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DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

In this work, we present a scalable approach for inferring the dark energy equation-of-state parameter ($w$) from a population of strong gravitational lens images using Simulation-Based Inference (SBI). Strong gravitational lensing offers crucial insights into cosmology, but traditional Monte Carlo methods for cosmological inference are computationally prohibitive and inadequate for processing the thousands of lenses anticipated from future cosmic surveys. New tools for inference, such as SBI using Neural Ratio Estimation (NRE), address this challenge effectively. By training a machine learning model on simulated data of strong lenses, we can learn the likelihood-to-evidence ratio for robust inference. Our scalable approach enables more constrained population-level inference of $w$ compared to individual lens analysis, constraining $w$ to within $1\sigma$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1998

Neural Networks for Rapid Design and Analysis

Artificial neural networks have been employed for rapid and efficient dynamics and control analysis of flexible systems. Specifically, feedforward neural networks are designed to approximate nonlinear dynamic components over prescribed input ranges, and are used in simulations as a means to speed up the overall time response analysis process. To capture the recursive nature of dynamic components with artificial neural networks, recurrent networks, which use state feedback with the appropriate number of time delays, as inputs to the networks, are employed. Once properly trained, neural networks can give very good approximations to nonlinear dynamic components, and by their judicious use in simulations, allow the analyst the potential to speed up the analysis process considerably. To illustrate this potential speed up, an existing simulation model of a spacecraft reaction wheel system is executed, first conventionally, and then with an artificial neural network in place.

Sparks, Dean W., Jr.↗

DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2005

BEAM Technology Flight Demonstration

As technologies advance, their growing complexity makes them harder to maintain. Detection methods for isolating and identifying impending problems are needed to balance this complexity. Through comparison of signal pairs from onboard sensors, the Beacon-based Exception Analysis For Multimissions (BEAM) algorithm can identify and help classify deviations in system operation from a data-trained statistical model. The goal of this task is to mature BEAM and validate its performance on a flying test bed. A series of F-18 flight demonstrations with BEAM monitoring engine parameters in real time was used to demonstrate in-the-field readiness. Captured F-18 and simulated F-18 engine data were used in model creation and training. The algorithm was then ported to the embedded system with a data buffering, file writing, and data-time-stamp monitoring shell to reduce the impact of embedded system faults on BEAM'S ability to correctly identify engine faults. Embedded system testing identified hardware related restrictions and contributed to iterative improvements in the code's runtime performance. The system was flown with forced engine flameouts and other pilot induced faults to simulate operation out of the norm. Successful detection of these faults, confirmed through post-flight data analysis, helped BEAM achieve TRL6.

Wang, David↗

DOE OSTI2026

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗

DOE OSTI2025

Improving microstructures segmentation via pretraining with synthetic data

Image analysis of material microstructures through microscopy is an integral capability in the field of materials science. The topological and chemical information obtained through microscopy allow us to draw vital connections between material microstructures, properties, and processing. While scanning electron microscopy (SEM) is able to yield a considerable wealth of information interpretable by the intuition of experts, there has been considerable interest in using machine learning, convolutional neural networks (CNNs) in particular, for such image analysis task. Training CNNs for an image analysis task requires a large annotated dataset. However, in many materials science applications, obtaining a large annotated dataset is cost and labor intensive. In this work, we study the use of synthetic data to enlarge the available annotated experimental data of uranium oxide. We utilize a modified Potts model to simulate uranium oxide particles with morphologies similar to those observed experimentally. We then leverage an image-to-image translation model to synthesize the simulated particles as if they are acquired with SEM. Through this process, we obtain pairs of particle images and their corresponding SEM representations, which corresponds to pairs of annotations and images. Unlike previous works, we leverage synthetic data for pretraining a CNN model prior, and finetune that model further with experimental data. We experimentally demonstrate that using synthetic data as incremental learning process benefits the overall performance compared to training a model on combined synthetic and experimental data.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

