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At least 757 records · Page 42

SO(3)-invariant PCA with application to molecular data

Principal component analysis (PCA) is a fundamental technique for dimensionality reduction and denoising; however, its application to three-dimensional data with arbitrary orientations -- common in structural biology -- presents significant challenges. A naive approach requires augmenting the dataset with many rotated copies of each sample, incurring prohibitive computational costs. In this paper, we extend PCA to 3D volumetric datasets with unknown orientations by developing an efficient and principled framework for SO(3)-invariant PCA that implicitly accounts for all rotations without explicit data augmentation. By exploiting underlying algebraic structure, we demonstrate that the computation involves only the square root of the total number of covariance entries, resulting in a substantial reduction in complexity. We validate the method on real-world molecular datasets, demonstrating its effectiveness and opening up new possibilities for large-scale, high-dimensional reconstruction problems.

Fraiman, Michael [Tel Aviv Univ., Tel Aviv (Israel↗

Nonprincipal plane scattering of flat plates and pattern control of horn antennas

Using the geometrical theory of diffraction, the traditional method of high frequency scattering analysis, the prediction of the radar cross section of a perfectly conducting, flat, rectangular plate is limited to principal planes. Part A of this report predicts the radar cross section in nonprincipal planes using the method of equivalent currents. This technique is based on an asymptotic end-point reduction of the surface radiation integrals for an infinite wedge and enables nonprincipal plane prediction. The predicted radar cross sections for both horizontal and vertical polarizations are compared to moment method results and experimental data from Arizona State University's anechoic chamber. In part B, a variational calculus approach to the pattern control of the horn antenna is outlined. The approach starts with the optimization of the aperture field distribution so that the control of the radiation pattern in a range of directions can be realized. A control functional is thus formulated. Next, a spectral analysis method is introduced to solve for the eigenfunctions from the extremal condition of the formulated functional. Solutions to the optimized aperture field distribution are then obtained.

Balanis, Constantine A.↗

Lobed Mixer Design for Noise Suppression Acoustic and Aerodynamic Test Data Analysis

A comprehensive database for the acoustic and aerodynamic characteristics of several model-scale lobe mixers of bypass ratio 5 to 6 has been created for mixed jet speeds up to 1080 ft/s at typical take-off (TO) conditions of small-to-medium turbofan engines. The flight effect was simulated for Mach numbers up to 0.3. The static thrust performance and plume data were also obtained at typical TO and cruise conditions. The tests were done at NASA Lewis anechoic dome and ASK's FluiDyne Laboratories. The effect of several lobe mixer and nozzle parameters, such as, lobe scalloping, lobe count, lobe penetration and nozzle length was examined in terms of flyover noise at constant altitude. Sound in the nozzle reference frame was analyzed to understand the source characteristics. Several new concepts, mechanisms and methods are reported for such lobed mixers, such as, "boomerang" scallops, "tongue" mixer, detection of "excess" internal noise sources, and extrapolation of flyover noise data from one flight speed to different flight speeds. Noise reduction of as much as 3 EPNdB was found with a deeply scalloped mixer compared to annular nozzle at net thrust levels of 9500 lb for a 29 in. diameter nozzle after optimizing the nozzle length.

Mengle, Vinod G.↗

Multiscale Characterization of Additive Manufacturing Components with Computed Tomography, 3D X-ray Microscopy, and Deep Learning

