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At least 793 records · Page 44

Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis

Designing alternative fuels for advanced compression ignition engines necessitates a predictive model for cetane number (CN). In this study, the physics-informed graph neural networks are introduced for a reliable CN prediction by considering molecular features pertinent to the physical properties of molecules that affect CN. The reliability of measured data is another key factor to consider for improving the predictive model. Various experimental instruments for measuring CN exist, including standard and non-standard methods. In this regard, a systematic data quality analysis was carried out for the total 630 CNs collected from literature and new measurements in this study using Advanced Fuel Ignition Delay Analyzer (AFIDA). The results from this data curation process were reflected in the model by imposing lower sample weights on the data coming from less reliable measurement techniques. This approach effectively maximized the prediction accuracy while incorporating data from all available sources. Using the sample weights decreased the mean absolute error (MAE) up to 0.8 CN units. The accuracy was also improved by introducing the CN-related physical properties (the number of hydrogen bond donors and acceptors); the test set MAE is 5.74 and 7.01 for the model with and without such properties, respectively. Investigating molecular structural effects on CN was also carried out to gain chemical insights into factors used to design new fuel candidates. The dimensionality reduction analysis of feature vectors showed a clear clustering in terms of functional groups and CN and the structural effect derived from the model was consistent with the physicochemical insights. Finally, this physics-informed model and data curation would be helpful for accurate CN prediction and inform rational fuel design.

97 MATHEMATICS AND COMPUTING↗

Deep generative learning of magnetic frustration in artificial spin ice from magnetic force microscopy images

Increasingly large datasets of microscopic images with nanoscale resolution facilitate the development of machine learning methods to identify and analyze subtle physical phenomena embedded within the images. In this work, microscopic images of honeycomb lattice spin-ice samples serve as datasets from which we automate the calculation of net magnetic moments and directional orientations of spin-ice configurations. In the first stage of our workflow, machine learning models are trained to accurately predict magnetic moments and directions within spin-ice structures. Variational Autoencoders (VAEs), an emergent unsupervised deep learning technique, are employed to generate high-quality synthetic magnetic force microscopy (MFM) images and extract latent feature representations, thereby reducing experimental and segmentation errors. The second stage of proposed methodology enables precise identification and prediction of frustrated vertices and nanomagnetic segments, effectively correlating structural and functional aspects of microscopic images. This facilitates the design of optimized spin-ice configurations with controlled frustration patterns, enabling potential on-demand synthesis.

36 MATERIALS SCIENCE↗

Simultaneous Sensing Error Recovery and Tomographic Inversion Using an Optimization-Based Approach

Tomography can be used to reveal internal properties of a 3D object using any penetrating wave. Advanced tomographic imaging techniques, however, are vulnerable to both systematic and random errors associated with the experimental conditions, which are often beyond the capabilities of the state-of-the-art reconstruction techniques such as regularizations. Because they can lead to reduced spatial resolution and even misinterpretation of the underlying sample structures, these errors present a fundamental obstacle to full realization of the capabilities of next-generation physical imaging. In this work, we develop efficient and explicit recovery schemes of the most common experimental error: movement of the center of rotation during the experiment. We formulate new physical models to capture the experimental setup, and we devise new mathematical optimization formulations for reliable inversion of complex samples. We demonstrate and validate the efficacy of our approach on synthetic data under known perturbations of the center of rotation.

Nonlinear optimization↗

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗

The mean magnetic field of the sun - Observations at Stanford

A solar telescope has been built to study the organization and evolution of large-scale solar magnetic fields and velocities. The observations are made using a Babcock-type magnetograph connected to a 22.9-m vertical Littrow spectrograph. Sun-as-a-star integrated-light measurements of the mean solar magnetic field have been made daily since May 1975. The typical mean-field magnitude has been about 0.15 G, with a typical measurement error of less than 0.05 G. The mean-field polarity pattern is essentially identical to the interplanetary-magnetic-field sector structure (seen near earth with a four-day lag). The differences in the observed structures can be understood in terms of a 'warped current sheet' model.

Scherrer, P. H.↗

Adding dynamic rules to self-organizing fuzzy systems

This paper develops a Dynamic Self-Organizing Fuzzy System (DSOFS) capable of adding, removing, and/or adapting the fuzzy rules and the fuzzy reference sets. The DSOFS background consists of a self-organizing neural structure with neuron relocation features which will develop a map of the input-output behavior. The relocation algorithm extends the topological ordering concept. Fuzzy rules (neurons) are dynamically added or released while the neural structure learns the pattern. The DSOFS advantages are the automatic synthesis and the possibility of parallel implementation. A high adaptation speed and a reduced number of neurons is needed in order to keep errors under some limits. The computer simulation results are presented in a nonlinear systems modelling application.

