include this approach in two commonly used ML methods, kernel ridge regression and feed-forward neural networks. On a test set composed of all possible isomers of binary TMCs, the best MBE models achieve mean absolute errors (MAEs) of 2.75 kcal mol −1 on spin-splitting energies and 0.26 eV on frontier orbital energy gaps, a 30%–40% reduction in error compared to models based on our previous approach. We also observe improved generalization to previously unseen ligands where the best-performing models exhibit MAEs of 4.00 kcal mol −1 (i.e. a 0.73 kcal mol −1 reduction) on the spin-splitting energies and 0.53 eV (i.e. a 0.10 eV reduction) on the frontier orbital energy gaps. Because the new approach incorporates insights from electronic structure theory, such as ligand additivity relationships, these models exhibit systematic generalization from homoleptic to heteroleptic complexes, allowing for efficient screening of TMC search spaces.

Meyer, Ralf (ORCID:0000000322360261)↗

NASA NTRS1980

Evaluation of a three-processor architecture for a satellite packet switch

The architecture of a microprocessor-based packet switch using three processors for use on-board satellites is presented. The operation of the switch involves three distinct functions, namely, the input, the routing and the output functions. Each of these functions is performed by one of the three microprocessors. The operation of the switch along with those of the corresponding software routines are explained. An expression for the throughput is presented. A queue theoretic model of the switch is developed. Analytical expressions for the overall average response time at the various queues are obtained. A number of graphs showing the average response time as a function of some parameters of the switch are also presented.

Arozullakh, M.↗

NASA NTRS2003

Neural Network and Regression Methods Demonstrated in the Design Optimization of a Subsonic Aircraft

The neural network and regression methods of NASA Glenn Research Center s COMETBOARDS design optimization testbed were used to generate approximate analysis and design models for a subsonic aircraft operating at Mach 0.85 cruise speed. The analytical model is defined by nine design variables: wing aspect ratio, engine thrust, wing area, sweep angle, chord-thickness ratio, turbine temperature, pressure ratio, bypass ratio, fan pressure; and eight response parameters: weight, landing velocity, takeoff and landing field lengths, approach thrust, overall efficiency, and compressor pressure and temperature. The variables were adjusted to optimally balance the engines to the airframe. The solution strategy included a sensitivity model and the soft analysis model. Researchers generated the sensitivity model by training the approximators to predict an optimum design. The trained neural network predicted all response variables, within 5-percent error. This was reduced to 1 percent by the regression method. The soft analysis model was developed to replace aircraft analysis as the reanalyzer in design optimization. Soft models have been generated for a neural network method, a regression method, and a hybrid method obtained by combining the approximators. The performance of the models is graphed for aircraft weight versus thrust as well as for wing area and turbine temperature. The regression method followed the analytical solution with little error. The neural network exhibited 5-percent maximum error over all parameters. Performance of the hybrid method was intermediate in comparison to the individual approximators. Error in the response variable is smaller than that shown in the figure because of a distortion scale factor. The overall performance of the approximators was considered to be satisfactory because aircraft analysis with NASA Langley Research Center s FLOPS (Flight Optimization System) code is a synthesis of diverse disciplines: weight estimation, aerodynamic analysis, engine cycle analysis, propulsion data interpolation, mission performance, airfield length for landing and takeoff, noise footprint, and others.

Hopkins, Dale A.↗

NASA NTRS1980

A microprocessor based high speed packet switch for satellite communications

The architectures of a single processor, a three processor, and a multiple processor system are described. The hardware circuits, and software routines required for implementing the three and multiple processor designs are presented. A bit-slice microprocessor was designed and microprogrammed. Maximum throughput was calculated for all three designs. Queue theoretic models for these three designs were developed and utilized to obtain analytical expressions for the average waiting times, overall average response times and average queue sizes. From these expressions, graphs were obtained showing the effect on the system performance of a number of design parameters.

Arozullah, M.↗

NASA NTRS1986

Pb, Sr, Nd, and Hf isotopic constraints on the origin of Hawaiian basalts and evidence for a unique mantle source

The isotopic Pb, Sr, Nd, and Hf compositions of rocks from nine Hawaiian volcanos are determined using the analytical procedures described by Tatsumoto and Unruh (1976) and Patchett and Tatsumoto (1980). The results are presented in graphs, tables, and maps and characterized in detail. The mantle plume, the oceanic lithosphere, and the depleted mantle are identified as distinct sources of the Hawaiian basalts, with different mechanisms responsible for the formation of shield-building tholeiites, late-stage alkalic rocks, and posterosional basalts. The uniqueness of the Hawaiian basalts and the possibility that the Koolau end member represents an undepleted 'primitive' mantle reservoir are considered.

Stille, P.↗

NASA NTRS1989

A finite-element method for large-amplitude, two-dimensional panel flutter at hypersonic speeds

The nonlinear flutter behavior of a two-dimensional panel in hypersonic flow is investigated analytically. An FEM formulation based unsteady third-order piston theory (Ashley and Zartarian, 1956; McIntosh, 1970) and taking nonlinear structural and aerodynamic phenomena into account is derived; the solution procedure is outlined; and typical results are presented in extensive tables and graphs. A 12-element finite-element solution obtained using an alternative method for linearizing the assumed limit-cycle time function is shown to give predictions in good agreement with classical analytical results for large-amplitude vibration in a vacuum and large-amplitude panel flutter, using linear aerodynamics.