Additive manufacturing (AM) facilitates the creation of complex-geometry parts, driving advancements in lightweight aerospace components, high-efficiency engine cooling channels, and customized medical implants. However, ensuring the quality and reliability of AM parts remains challenging due to internal defects, surface irregularities, porosity, and residual trapped powder, which are often inaccessible to traditional inspection methods. Recent developments in X-ray computed tomography (XCT) and 3D X-ray microscopy (XRM), particularly systems equipped with resolution-at-a-distance (RaaD™) capabilities, enable high-resolution, non-destructive evaluation of AM components across multiple scales, from sub-micrometer to macroscopic levels. This paper explores modern XCT and XRM techniques for multiscale characterization of AM parts, focusing on their ability to detect and analyze defects such as porosity, cracks, inclusions, and surface roughness, while offering insights into defect formation mechanisms, material properties, and process-induced variations. The integration of deep learning (DL) frameworks, including Simurgh, DeepRecon, and DeepScout, enhances XCT/XRM workflows by reducing scan times, improving resolution recovery, and enabling accurate defect detection even with limited projection data. These DL-based methods overcome limitations of traditional reconstruction techniques, enabling faster, more reliable characterization of dense materials like Inconel 718 and novel alloys such as AlCe. Applications include process parameter optimization, high-throughput quality control, and multistage AM process evaluation, with DL-enhanced workflows accelerating analysis times from weeks to days. Correlative imaging approaches further validate XCT and XRM data against scanning electron microscopy (SEM) images of physically sectioned samples, confirming the accuracy of DL-based reconstructions and enabling comprehensive defect analysis. While challenges remain in generalizing DL models to diverse materials and imaging conditions, improvements in resolution, noise reduction, and defect detection highlight the transformative potential of these methods. This multiscale and correlative approach enables precise identification and correlation of microstructural features with the overall performance of AM components. By integrating advanced XCT, XRM, and DL techniques, this paper demonstrates a significant leap forward in AM characterization, offering valuable insights into the relationships between processing parameters, microstructure, and part performance, and driving innovations that enhance the quality and reliability of AM products for demanding industrial applications.

Additive manufacturing↗

Stepwise Regression Analysis of MDOE Balance Calibration Data Acquired at DNW

This paper reports a comparison of two experiment design methods applied in the calibration of a strain-gage balance. One features a 734-point test matrix in which loads are varied systematically according to a method commonly applied in aerospace research and known in the literature of experiment design as One Factor At a Time (OFAT) testing. Two variations of an alternative experiment design were also executed on the same balance, each with different features of an MDOE experiment design. The Modern Design of Experiments (MDOE) is an integrated process of experiment design, execution, and analysis applied at NASA's Langley Research Center to achieve significant reductions in cycle time, direct operating cost, and experimental uncertainty in aerospace research generally and in balance calibration experiments specifically. Personnel in the Instrumentation and Controls Department of the German Dutch Wind Tunnels (DNW) have applied MDOE methods to evaluate them in the calibration of a balance using an automated calibration machine. The data have been sent to Langley Research Center for analysis and comparison. This paper reports key findings from this analysis. The chief result is that a 100-point calibration exploiting MDOE principles delivered quality comparable to a 700+ point OFAT calibration with significantly reduced cycle time and attendant savings in direct and indirect costs. While the DNW test matrices implemented key MDOE principles and produced excellent results, additional MDOE concepts implemented in balance calibrations at Langley Research Center are also identified and described.

DeLoach, RIchard↗

Transient Catalytic Reaction Analysis Through Signal Defragmentation

The Temporal Analysis of Products (TAP) pulse response technique provides valuable insights into catalytic function and reaction kinetics. However, complex fragmentation patterns in the TAP mass spectrometry signals can complicate precise quantification, particularly when analyzing transient gas flux data typical of TAP experiments. This work demonstrates a standard defragmentation method that deconvolves transient TAP signals while maintaining the temporal resolution of the experiment. First, the integrals of calibration gas fluxes are used to determine the fingerprint fragmentation pattern and construct a fragmentation matrix. This matrix is then used to defragment experimental flux data at each recorded time point via a non-negative least squares regression. The effectiveness of this method is demonstrated using virtual data and control experiments with a TAP reactor system. The defragmentation is then applied to the more complex propane dehydrogenation reaction on a chromia/alumina catalyst, which can contain up to ten significant gas species in the reactor outlet. Initial propane pulsing reveals an induction period during which propane is fully oxidized to CO2, followed by partial reduction to CO. Afterwards, there is a transition in chemistries towards coking and propylene production. Our example illustrates a practical method for the accurate determination of the time-dependent reactant/product concentrations and rates for a thorough analysis of the propane dehydrogenation kinetics. This approach can be broadly applied to any transient mass spectrometry experiment for a better understanding of catalyst-reaction dynamics.