Buhusi, Catalin V.↗

Reliability of magnetic inclination angle determinations for pulsars

We compare the recent estimates of the inclination angle alpha between the rotation and magnetic axes of 56 pulsars made by both Lyne and Manchester (1988) and Rankin (1990). Their results agree reasonably well when alpha is less than about 40 deg; however, there is no correlation between the two estimates of alpha if either estimate exceeds 40 deg. The correlation is better for pulsars with beams having more complicated core structure. Nevertheless, the differences between the two sets of estimates are large enough that use of these estimates to investigate pulsar physics is questionable. We discuss the method for determining alpha based on the Radhakrishnan and Cooke (1969) single-vector model, emphasizing its sensitivity to measurement errors. This method complements the approaches of Rankin and Lyne and Manchester and is preferable when accurate polarization data are available.

Miller, M. C.↗

System Identification of Damped Truss-Like Space Structures

A spacecraft payload flown on a launch vehicle experiences dynamic loads. The dynamic loads are caused by various phenomena ranging from the start-up of the launch vehicle engine to wind gusts. A spacecraft payload should be designed to meet launch vehicle dynamic loads. One of the major steps taken towards determining the dynamic loads is to correlate the finite element model of the spacecraft with the test results of a modal survey test. A test-verified finite element model of the spacecraft should possess the same spatial properties (stiffness, mass, and damping) and modal properties (frequencies and mode shapes) as the test hardware representing the spacecraft. The test-verified and correlated finite element model of the spacecraft is then coupled with the finite element model of the launch vehicle for analysis of loads and stress. Modal survey testing, verification of a finite element model, and modification of the finite element model to match the modal survey test results can easily be accomplished if the spacecraft structure is simple. However, this is rarely the case. A simple structure here is defined as a structure where the influence of nonlinearity between force and displacement (uncertainty in a test, for example, with errors in input and output), and the influence of damping (structural, coulomb, and viscous) are not pronounced. The objective of this study is to develop system identification and correlation methods with the focus on the structural systems that possess nonproportional damping. Two approaches to correct the nonproportional damping matrix of a truss structure were studied, and have been implemented on truss-like structures such as the National Aeronautics and Space Administration's space station truss. The results of this study showed nearly 100 percent improvement of the correlated eigensystem over the analytical eigensystem. The first method showed excellent results with up to three modes used in the system identification process. The second method could handle more modes, but required more computer usage time, and the results were less accurate than those of the first method.

Armand, Sasan↗

Underexpanded Screeching Jets From Circular, Rectangular, and Elliptic Nozzles

The screech frequency and amplitude, the shock spacing, the hydrodynamic-acoustic standing wave spacing, and the convective velocity of large organized structures are measured in the nominal Mach number range of 1.1 less than or = Mj less that or = l0.9 for supersonic, underexpanded jets exhausting from a circular, a rectangular and an elliptic nozzle. This provides a carefully measured data set useful in comparing the importance of various physical parameters in the screech generation process. The hydrodynamic-acoustic standing wave is formed between the potential pressure field of large turbulent structures and the acoustic pressure field of the screech sound. It has been demonstrated earlier that in the currently available screech frequency prediction models replacement of the shock spacing by the standing wave spacing provides an exact expression. In view of this newly found evidence, a comparison is made between the average standing wavelength and the average shock spacing. It is found that there exists a small, yet important, difference, which is dependent on the azimuthal screech mode. For example, in the flapping modes of circular, rectangular, and elliptic jets, the standing wavelength is slightly longer than the shock spacing, while for the helical screech mode in a circular jet the opposite is true. This difference accounts for the departure of the existing models from predicting the exact screech frequency. Another important parameter, necessary in screech prediction, is the convective velocity of the large organized structures. It is demonstrated that the presence of the hydrodynamic-acoustic standing wave, even inside the jet shear layer, becomes a significant source of error in the convective velocity data obtained using the conventional methods. However, a new relationship, using the standing wavelength and screech frequency is shown to provide more accurate results.

