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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

redMaPPer. I. Algorithm and SDSS DR8 catalog

We describe redMaPPer, a new red sequence cluster finder specifically designed to make optimal use of ongoing and near-future large photometric surveys. The algorithm has multiple attractive features: (1) it can iteratively self-train the red sequence model based on a minimal spectroscopic training sample, an important feature for high-redshift surveys. (2) It can handle complex masks with varying depth. (3) It produces cluster-appropriate random points to enable large-scale structure studies. (4) All clusters are assigned a full redshift probability distribution P(z). (5) Similarly, clusters can have multiple candidate central galaxies, each with corresponding centering probabilities. (6) The algorithm is parallel and numerically efficient: it can run a Dark Energy Survey-like catalog in ∼500 CPU hours. (7) The algorithm exhibits excellent photometric redshift performance, the richness estimates are tightly correlated with external mass proxies, and the completeness and purity of the corresponding catalogs are superb. We apply the redMaPPer algorithm to ∼10, 000 deg{sup 2} of SDSS DR8 data and present the resulting catalog of ∼25,000 clusters over the redshift range z in [0.08, 0.55]. The redMaPPer photometric redshifts are nearly Gaussian, with a scatter σ {sub z} ≈ 0.006 at z ≈ 0.1, increasing to σ {sub z} ≈ 0.02 at z ≈ 0.5 due to increased photometric noise near the survey limit. The median value for |Δz|/(1 + z) for the full sample is 0.006. The incidence of projection effects is low (≤5%). Detailed performance comparisons of the redMaPPer DR8 cluster catalog to X-ray and Sunyaev-Zel'dovich catalogs are presented in a companion paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Benchmark tests and spin adaptation for the particle-particle random phase approximation

The particle-particle random phase approximation (pp-RPA) provides an approximation to the correlation energy in density functional theory via the adiabatic connection [H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013)]. It has virtually no delocalization error nor static correlation error for single-bond systems. However, with its formal O(N{sup 6}) scaling, the pp-RPA is computationally expensive. In this paper, we implement a spin-separated and spin-adapted pp-RPA algorithm, which reduces the computational cost by a substantial factor. We then perform benchmark tests on the G2/97 enthalpies of formation database, DBH24 reaction barrier database, and four test sets for non-bonded interactions (HB6/04, CT7/04, DI6/04, and WI9/04). For the G2/97 database, the pp-RPA gives a significantly smaller mean absolute error (8.3 kcal/mol) than the direct particle-hole RPA (ph-RPA) (22.7 kcal/mol). Furthermore, the error in the pp-RPA is nearly constant with the number of atoms in a molecule, while the error in the ph-RPA increases. For chemical reactions involving typical organic closed-shell molecules, pp- and ph-RPA both give accurate reaction energies. Similarly, both RPAs perform well for reaction barriers and nonbonded interactions. These results suggest that the pp-RPA gives reliable energies in chemical applications. The adiabatic connection formalism based on pairing matrix fluctuation is therefore expected to lead to widely applicable and accurate density functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Controlled precision QUBO-based algorithm to compute eigenvectors of symmetric matrices

We describe an algorithm to compute the extremal eigenvalues and corresponding eigenvectors of a symmetric matrix which is based on solving a sequence of Quadratic Binary Optimization problems. This algorithm is robust across many different classes of symmetric matrices; It can compute the eigenvector/eigenvalue pair to essentially any arbitrary precision, and with minor modifications, can also solve the generalized eigenvalue problem. Performance is analyzed on small random matrices and selected larger matrices from practical applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

An algorithm for online optimization of accelerators

We developed a general algorithm for online optimization of accelerator performance, i.e., online tuning, using the performance measure as the objective function. This method, named robust conjugate direction search (RCDS), combines the conjugate direction set approach of Powell's method with a robust line optimizer which considers the random noise in bracketing the minimum and uses parabolic fit of data points that uniformly sample the bracketed zone. Moreover, it is much more robust against noise than traditional algorithms and is therefore suitable for online application. Simulation and experimental studies have been carried out to demonstrate the strength of the new algorithm.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