36 - MATERIALS SCIENCE↗

Effect of Particle Damping on an Acoustically Excited Curved Vehicle Panel Structure with varied Equipment Assemblies

Particle dampers provide a mechanism for diverting energy away from resonant structural vibrations. This experimental study provides data from trials to determine how effective use of these dampers might be for equipment mounted to a curved orthogrid vehicle panel. Trends for damping are examined for variations in damper fill level, component mass, and excitation energy. A significant response reduction at the component level would suggest that comparatively small, thoughtfully placed, particle dampers might be advantageously used in vehicle design. The results of this test will be compared with baseline acoustic response tests and other follow-on testing involving a range of isolation and damping methods. Instrumentation consisting of accelerometers, microphones, and still photography data will be collected to correlate with the analytical results.

Parsons, David↗

Denoising of imaginary time response functions with Hankel projections

Imaginary-time response functions of finite-temperature quantum systems are often obtained with methods that exhibit stochastic or systematic errors. Reducing these errors comes at a large computational cost—in quantum Monte Carlo simulations, the reduction of noise by a factor of two incurs a simulation cost of a factor of four. In this paper, we relate certain imaginary-time response functions to an inner product on the space of linear operators on Fock space. We then show that data with noise typically does not respect the positive definiteness of its associated Gramian. The Gramian has the structure of a Hankel matrix. As a method for denoising noisy data, we introduce an alternating projection algorithm that finds the closest positive definite Hankel matrix consistent with noisy data. We test our methodology at the example of fermion Green's functions for continuous-time quantum Monte Carlo data and show remarkable improvements of the error, reducing noise by a factor of up to 20 in practical examples. We argue that Hankel projections should be used whenever finite-temperature imaginary-time data of response functions with errors is analyzed, be it in the context of quantum Monte Carlo, quantum computing, or in approximate semianalytic methodologies. Published by the American Physical Society 2024

Yu, Yang (ORCID:0000000186178878)↗

Measurement and microscopic description of odd–even staggering of charge radii of exotic copper isotopes

Nuclear charge radii globally scale with atomic mass number A as A 1/3 , and isotopes with an odd number of neutrons are usually slightly smaller in size than their even-neutron neighbours. This odd–even staggering, ubiquitous throughout the nuclear landscape1, varies with the number of protons and neutrons, and poses a substantial challenge for nuclear theory. Here, we report measurements of the charge radii of short-lived copper isotopes up to the very exotic 78 Cu (with proton number Z = 29 and neutron number N = 49), produced at only 20 ions s –1 , using the collinear resonance ionization spectroscopy method at the Isotope Mass Separator On-Line Device facility (ISOLDE) at CERN. We observe an unexpected reduction in the odd–even staggering for isotopes approaching the N = 50 shell gap. To describe the data, we applied models based on nuclear density functional theory and A-body valence-space in-medium similarity renormalization group theory. Through these comparisons, we demonstrate a relation between the global behaviour of charge radii and the saturation density of nuclear matter, and show that the local charge radii variations, which reflect the many-body polarization effects, naturally emerge from A-body calculations fitted to properties of A ≤ 4 nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ML-based Dimension Reduction Strategies

Deep learning (DL)--based surrogate models have achieved success in various applications in carbon capture and storage (CCS). However, the model training on high-dimensional spaces is computationally expensive and impractical for large-scale and complex geological models, because the models usually contain hundreds of thousands to millions of grid cells, each with a set of parameters. Furthermore, the high cost of generating training data with sufficient variation is another limitation of model training on high-dimensional spaces, which may result in overfitting and reduce the model efficiency and prediction performance. We proposed the workflow incorporating dimension reduction methods and deep learning models, which aim to extract the latent variables of input parameters and output state variables, and then build the mapping function at the latent spaces. The proposed workflow can significantly reduce the computational complexity in solving both forward and inverse problems compared to models trained on high-dimensional spaces. Dimensionality reduction models showed great potential in workflows for fast reservoir simulation, history matching, prior model generation, visualization, and more, ultimately enhancing DL model performance in related SMART Work Packages.