Panda, J.↗

Nonlinear Visco-Elastic Response of Composites via Micro-Mechanical Models

Micro-mechanical models for a study of nonlinear visco-elastic response of composite laminae are developed and their performance compared. A single integral constitutive law proposed by Schapery and subsequently generalized to multi-axial states of stress is utilized in the study for the matrix material. This is used in conjunction with a computationally facile scheme in which hereditary strains are computed using a recursive relation suggested by Henriksen. Composite response is studied using two competing micro-models, viz. a simplified Square Cell Model (SSCM) and a Finite Element based self-consistent Cylindrical Model (FECM). The algorithm is developed assuming that the material response computations are carried out in a module attached to a general purpose finite element program used for composite structural analysis. It is shown that the SSCM as used in investigations of material nonlinearity can involve significant errors in the prediction of transverse Young's modulus and shear modulus. The errors in the elastic strains thus predicted are of the same order of magnitude as the creep strains accruing due to visco-elasticity. The FECM on the other hand does appear to perform better both in the prediction of elastic constants and the study of creep response.

Gates, Thomas S.↗

Operational Data Reduction Procedure for Determining Density and Vertical Structure of the Martian Upper Atmosphere from Mars Global Surveyor Accelerometer Measurements

The success of aerobraking by the Mars Global Surveyor (MGS) spacecraft was partly due to the analysis of MGS accelerometer data. Accelerometer data was used to determine the effect of the atmosphere on each orbit, to characterize the nature of the atmosphere, and to predict the atmosphere for future orbits. To interpret the accelerometer data, a data reduction procedure was developed to produce density estimations utilizing inputs from the spacecraft, the Navigation Team, and pre-mission aerothermodynamic studies. This data reduction procedure was based on the calculation of aerodynamic forces from the accelerometer data by considering acceleration due to gravity gradient, solar pressure, angular motion of the MGS, instrument bias, thruster activity, and a vibration component due to the motion of the damaged solar array. Methods were developed to calculate all of the acceleration components including a 4 degree of freedom dynamics model used to gain a greater understanding of the damaged solar array. The total error inherent to the data reduction procedure was calculated as a function of altitude and density considering contributions from ephemeris errors, errors in force coefficient, and instrument errors due to bias and digitization. Comparing the results from this procedure to the data of other MGS Teams has demonstrated that this procedure can quickly and accurately describe the density and vertical structure of the Martian upper atmosphere.

Cancro, George J.↗

Improving Boundary Layer Data Assimilation in the NASA GEOS System

The Goddard Earth Observing System (GEOS) developed by the NASA Global Modeling and Assimilation Office assimilates a wide range of observations to support various NASA Earth Science missions. As Measurement of planetary boundary layer (PBL) was designated as an incubation program by the 2018 Decadal Survey, we have aimed to improve PBL thermodynamic structure using data from multiple observing systems. In particular, we have developed strategies and infrastructure to assimilate PBL height (PBLH) data derived from radiosondes, GNSS radio occultation, space-based lidar (CALIPSO, CATS, IceSat-2), ground-based lidar (MPLNET) and radar wind profilers to produce global PBL height analyses. We have also explored methods to better represent capping inversions by using PBLH data together with other observations in the GEOS to adjust background error covariance and enhance model PBL parameterization performance.

Y. Zhu↗

Cross-correlation of Planck CMB lensing with DESI-like LRGs

ABSTRACT Cross-correlations between the lensing of the cosmic microwave background (CMB) and other tracers of large-scale structure provide a unique way to reconstruct the growth of dark matter, break degeneracies between cosmology and galaxy physics, and test theories of modified gravity. We detect a cross-correlation between Dark Energy Spectroscopic Instrument (DESI)-like luminous red galaxies (LRGs) selected from DECam Legacy Survey imaging and CMB lensing maps reconstructed with the Planck satellite at a significance of S/N = 27.2 over scales ℓmin = 30, ℓmax = 1000. To correct for magnification bias, we determine the slope of the LRG cumulative magnitude function at the faint limit as s = 0.999 ± 0.015, and find corresponding corrections of the order of a few per cent for $C^{\kappa g}_{\ell }, C^{gg}_{\ell }$ across the scales of interest. We fit the large-scale galaxy bias at the effective redshift of the cross-correlation zeff ≈ 0.68 using two different bias evolution agnostic models: a HaloFit times linear bias model where the bias evolution is folded into the clustering-based estimation of the redshift kernel, and a Lagrangian perturbation theory model of the clustering evaluated at zeff. We also determine the error on the bias from uncertainty in the redshift distribution; within this error, the two methods show excellent agreement with each other and with DESI survey expectations.