Mei, Chuh↗

NASA NTRSDate not supplied

Planning for Compilation of a Quantum Algorithm for Graph Coloring

Recently, the problem of compiling general quantum algorithms for implementation on near-term quantum processors has been introduced to the AI community. Previous work demonstrated that temporal planning is an attractive approach for part of this compilation task, specifically, the routing of circuits that implement the Quantum Alternating Operator Ansatz (QAOA) applied to theMaxCut problem on a quantum processor architecture. In this paper, we extend the earlier work to route circuits that implement QAOAfor Graph Coloring problems. QAOA for coloring requires execution of more, and more complex, operations on the chip, which makes routing a more challenging problem. We evaluate the approach on state-of-the-art hardware architectures from leading quantum computing companies. Additionally, we investigate applying the planning approach to qubit initialization as well as routing. Our empirical evaluation shows that temporal planning compares well to reasonable analytic upper bounds [20], and that solving qubit initialization with a classical planner generally helps temporal planners in finding shorter-makespan compilations for QAOA for Graph Coloring.These advances suggest that temporal planning can be an effective approach for more complex quantum computing algorithms and architectures.

Minh Do↗

NASA NTRS1986

Turbulent solutions of the Navier-Stokes equations

Analytical and numerical approaches to the mechanics of turbulent flow are examined in a general introduction and illustrated with graphs. Topics discussed include the averaged and unaveraged basic equations, numerical solutions and methods, homogeneous fluctuations and turbulence with no mean flow, uniformly sheared fluctuations and turbulence, inhomogeneous fluctuations and turbulence in a developing shear layer, and steady-state homogeneous turbulence with a spatially periodic body force.

Deissler, R. G.↗

NASA NTRS1973

Analytical study to define a helicoper stability derivative extraction method, volume 2

The data generated during tests to determine helicopter stability derivatives are presented in the form of graphs. The data are based on CH-53A helicopters and CH-54B helicopters with various digital filters operating at various airspeeds. Curves are plotted for a time history comparison of identified derivative models against flight data for the helicopters at specific airspeeds and maneuvers.

Molusis, J. A.↗

NASA NTRS1973

Path-length distributions of photons diffusely reflected from a semi-infinite atmosphere.

Knowledge of the probability distribution of photon path lengths for diffuse reflection in the continuum from a planetary atmosphere greatly simplifies computation of the shape and strength of absorption lines formed under conditions of multiple scattering. Graphs of this probability distribution are presented for diffuse reflection from a semiinfinite conservative atmosphere for both isotropic and forward-directed scattering, and for several angles of incidence and reflection. Graphs showing distributions for the case of absorption in the continuum are also discussed. The distributions are obtained from an analytic expression for the path-length distribution for nth-order scattering and a tabulation of nth-order intensities. It is found that te shape of the probability distribution depends markedly on the degree of forward scattering due to the phase function. The results are compared with those obtained by a Monte Carlo computation of the sort which might be used if tabulated nth-order intensities were not available.

Appleby, J. F.↗

NASA NTRS1988

The ATAMM procedure model for concurrent processing of large grained control and signal processing algorithms

An overview is presented of a model for describing data and control flow associated with the execution of large-grained, decision-free algorithms in a special distributed computer environment. The ATAMM (Algorithm-To-Architecture Mapping Model) model provides a basis for relating an algorithm to its execution in a dataflow multicomputer environment. The ATAMM model features a marked graph Petri net description of the algorithm behavior with regard to both data and control flow. The model provides an analytical basis for calculating performance bounds on throughput characteristics which are demonstrated here.

Stoughton, John W.↗

NASA NTRS1990

Flow induced vibration and noise by a pair of tandem cylinders due to buffeting

The generation of noise by vortex buffeting on a pair of cylinders in tandem in unsteady high-Reynolds-number flow is investigated analytically. The derivation of the governing equations is outlined, and numerical results for several initial vortex configurations are presented in extensive graphs and characterized in detail. Particular attention is given to the possibility of chaotic vortex motion, and it is shown that chaotic motion does not occur when there are three vortices but does appear when there are four.

Kim, C. M.↗

DOE OSTI2025

Ca X ML: Chemistry‐informed machine learning explains mutual changes between protein conformations and calcium ions in calcium‐binding proteins using structural and topological features

Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes. However, it is unclear whether the limited experimental data available can be effectively used to train models to accurately predict the charges of calcium-binding protein variants. Here, we developed a chemistry-informed, machine-learning algorithm that implements a game theoretic approach to explain the output of a machine-learning model without the prerequisite of an excessively large database for high-performance prediction of atomic charges. We used the ab initio electronic structure data representing calcium ions and the structures of the disordered segments of calcium-binding peptides with surrounding water molecules to train several explainable models. Network theory was used to extract the topological features of atomic interactions in the structurally complex data dictated by the coordination chemistry of a calcium ion, a potent indicator of its charge state in protein. Our design created a computational tool of Ca X ML, which provided a framework of explainable machine learning model to annotate ionic charges of calcium ions in calcium-binding proteins in response to the chemical changes in an environment. Our framework will provide new insights into protein design for engineering functionality based on the limited size of scientific data in a genome space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