Hosseini, Seyyed↗

Methods for Incorporating Model Uncertainty into Exoplanet Atmospheric Analysis

A key goal of exoplanet spectroscopy is to measure atmospheric properties, such as abundances of chemical species, in order to connect them to our understanding of atmospheric physics and planet formation. In this new era of high-quality JWST data, it is paramount that these measurement methods are robust. When comparing atmospheric models to observations, multiple candidate models may produce reasonable fits to the data. Typically, conclusions are reached by selecting the best-performing model according to some metric. This ignores model uncertainty in favor of specific model assumptions, potentially leading to measured atmospheric properties that are overconfident and/or incorrect. In this paper, we compare three ensemble methods for addressing model uncertainty by combining posterior distributions from multiple analyses: Bayesian model averaging, a variant of Bayesian model averaging using leave-one-out predictive densities, and stacking of predictive distributions. We demonstrate these methods by fitting the Hubble Space Telescope (HST) + Spitzer transmission spectrum of the hot Jupiter HD 209458b using models with different cloud and haze prescriptions. All of our ensemble methods lead to uncertainties on retrieved parameters that are larger but more realistic and consistent with physical and chemical expectations. Since they have not typically accounted for model uncertainty, uncertainties of retrieved parameters from HST spectra have likely been underreported. We recommend stacking as the most robust model combination method. Our methods can be used to combine results from independent retrieval codes and from different models within one code. They are also widely applicable to other exoplanet analysis processes, such as combining results from different data reductions.

79 ASTRONOMY AND ASTROPHYSICS↗

Douglas Experience in Flight Flutter Testing

Douglas Aircraft Company experience in flight flutter testing is reviewed briefly, with comments on state-of-the-art excitation and instrumentation techniques used up to the present time. The limitations of previous techniques are discussed with emphasis on the problem of: (1) establishing a flutter margin of safety for predicted marginal flutter modes; (2) resolving instances of flutter not predicted by theoretical calculations in advance; and (3) delaying the airplane demonstration by time consumed in acquisition and reduction of flutter data. Current Douglas philosophy in flight flutter testing is presented and a description given of steady-state vane excitation system development, automatic data handling system, and the potential application of automatic computing methods for increasing flutter data yield.

Philbrick, J.↗

Optimization of the lithium/thionyl chloride battery

A 1-D math model for the lithium/thionyl chloride primary cell is used in conjunction with a parameter estimation technique in order to estimate the electro-kinetic parameters of this electrochemical system. The electro-kinetic parameters include the anodic transfer coefficient and exchange current density of the lithium oxidation, alpha sub a,1 and i sub o,i,ref, the cathodic transfer coefficient and the effective exchange current density of the thionyl chloride reduction, alpha sub c,2 and a sup o i sub o,2,ref, and a morphology parameter, Xi. The parameter estimation is performed on simulated data first in order to gain confidence in the method. Data, reported in the literature, for a high rate discharge of an experimental lithium/thionyl chloride cell is used for an analysis.

White, Ralph E.↗

Orbit determination of highly elliptical Earth orbiters using improved Doppler data-processing modes

A navigation error covariance analysis of four highly elliptical Earth orbits is described, with apogee heights ranging from 20,000 to 76,800 km and perigee heights ranging from 1,000 to 5,000 km. This analysis differs from earlier studies in that improved navigation data-processing modes were used to reduce the radio metric data. For this study, X-band (8.4-GHz) Doppler data were assumed to be acquired from two Deep Space Network radio antennas and reconstructed orbit errors propagated over a single day. Doppler measurements were formulated as total-count phase measurements and compared to the traditional formulation of differenced-count frequency measurements. In addition, an enhanced data-filtering strategy was used, which treated the principal ground system calibration errors affecting the data as filter parameters. Results suggest that a 40- to 60-percent accuracy improvement may be achievable over traditional data-processing modes in reconstructed orbit errors, with a substantial reduction in reconstructed velocity errors at perigee. Historically, this has been a regime in which stringent navigation requirements have been difficult to meet by conventional methods.