A GENERALIZED STOCHASTIC COLLOCATION APPROACH TO CONSTRAINED OPTIMIZATION FOR RANDOM DATA IDENTIFICATION PROBLEMS

We present a scalable, parallel mechanism for stochastic identification/control for problems constrained by partial differential equations with random input data. Several identification objectives will be discussed that either minimize the expectation of a tracking cost functional or minimize the difference of desired statistical quantities in the appropriate $L^p$ norm, and the distributed parameters/control can both deterministic or stochastic. Given an objective we prove the existence of an optimal solution, establish the validity of the Lagrange multiplier rule and obtain a stochastic optimality system of equations. The modeling process may describe the solution in terms of high dimensional spaces, particularly in the case when the input data (coefficients, forcing terms, boundary conditions, geometry, etc) are affected by a large amount of uncertainty. For higher accuracy, the computer simulation must increase the number of random variables (dimensions), and expend more effort approximating the quantity of interest in each individual dimension. Hence, we introduce a novel stochastic parameter identification algorithm that integrates an adjoint-based deterministic algorithm with the sparse grid stochastic collocation FEM approach. This allows for decoupled, moderately high dimensional, parameterized computations of the stochastic optimality system, where at each collocation point, deterministic analysis and techniques can be utilized. The advantage of our approach is that it allows for the optimal identification of statistical moments (mean value, variance, covariance, etc.) or even the whole probability distribution of the input random fields, given the probability distribution of some responses of the system (quantities of physical interest). Our rigorously derived error estimates, for the fully discrete problems, will be described and used to compare the efficiency of the method with several other techniques. Numerical examples illustrate the theoretical results and demonstrate the distinctions between the various stochastic identification objectives.

Webster, Clayton G↗
DOE OSTI2021

A Fast Algorithm for Scanning Transmission Electron Microscopy Imaging and 4D-STEM Diffraction Simulations

Scanning transmission electron microscopy (STEM) is an extremely versatile method for studying materials on the atomic scale. Many STEM experiments are supported or validated with electron scattering simulations. However, using the conventional multislice algorithm to perform these simulations can require extremely large calculation times, particularly for experiments with millions of probe positions as each probe position must be simulated independently. Recently, the plane-wave reciprocal-space interpolated scattering matrix (PRISM) algorithm was developed to reduce calculation times for large STEM simulations. Here, we introduce a new method for STEM simulation: partitioning of the STEM probe into “beamlets,” given by a natural neighbor interpolation of the parent beams. This idea is compatible with PRISM simulations and can lead to even larger improvements in simulation time, as well requiring significantly less computer random access memory (RAM). We have performed various simulations to demonstrate the advantages and disadvantages of partitioned PRISM STEM simulations. We find that this new algorithm is particularly useful for 4D-STEM simulations of large fields of view. We also provide a reference implementation of the multislice, PRISM, and partitioned PRISM algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

RECONSTRUCTING THE ACCRETION HISTORY OF THE GALACTIC STELLAR HALO FROM CHEMICAL ABUNDANCE RATIO DISTRIBUTIONS

Observational studies of halo stars during the past two decades have placed some limits on the quantity and nature of accreted dwarf galaxy contributions to the Milky Way (MW) stellar halo by typically utilizing stellar phase-space information to identify the most recent halo accretion events. In this study we tested the prospects of using 2D chemical abundance ratio distributions (CARDs) found in stars of the stellar halo to determine its formation history. First, we used simulated data from 11 “MW-like” halos to generate satellite template sets (STSs) of 2D CARDs of accreted dwarf satellites, which are composed of accreted dwarfs from various mass regimes and epochs of accretion. Next, we randomly drew samples of ∼10{sup 3–4} mock observations of stellar chemical abundance ratios ([α/Fe], [Fe/H]) from those 11 halos to generate samples of the underlying densities for our CARDs to be compared to our templates in our analysis. Finally, we used the expectation-maximization algorithm to derive accretion histories in relation to the STS used and the sample size. For certain STSs used we typically can identify the relative mass contributions of all accreted satellites to within a factor of two. We also find that this method is particularly sensitive to older accretion events involving low-luminosity dwarfs, e.g., ultra-faint dwarfs—precisely those events that are too ancient to be seen by phase-space studies of stars and too faint to be seen by high-z studies of the early universe. Since our results only exploit two chemical dimensions and near-future surveys promise to provide ∼6–9 dimensions, we conclude that these new high-resolution spectroscopic surveys of the stellar halo will allow us to recover its accretion history—and the luminosity function of infalling dwarf galaxies—across cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A stochastic model and Monte Carlo algorithm for fluctuation-induced H{sub 2} formation on the surface of interstellar dust grains