79 ASTRONOMY AND ASTROPHYSICS↗

Ecological Insights from Transferable Plant Biomass Mapping across the Arctic using High-resolution Structure-from-Motion and LiDAR Data

Warmer temperatures, permafrost thaw, and increased wildfire activity are driving rapid ecological change across the Arctic, significantly altering plant productivity and aboveground biomass (AGB). These rapid changes highlight the urgent need to improve monitoring of vegetation dynamics in the Earth’s northern ecosystems, where high spatiotemporal heterogeneity occurs at scales finer than those captured by traditional satellite observations. The growing use of Unoccupied Aerial Systems (UASs) presents an opportunity to overcome this limitation. Yet, the diversity of UAS platforms, sensors, and data collection and processing workflows presents challenges for developing standardized, generalizable approaches. To address this challenge, we compiled 672 AGB plots co-located with 183 UAS-based Structure-from-Motion (SfM) or Light Detection and Ranging (LiDAR) surveys collected across the Arctic. Here, we: (1) evaluated the generalizability of UAS-derived canopy structure derived from high-resolution SfM and LiDAR for estimating AGB, (2) assessed scaling errors and their sources in two recent satellite-based AGB products derived from Landsat and MODIS, and (3) demonstrated the use of high-resolution AGB maps to quantify biomass variation across tundra plant functional types (PFTs) and to monitor post-fire recovery. Our results show that both SfM and LiDAR accurately captured AGB and its variability across tundra PFTs using a Random Forest (RF) model (overall RMSE: 0.336 kg/m2), with mapping performance varying slightly by region and data source. Using UAS-derived AGB maps as a benchmark, we identified systematic biases in satellite-derived AGB products, largely attributable to the magnitude of AGB and structural heterogeneity within coarse-resolution pixels. Applying our model to repeat UAS surveys following a tundra fire on Seward Peninsula, we observed rapid AGB recovery in non-shrub patches, with biomass recovering to pre-fire levels within 2 years. In contrast, shrub patches recovered more slowly, with AGB gains continuing over 2–4 years through both in-patch growth and lateral expansion (via dispersal) into remaining burned areas. Overall, these findings demonstrate the generalizability of UAS-based SfM and LiDAR data for estimating tundra AGB and highlight the potential of our approach to be broadly applied to generate high-quality AGB data for ecological monitoring and model benchmarking across the Arctic.

Yang, Daryl [ORNL] (ORCID:0000000317057823)↗

Learning Model Structural Uncertainty with Gaussian Processes

The advent of commercially available quantum computers has marked the beginning of quantum computing as a reality. Both quantum gate and annealing computers have been released by major computer hardware companies. In this work, the D-Wave 2XTM quantum annealing computer housed at the NASA Advanced Systems computational facility is investigated to accelerate Machine Learning (ML) for image registration. NASA collects large amounts of images over the globe remotely using space-based monitoring. Images of a fixed areas of the land surface are taken over time. Due to the orbit of the sensors, the viewing angles deviate slightly, and it is necessary to align or register the images precisely to create image time series over the land surface. Unaligned images can lead to substantial analysis errors. These time-series are then used in modeling Earth Systems models such as hydrological, weather, and carbon monitoring models. In this work, we consider the Moderate Resolution Image Spectrometer (MODIS) data collected by the NASA's terra satellite. Artificial Neural Networks (ANNs) is a natural fit for ML modelling of images. Several successes have been reported using machine learning related to image processing. We investigate the use of ML to register MODIS images. ANNs are investigated in combination with a Restricted Boltzmann Machines (RBM) as an auto-encoder. We will present results showing the accuracy and efficiency of this approach.The D-Wave 2XTM quantum annealer samples the ground-state wave-function of a spin-Ising systems with quadratic interactions between qubits and a Chimera connectivity. The system sits in a ~15 mK thermal bath. One can think of the system as being placed in the ground state initially and subject to thermal excitations governed by Boltzmann statistics. If this is assumed true, one can use the statistics from the D-Wave 2XTM to train RBMs. Generating statistics for training Boltzmann machines is an NP-hard problem and constitutes the largest compute cost. We investigate the use of the D-Wave 2XTM to accelerate the training of the RBMs in our ANNs and report on the results.