X-ray diffraction is ideal for probing the sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and because of the inability to deconvolute the effects of different lattice deformation mechanisms. Here, we present a novel approach that uses combinations of physics-based modeling and machine learning to deconvolve thermal and mechanical elastic strains for diffraction data analysis. The method builds on a previous effort to extract thermal strain distribution information from diffraction data. The new approach is applied to extract the evolution of the thermomechanical state during laser melting of an Inconel 625 wall specimen which produces significant residual stress upon cooling. A combination of heat transfer and fluid flow, elasto-plasticity and X-ray diffraction simulations is used to generate training data for machine-learning (Gaussian process regression, GPR) models that map diffracted intensity distributions to underlying thermomechanical strain fields. First-principles density functional theory is used to determine accurate temperature-dependent thermal expansion and elastic stiffness used for elasto-plasticity modeling. The trained GPR models are found to be capable of deconvoluting the effects of thermal and mechanical strains, in addition to providing information about underlying strain distributions, even from complex diffraction patterns with irregularly shaped peaks.

36 MATERIALS SCIENCE↗

DOE OSTI2026

A Nonparametric Method for the Inference of Halo Occupation Distributions

The galaxy–halo connection traces processes by which galaxies form and evolve. The halo occupation distribution (HOD) describes the relationship between galaxies and their host dark matter haloes. Measurements of the galaxy two-point correlation function (2PCF) allow us to extract information about the HODs of observed galaxy samples. Several parametric HOD models have been proposed in the literature, but the choice of parameterization restricts the space of possible HODs. To resolve this issue, we introduce a nonparametric HOD fitting method in which we train an emulator to learn the mappings among the galaxy 2PCF, physical properties used to select galaxy samples, and the HOD, all obtained from simulated past light cones constructed with the Santa Cruz semianalytic model. Implementing this emulator within a likelihood analysis framework, we derive constraints on the HOD of a galaxy sample when provided with a measurement of its 2PCF. Using the emulator to accelerate likelihood evaluations, we test the nonparametric HOD approach on a set of 2PCFs for mock galaxy samples drawn from the TNG100-1 simulation and selected above threshold values of stellar mass and star formation rate. Our framework is able to recover TNG100-1 HODs within 0.2 dex. We use the TNG100-1 mocks to tune the reported uncertainties to estimate those expected in the analysis of observations. Comparing to parametric HOD modelling routines applied to the same mock galaxy samples, our approach consistently infers the HOD with comparable or greater precision and accuracy.

Kennedy, Jacob [Rutgers Univ., Piscataway, NJ (Uni↗

NASA NTRS1986

The analysis of airline flight records for winds and performance with application to the Delta 191 accident

Advanced analytical methods applied to airline digital flight records and ATC radar tracking data are providing new insights into atmospheric disturbances that cause serious operating problems for aircraft. Performance-based methods for estimating unmeasured flow angles and the possible influence of rain on lift and drag, and a state-estimation procedure for determining winds along the flightpath are reviewed. The methods are applied to data records from the Delta Flight 191 wind-shear accident at the Dallas/Ft. Worth Airport (August 2, 1985) which involved an L-1011 airliner on final approach. The results indicate that the aircraft encountered a strong downlow followed by a strong outflow accompanied by large and rapid changes in the vertical wind. This pattern of low-level winds is consistent with the model that treats a downburst as a vortex ring. Although rain was present in the downburst, the analysis showed no evidence of performance loss. The results obtained from analyses of airline turbulence encounters provide a means for simulating turbulence phenomena and for training pilots for future encounters.