Estefan, J. A.↗

Taylor approximation variance reduction for approximation errors in PDE-constrained Bayesian inverse problems

In numerous applications, surrogate models are used as a replacement for accurate parameter-to-observable mappings when solving large-scale inverse problems governed by partial differential equations (PDEs). The surrogate model may be a computationally cheaper alternative to the accurate parameter-to-observable mappings and/or may ignore additional unknowns or sources of uncertainty. The Bayesian approximation error (BAE) approach provides a means to account for the induced uncertainties and approximation errors, i.e. the errors between the accurate parameter-to-observable mapping and the surrogate. The statistics of these errors are, however, in general unknown a priori, and are thus calculated using Monte Carlo sampling. Although the sampling is typically carried out offline, i.e. before considering the data, the process can still represent a computational bottleneck. In this work, we develop a scalable computational approach for reducing the costs associated with the sampling stage of the BAE approach. Specifically, we consider the Taylor expansion of the accurate and surrogate forward models with respect to the uncertain parameter fields either as a control variate for variance reduction or as a means to directly and efficiently approximate the mean and covariance of the approximation errors. We propose efficient methods for evaluating the expressions for the mean and covariance of the Taylor approximations based on linear(-ized) PDE solves. Furthermore, the proposed approach is independent of the dimension of the uncertain parameter, depending instead on the intrinsic dimension of the data, ensuring scalability to high-dimensional problems. The potential benefits of the proposed approach are demonstrated for two high-dimensional inverse problems governed by PDE examples, namely for the estimation of a distributed Robin boundary coefficient in a linear diffusion problem, and for a coefficient estimation problem governed by a nonlinear diffusion problem.

Bayesian approximation error↗

Data acquisition and reduction for the University of Virginia superconducting magnetic suspension and balance facility

The problems associated with data acquisition and reduction in the U.Va. superconducting magnetic suspension and balance facility are similar to those in free-flight ranges (or tunnels). The model undergoes a Quasi-six-degree of freedom motion which must be monitored both in position and angular orientation problem is made more difficult because geometric constraints prevent direct visual access to the model in the Mach 3 wind tunnel. The methods, accuracies and problems associated with the acquisition of data are discussed.

Jacobson, I. D.↗

An approach to combine neutron and ion irradiation data to accelerate material qualification for nuclear reactors

Next-generation nuclear power plants are generally characterized by higher operating temperatures, increased neutron fluences and energies, and distinct corrosive coolant environments versus the existing light water reactor fleet. Whether using existing materials in new environments, newly developed materials tailored for these environments, or new manufacturing methods, the traditional decades-long approach for materials qualification does not facilitate rapid deployment. Ion irradiation has demonstrated success in reproducing material microstructure and select property evolution resulting from neutron irradiation with three to four orders of magnitude reduction in time and cost, making it an ideal candidate for accelerated irradiation testing. Because microstructure has a large impact on bulk material properties, limited neutron irradiation data at lower damage levels can in principle be combined with accelerated ion testing results and modeling and simulation to form an accurate prediction of microstructure evolution and select properties under different neutron irradiation conditions and at higher damage levels. The objective of this work is to present a conceptual framework of specific steps to fulfill several technical challenges associated with qualifying materials for performance in radiation environments on an accelerated time frame. A brief review of the regulatory landscape for materials in nuclear environments is presented, followed by additional overviews to understand the current state of the art for correlation of materials properties across radiation environments using experimental and computational methodologies. Finally, the roles of academia, national laboratories, and industry in the advancement of this accelerated materials qualification framework are discussed as a path forward, with possible case studies presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Detecting False Data Injection Attacks in Smart Grids: A Semi-Supervised Deep Learning Approach

The dependence on advanced information and communication technology increases the vulnerability in smart grids under cyber-attacks. Recent research on unobservable false data injection attacks (FDIAs) reveals the high risk of secure system operation, since these attacks can bypass current bad data detection mechanisms. To mitigate this risk, this paper proposes a data-driven learning-based algorithm for detecting unobservable FDIAs in distribution systems. We use autoencoders for efficient dimension reduction and feature extraction of measurement datasets. Further, we integrate the autoencoders into an advanced generative adversarial network (GAN) framework, which successfully detects anomalies under FDIAs by capturing the unconformity between abnormal and secure measurements. Also, considering that the datasets collected from practical power systems are partially labeled due to expensive labeling costs and missing labels, the proposed method only requires a few labeled measurement data in addition to unlabeled data for training. Numerical simulations in three-phase unbalanced IEEE 13-bus and 123-bus distribution systems validate the detection accuracy and efficiency of this method.

97 MATHEMATICS AND COMPUTING↗