Kouatchou, Jules↗

A two dimensional interface element for coupling of independently modeled three dimensional finite element meshes and extensions to dynamic and non-linear regimes

The work reported here pertains only to the first year of research for a three year proposal period. As a prelude to this two dimensional interface element, the one dimensional element was tested and errors were discovered in the code for built-up structures and curved interfaces. These errors were corrected and the benchmark Boeing composite crown panel was analyzed successfully. A study of various splines led to the conclusion that cubic B-splines best suit this interface element application. A least squares approach combined with cubic B-splines was constructed to make a smooth function from the noisy data obtained with random error in the coordinate data points of the Boeing crown panel analysis. Preliminary investigations for the formulation of discontinuous 2-D shell and 3-D solid elements were conducted.

Aminpour, Mohammad↗

Robust decentralized control laws for the ACES structure

Control system design for the Active Control Technique Evaluation for Spacecraft (ACES) structure at NASA Marshall Space Flight Center is discussed. The primary objective of this experiment is to design controllers that provide substantial reduction of the line-of-sight pointing errors. Satisfaction of this objective requires the controllers to attenuate beam vibration significantly. The primary method chosen for control design is the optimal projection approach for uncertain systems (OPUS). The OPUS design process allows the simultaneous tradeoff of five fundamental issues in control design: actuator sizing, sensor accuracy, controller order, robustness, and system performance. A brief description of the basic ACES configuration is given. The development of the models used for control design and control design for eight system loops that were selected by analysis of test data collected from the structure are discussed. Experimental results showing that very significant performance improvement is achieved when all eight feedback loops are closed are presented.

Collins, Emmanuel G., Jr.↗

AAPM Truth‐based CT (TrueCT) reconstruction grand challenge

Background: This Special Report summarizes the 2022, AAPM grand challenge on Truth-based CT image reconstruction. Purpose: To provide an objective framework for evaluating CT reconstruction methods using virtual imaging resources consisting of a library of simulated CT projection images of a population of human models with various diseases. Methods: Two hundred unique anthropomorphic, computational models were created with varied diseases consisting of 67 emphysema, 67 lung lesions, and 66 liver lesions. The organs were modeled based on clinical CT images of real patients. The emphysematous regions were modeled using segmentations from patient CT cases in the COPDGene Phase I dataset. For the lung and liver lesion cases, 1–6 malignant lesions were created and inserted into the human models, with lesion diameters ranging from 5.6 to 21.9 mm for lung lesions and 3.9 to 14.9 mm for liver lesions. The contrast defined between the liver lesions and liver parenchyma was 82 ± 12 HU, ranging from 50 to 110 HU. Similarly, the contrast between the lung lesions and the lung parenchyma was defined as 781 ± 11 HU, ranging from 725 to 805 HU. For the emphysematous regions, the defined HU values were −950 ± 17 HU ranging from −918 to −979 HU. The developed human models were imaged with a validated CT simulator. The resulting CT sinograms were shared with the participants. The participants reconstructed CT images from the sinograms and sent back their reconstructed images. Further, the reconstructed images were then scored by comparing the results against the corresponding ground truth values. The scores included both task-generic (root mean square error [RMSE] and structural similarity matrix [SSIM]), and task-specific (detectability index [d’] and lesion volume accuracy) metrics. For the cases with multiple lesions, the measured metric was averaged across all the lesions. To combine the metrics with each other, each metric was normalized to a range of 0 to 1 per disease type, with “0” and “1” being the worst and best measured values across all cases of the disease type for all received reconstructions. Results: The True-CT challenge attracted 52 participants, out of which 5 successfully completed the challenge and submitted the requested 200 reconstructions. Across all participants and disease types, SSIM absolute values ranged from 0.22 to 0.90, RMSE from 77.6 to 490.5 HU, d’ from 0.1 to 64.6, and volume accuracy ranged from 1.2 to 753.1 mm3. The overall scores demonstrated that participant “A” had the best performance in all categories, except for the metrics of d’ for lung lesions and RMSE for liver lesions. Participant “A” had an average normalized score of 0.41 ± 0.22, 0.48 ± 0.32, and 0.42 ± 0.33 for the emphysema, lung lesion, and liver lesion cases, respectively. Conclusions: The True-CT challenge successfully enabled objective assessment of CT reconstructions with the unique advantage of access to a diverse population of diseased human models with known ground truth. This study highlights the significant potential of virtual imaging trials in objective assessment of medical imaging technologies.

60 APPLIED LIFE SCIENCES↗