Bach, R. E., Jr.↗

DOE OSTI2025

High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

DOE OSTI2026

Dark Energy Survey Year 3 results: Simulation-based 𝑤CDM inference from weak lensing and galaxy clustering maps with deep learning: Analysis design

Data-driven approaches using deep learning are emerging as powerful techniques to extract non-Gaussian information from cosmological large-scale structure. Here, this work presents the first simulation-based inference (SBI) pipeline that combines weak lensing and galaxy clustering maps in a realistic Dark Energy Survey Year 3 (DES Y3) configuration and serves as preparation for a forthcoming analysis of the survey data. We develop a scalable forward model based on the CosmoGridV1 suite of N-body simulations to generate over one million self-consistent mock realizations of DES Y3 at the map level. Leveraging this large dataset, we train deep graph convolutional neural networks on the full survey footprint in spherical geometry to learn low-dimensional features that approximately maximize mutual information with target parameters. These learned compressions enable neural density estimation of the implicit likelihood via normalizing flows in a ten-dimensional parameter space spanning cosmological 𝑤CDM, intrinsic alignment, and linear galaxy bias parameters, while marginalizing over baryonic, photometric redshift, and shear bias nuisances. To ensure robustness, we extensively validate our inference pipeline using synthetic observations derived from both systematic contaminations in our forward model and independent Buzzard galaxy catalogs. Our forecasts yield significant improvements in cosmological parameter constraints, achieving 2−3× higher figures of merit in the 𝛺 𝑚 − 𝑆 8 plane relative to our implementation of baseline two-point statistics and effectively breaking parameter degeneracies through probe combination. These results demonstrate the potential of SBI analyses powered by deep learning for upcoming Stage-IV wide-field imaging surveys.

Thomsen, A. [Zurich, ETH] (ORCID:0000000203099021)↗

NASA NTRS1990

Order (n) DISCOS for multibody systems with gear reduction

Recent developments in O(n) algorithms (where n is the number of bodies in the system) and parallel processing have drastically reduced the computer time needed to simulate systems involving many bodies. This paper presents a gear-reduction model for the O(n) version of DISCOS, a standard software package for simulation and analysis of flexible multibody systems. The gear-reduction model allows the accurate modeling of harmonic drives, which are commonly used in robot joints. The formulation has been implemented and validated with known results. The gear model can also be used for gear-train, rack-and-pinion, and screw joints.

Chun, Hon M.↗

NASA NTRS2020

Enabling Dynamic Vehicle Analyses With Improved Atmospheric Attenuation Models in Glenn Research Center Communication Analysis Suite

To aid in meeting the NASA objective of returning humans to the Moon, the Glenn Research Center’s Communication Analysis Suite was augmented with two distinct capabilities. The first capability added was the vehicle propagator. This allows the addition of dynamic aircraft and ground vehicles around any celestial body within the solar system during an analysis. This functionality interpolates the position and velocity of the vehicle relative to a celestial body at the time steps analyzed using the type of path and either a series of waypoints or a direction and duration of travel. The implications of this new capability include lunar rovers and/or drones, such as Dragonfly, where the vehicle propagator will analyze the communications architecture. The newly created vehicle propagator is now in use in communications studies for the 2024 lunar missions, simulating the movement of lunar rovers across the Moon’s southern pole. The second capability added was the augmentation of the atmospheric attenuation model. The previous model did not have a uniform low-elevation attenuation model due to the trigonometric approximation for path length and the exponential nature of low-elevation scintillation. User-defined weather parameters were also added to the updated atmospheric attenuation model. The previous model solely used tabular data based upon the season and location of the transmitting antenna. Multiple simulations of the same configuration now return different results based on the differing weather parameters. Cognitive communications analysis efforts can use this second capability to generate neural network training data based on differing weather conditions at utilized ground stations, a critical step in allowing neural networks to learn how weather parameters impact communications performance.

vehicle propagation↗

DOE OSTI2025

Robust Spectral Anomaly Detection in EELS Spectral Images via 3D Convolutional Variational Autoencoders

Abstract A 3D Convolutional Variational Autoencoder (3D‐CVAE) is introduced for automated anomaly detection in electron energy‐loss spectroscopy spectrum imaging (EELS‐SI) data. This approach leverages the full 3D structure of EELS‐SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing cross‐entropy loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect‐free material. In exploring methods for anomaly detection, both the 3D‐CVAE approach and principal component analysis (PCA) are evaluated, testing their performance using FeL‐edge ΔEpeak shifts designed to simulate material defects. These results show that 3D‐CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between bulk and anomalous spectra, enabling reliable classification. Further analysis verifies that lower‐dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise‐dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS‐SI data, particularly valuable for analyzing complex material systems.