A stochastic algorithm for simulation of fluctuation-induced kinetics of H{sub 2} formation on grain surfaces is suggested as a generalization of the technique developed in our recent studies [1] where this method was developed to describe the annihilation of spatially separate electrons and holes in a disordered semiconductor. The stochastic model is based on the spatially inhomogeneous, nonlinear integro-differential Smoluchowski equations with random source term. In this paper we derive the general system of Smoluchowski type equations for the formation of H{sub 2} from two hydrogen atoms on the surface of interstellar dust grains with physisorption and chemisorption sites. We focus in this study on the spatial distribution, and numerically investigate the segregation in the case of a source with a continuous generation in time and randomly distributed in space. The stochastic particle method presented is based on a probabilistic interpretation of the underlying process as a stochastic Markov process of interacting particle system in discrete but randomly progressed time instances. The segregation is analyzed through the correlation analysis of the vector random field of concentrations which appears to be isotropic in space and stationary in time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Anomaly Identification of Synchronized Voltage Waveform for Situational Awareness of Low Inertia Systems

Inverter-based resources (IBRs) such as photovoltaics (PVs), wind turbines, and battery energy storage systems (BESSs) are widely deployed in low-carbon power systems. However, these resources typically do not provide the inertia needed for grid stability, resulting in a low-inertia power system. IBRs and lack of inertia have been known to cause anomalies such as waveform distortions and wideband oscillations in power systems due to the limited inertia level, leading to increased generation trips and load shedding. Here, to achieve effective anomaly identification, this paper proposes a synchro-waveform-based algorithm utilizing real-time synchronized voltage waveform measurements from waveform measurement units (WMUs). In the proposed method, different physical characteristics, as well as statistical features, are extracted from synchronized voltage waveform measurements to filter anomalies. Then, the anomaly identification approach based on the random forest is developed and deployed into the FNET/GridEye system considering trade-offs among accuracy, computational burden, and deployment cost. Moreover, four WMUs are specially designed and deployed on Kauai Island to receive instantaneous synchronized voltage waveform measurements. To verify the performance of the proposed algorithm, different experiments are carried out with collected field test data. The result demonstrates that the performance of the proposed synchro-waveform-based anomaly categorization algorithm can accurately identify anomalies 95.35% of the time, which has comparable performance among benchmarking algorithms.

Situational awareness↗
DOE OSTI2024

Constraining Galaxy-Halo connection using machine learning

We investigate the potential of machine learning (ML) methods to model small-scale galaxy clustering for constraining Halo Occupation Distribution (HOD) parameters. Our analysis reveals that while many ML algorithms report good statistical fits, they often yield likelihood contours that are significantly biased in both mean values and variances relative to the true model parameters. This highlights the importance of careful data processing and algorithm selection in ML applications for galaxy clustering, as even seemingly robust methods can lead to biased results if not applied correctly. ML tools offer a promising approach to exploring the HOD parameter space with significantly reduced computational costs compared to traditional brute-force methods if their robustness is established. Using our ANN-based pipeline, we successfully recreate some standard results from recent literature. Properly restricting the HOD parameter space, transforming the training data, and carefully selecting ML algorithms are essential for achieving unbiased and robust predictions. Among the methods tested, artificial neural networks (ANNs) outperform random forests (RF) and ridge regression in predicting clustering statistics, when the HOD prior space is appropriately restricted. We demonstrate these findings using the projected two-point correlation function (w p (r p )), angular multipoles of the correlation function (ξ ℓ (r)), and the void probability function (VPF) of Luminous Red Galaxies from Dark Energy Spectroscopic Instrument mocks. Our results show that while combining w p (r p ) and VPF improves parameter constraints, adding the multipoles ξ 0 , ξ 2 , and ξ 4 to w p (r p ) does not significantly improve the constraints.

cosmology↗
DOE OSTI2024

Local modeling for FRF estimation with noisy input measurements

The frequency response function (FRF) is an essential means by which dynamic systems are qualified. In recent years, local modeling approaches have been extensively researched and shown to significantly outperform traditional FRF estimators. However, the standard local modeling approach assumes a perfectly-known system input, which results in biased FRF estimates in the presence of input noise. This paper derives a simple adjustment that can be used to improve FRF estimation for systems subjected to random excitation with noisy input data. This improvement can be implemented with little modification to standard local modeling algorithms and with little additional computational burden. The adjustment is coupled with a model selection procedure to avoid underfitting and overfitting. In conclusion, the methods presented in this paper are validated on a simulation, and they are shown to reduce bias due to input noise.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Segmentation, statistical analysis, and modelling of the wall system in ceramic foams