Chemistry↗

NASA NTRS2013

Investigation of Control Inceptor Dynamics and Effect on Human Subject Performance

The control inceptor used in a vehicle simulation is an important part of adequately representing the dynamics of the vehicle. The inceptor characteristics are typically based on a second order spring mass damper system with damping, force gradient, breakout force, and natural frequency parameters. Changing these parameters can have a great effect on pilot control of the vehicle. A quasi transfer of training experiment was performed employing a high fidelity and a low fidelity control inceptor. A disturbance compensatory task was employed which involved a simple horizon line disturbed in roll by a sum of sinusoids presented in an out-the-window display. Vehicle dynamics were modeled as 1/s and 1/s2. The task was to maintain level flight. Twenty subjects were divided between the high and the low fidelity training groups. Each group was trained to a performance asymptote, and then transferred to the high fidelity simulation. RMS tracking error, a PSD analysis, and a workload analysis were performed to quantify the transfer of training effect. Quantitative results of the experiments show that there is no significant difference between the high and low fidelity training groups for 1/s plant dynamics. For 1/s2 plant dynamics there is a greater difference in tracking performance and PSD; and the subjects are less correlated with the input disturbance function

Stanco, Anthony A.↗

NASA NTRS2016

The Man-machine Integration Design and Analysis System (MIDAS) Software Training Documentation

This document is a training manual for MIDAS v5 that takes an user through the hardware and software requirements for the MIDAS V5 software, the steps required to download the software, and the steps that a user needs to take to create a MIDAS simulation. The training guide also illustrates how the models interact to generate MIDAS predictions of operator performance along task, workload, and situation awareness timelines and provides the test routines that were conducted to verify the operation of the integrated MIDAS models. The training guide shows the user how the MIDAS task model interacts with and controls an anthropometric model through its use of behavioral primitives. The training documentation also illustrates one approach that has been used to filter and analyze MIDAS output.

Brian F. Gore↗

NASA NTRSDate not supplied

PALMO: An OVERFLOW Machine Learning Airfoil Performance Database

The OVERFLOW Machine Learning Airfoil Performance (PALMO) database has been created to enable robust modeling of airfoil performance in a variety of applications. The PALMO database uses OVERFLOW simulation data second-order accurate in time and fourth-order accurate in space with Spalart-Allmaras turbulence closure. The foundation of the in-development PALMO database is the airfoil base cube. Each base cube includes simulation data parametrized over a range of Mach numbers, Reynolds numbers, and angles-of-attack. This database includes the NACA 4-series airfoils, with parametrization in airfoil thickness and camber from an NACA 0006 to an NACA 4424. In total, 52,480 NACA 4-series OVERFLOW calculations were run on the NASA High-End Compute Capability (HECC) supercomputer. This provides high-order-accurate simulation data covering a wide range of aerospace design applications, which enables users to develop accurate airfoil performance look-up tables without additional high-performance computing. In addition to engineering design and analysis of aerospace vehicles, PALMO is well suited to be a benchmark dataset for the development and testing of machine learning methods in aerospace engineering. This work presents an example PALMO surrogate model that enables accurate airfoil performance predictions for any arbitrary combination of camber, thickness, Mach number, Reynolds number, and angle of attack within the bounds of the database. Airfoil performance tables predicted for an airfoil not used in training the model are used in three-dimensional OVERFLOW simulations to quantify the downstream accuracy on aggregate rotor performance metrics. For the NACA 3415 airfoil, which had no common thickness or camber with the training data, the surrogate predicted and CFD generated tables were within 2.1% of each other in the forward flight lift to drag metric. This suggests that performance tables generated for airfoils within the bounds of the PALMO database will yield aggregate rotor performance predictions on par with tables generated from directly running OVERFLOW airfoil calculations. The PALMO airfoil performance coefficients are available publicly.

Database↗