Closed walls in otherwise open foam structures may have a great impact on macroscopic properties of the materials. In this paper, we present two algorithms for the segmentation of such closed walls from micro-computed tomography images of the foam structure. The techniques are compared on simulated data and applied to tomographic images of ceramic filters. This allows for a detailed statistical analysis of the normal directions and sizes of the walls. Finally, we explain how the information derived from the segmented wall system can be included in a stochastic microstructure model for the foam.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The drivers and predictability of wildfire re-burns in the western United States (US)

Evidence is mounting that the effectiveness of using prescribed burns as a management tactic may be diminishing due to the higher incidence of wildfire re-burns. The development of predictive models of re-burns is thus essential to better understand their primary drivers so that forest management practices can be updated to account for these events. First, we assess the potential for human activity as a driver of re-burns by evaluating re-burn trends both within and outside of the wildland–urban interface (WUI) of the western US. Next, we investigate the predictability of re-burns through the application of both random forest and the explanatory machine learning non-negative matrix factorization using k-means clustering (NMFk) algorithms to predict re-burn occurrence over California based on a number of climate factors. Our findings indicate that while most states showed increasing trends within the WUI when trends were conducted over longer moving windows (e.g. 20 years), California was the only state where the rate of increase was consistently higher in the WUI, indicating a stronger potential for human activity as a driver in that location. Furthermore, we find model performance was found to be robust over most of California (Testing F1 scores = 0.688), although results were highly variable based on EPA level III Ecoregion (F1 scores = 0.0–0.778). Insights provided from this study will lead to a better understanding of climate and human activity drivers of re-burns and how these vary at broad spatial scales so that improvements in forest management practices can be tuned according to the level of change that is expected for a given region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Physics-driven learning of Wasserstein GAN for density reconstruction in dynamic tomography

Object density reconstruction from projections containing scattered radiation and noise is of critical importance in many applications. Existing scatter correction and density reconstruction methods may not provide the high accuracy needed in many applications and can break down in the presence of unmodeled or anomalous scatter and other experimental artifacts. Incorporating machine-learning models could prove beneficial for accurate density reconstruction, particularly in dynamic imaging, where the time evolution of the density fields could be captured by partial differential equations or by learning from hydrodynamics simulations. In this work, we demonstrate the ability of learned deep neural networks to perform artifact removal in noisy density reconstructions, where the noise is imperfectly characterized. Here, we use a Wasserstein generative adversarial network (WGAN), where the generator serves as a denoiser that removes artifacts in densities obtained from traditional reconstruction algorithms. We train the networks from large density time-series datasets, with noise simulated according to parametric random distributions that may mimic noise in experiments. The WGAN is trained with noisy density frames as generator inputs, to match the generator outputs to the distribution of clean densities (time series) from simulations. A supervised loss is also included in the training, which leads to an improved density restoration performance. In addition, we employ physics-based constraints such as mass conservation during the network training and application to further enable highly accurate density reconstructions. Our preliminary numerical results show that the models trained in our frameworks can remove significant portions of unknown noise in density time-series data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Nominal and adversarial synthetic PMU data for standard IEEE test systems

GridSTAGE (Spatio-Temporal Adversarial scenario GEneration) is a framework for the simulation of adversarial scenarios and the generation of multivariate spatio-temporal data in cyber-physical systems. GridSTAGE is developed based on Matlab and leverages Power System Toolbox (PST) where the evolution of the power network is governed by nonlinear differential equations. Using GridSTAGE, one can create several event scenarios that correspond to several operating states of the power network by enabling or disabling any of the following: faults, AGC control, PSS control, exciter control, load changes, generation changes, and different types of cyber-attacks. Standard IEEE bus system data is used to define the power system environment. GridSTAGE emulates the data from PMU and SCADA sensors. The rate of frequency and location of the sensors can be adjusted as well. Detailed instructions on generating data scenarios with different system topologies, attack characteristics, load characteristics, sensor configuration, control parameters are available in the Github repository - https://github.com/pnnl/GridSTAGE. There is no existing adversarial data-generation framework that can incorporate several attack characteristics and yield adversarial PMU data. The GridSTAGE framework currently supports simulation of False Data Injection attacks (such as a ramp, step, random, trapezoidal, multiplicative, replay, freezing) and Denial of Service attacks (such as time-delay, packet-loss) on PMU data. Furthermore, it supports generating spatio-temporal time-series data corresponding to several random load changes across the network or corresponding to several generation changes. A Koopman mode decomposition (KMD) based algorithm to detect and identify the false data attacks in real-time is proposed in https://ieeexplore.ieee.org/document/9303022. Machine learning-based predictive models are developed to capture the dynamics of the underlying power system with a high level of accuracy under various operating conditions for IEEE 68 bus system. The corresponding machine learning models are available at https://github.com/pnnl/grid_prediction.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Randomized Cholesky Preconditioning for Graph Partitioning Applications

A graph is a mathematical representation of a network; we say it consists of a set of vertices, which are connected by edges. Graphs have numerous applications in various fields, as they can model all sorts of connections, processes, or relations. For example, graphs can model intricate transit systems or the human nervous system. However, graphs that are large or complicated become difficult to analyze. This is why there is an increased interest in the area of graph partitioning, reducing the size of the graph into multiple partitions. For example, partitions of a graph representing a social network might help identify clusters of friends or colleagues. Graph partitioning is also a widely used approach to load balancing in parallel computing. The partitioning of a graph is extremely useful to decompose the graph into smaller parts and allow for easier analysis. There are different ways to solve graph partitioning problems. For this work, we focus on a spectral partitioning method which forms a partition based upon the eigenvectors of the graph Laplacian (details presented in Acer, et. al.). This method uses the LOBPCG algorithm to compute these eigenvectors. LOBPCG can be accelerated by an operator called a preconditioner. For this internship, we evaluate a randomized Cholesky (rchol) preconditioner for its effectiveness on graph partitioning problems with LOBPCG. We compare it with two standard preconditioners: Jacobi and Incomplete Cholesky (ichol). This research was conducted from August to December 2021 in conjunction with Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

4D ML reconstruction as a tool for volumetric PET-based treatment verification in ion beam radiotherapy

Purpose: An innovative strategy to improve the sensitivity of positron emission tomography (PET)-based treatment verification in ion beam radiotherapy is proposed. Methods: Low counting statistics PET images acquired during or shortly after the treatment (Measured PET) and a Monte Carlo estimate of the same PET images derived from the treatment plan (Expected PET) are considered as two frames of a 4D dataset. A 4D maximum likelihood reconstruction strategy was adapted to iteratively estimate the annihilation events distribution in a reference frame and the deformation motion fields that map it in the Expected PET and Measured PET frames. The outputs generated by the proposed strategy are as follows: (1) an estimate of the Measured PET with an image quality comparable to the Expected PET and (2) an estimate of the motion field mapping Expected PET to Measured PET. The details of the algorithm are presented and the strategy is preliminarily tested on analytically simulated datasets. Results: The algorithm demonstrates (1) robustness against noise, even in the worst conditions where 1.5 × 10{sup 4} true coincidences and a random fraction of 73% are simulated; (2) a proper sensitivity to different kind and grade of mismatches ranging between 1 and 10 mm; (3) robustness against bias due to incorrect washout modeling in the Monte Carlo simulation up to 1/3 of the original signal amplitude; and (4) an ability to describe the mismatch even in presence of complex annihilation distributions such as those induced by two perpendicular superimposed ion fields. Conclusions: The promising results obtained in this work suggest the applicability of the method as a quantification tool for PET-based treatment verification in ion beam radiotherapy. An extensive assessment of the proposed strategy on real treatment verification data is planned.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

The Evaluation of Machine Learning Techniques for Isotope Identification Contextualized by Training and Testing Spectral Similarity

Precise gamma-ray spectral analysis is crucial in high-stakes applications, such as nuclear security. Research efforts toward implementing machine learning (ML) approaches for accurate analysis are limited by the resemblance of the training data to the testing scenarios. The underlying spectral shape of synthetic data may not perfectly reflect measured configurations, and measurement campaigns may be limited by resource constraints. Consequently, ML algorithms for isotope identification must maintain accurate classification performance under domain shifts between the training and testing data. To this end, four different classifiers (Ridge, Random Forest, Extreme Gradient Boosting, and Multilayer Perceptron) were trained on the same dataset and evaluated on twelve other datasets with varying standoff distances, shielding, and background configurations. A tailored statistical approach was introduced to quantify the similarity between the training and testing configurations, which was then related to the predictive performance. Wilcoxon signed-rank tests revealed that the OVR-wrapped XGB significantly outperformed the other algorithms, with confidence levels of 99.0% or above for the 133Ba, 60Co, 137Cs, and 152Eu sources. The findings from this work are significant as they outline techniques to promote the development of robust ML-based approaches for isotope identification.

domain adaptation↗