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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 73 records · Page 4

Enhancing Interpretability in Generative Modeling: Statistically Disentangled Latent Spaces Guided by Generative Factors in Scientific Datasets

This study addresses the challenge of statistically extracting generative factors from complex, high-dimensional datasets in unsupervised or semi-supervised settings. We investigate encoder-decoder-based generative models for nonlinear dimensionality reduction, focusing on disentangling low-dimensional latent variables corresponding to independent physical factors. Introducing Aux-VAE, a novel architecture within the classical Variational Autoencoder framework, we achieve disentanglement with minimal modifications to the standard VAE loss function by leveraging prior statistical knowledge through auxiliary variables. These variables guide the shaping of the latent space by aligning latent factors with learned auxiliary variables. We validate the efficacy of Aux-VAE through comparative assessments on multiple datasets, including astronomical simulations.

97 MATHEMATICS AND COMPUTING↗

Estimation and Fusion for Tracking Over Long-Haul Links Using Artificial Neural Networks

In a long-haul sensor network, sensors are remotely deployed over a large geographical area to perform certain tasks, such as tracking and/or monitoring of one or more dynamic targets. A remote fusion center fuses the information provided by these sensors so that a final estimate of certain target characteristics – such as the position – is expected to possess much improved quality. In this paper, we pursue learning-based approaches for estimation and fusion of target states in longhaul sensor networks. In particular, we consider learning based on various implementations of artificial neural networks (ANNs). Finally, the joint effect of (i) imperfect communication condition, namely, link-level loss and delay, and (ii) computation constraints, in the form of low-quality sensor estimates, on ANN-based estimation and fusion, is investigated by means of analytical and simulation studies.

97 MATHEMATICS AND COMPUTING↗

Recent Advancements in Electrical Capacitance Mass Gauging for Cryogenic PropellantTanks

The current lack of unsettled mass gauging is a key roadblock for many space activities, such as orbital refueling, missions to the Moon and Mars, and nuclear thermal and nuclear electric propulsion technologies. Liquid can form any one of an infinite number of configurations in microgravity, such as floating in globs or accumulating on tank surfaces in discontiguous volumes, or both. Capacitive sensing requires no moving parts and dissipates close to zero heat, making it an ideal candidate for cryogenic fluid mass gauging in settled and unsettled configurations. Capacitive sensing has a history of proven use in space propellant tanks, including tanks on the space shuttle, Saturn V, and the Apollo Lunar Excursion Module. Modern capacitive sensor technology allows using the entire tank as the capacitor volume by placing electrodes on the tank walls and propellant management surfaces. Capacitance is directly related to density, and therefore to mass for fixed volumes. In this presentation, we discuss the concepts behind whole-tank capacitance mass gauging and associated engineering challenges. We describe recent efforts to develop a micro-g unsettled cryogenic mass gauge using whole-tank capacitance sensing, including the development of test beds, electronics, and algorithms. We describe several mathematical processing techniques, including empirical-based averaging, electrical capacitance volume tomography, and spatial regularization. A modeling study, performed using settled configurations in gravity and no gravity, and with a set of 100 random fluid configurations, has indicated that spatial regularization, in which capacitance measurements are weighted to account for non-uniform electric fields, yields a mass fraction accuracy of 8% for any fluid configuration. Such a sensor is expected to operate in real time with a sampling frequency of at least 1 kHz.

cryogenic↗

Bilevel optimization, deep learning and fractional Laplacian regularization with applications in tomography

Here we consider a generalized bilevel optimization framework for solving inverse problems. We introduce fractional Laplacian as a regularizer to improve the reconstruction quality, and compare it with the total variation regularization. We emphasize that the key advantage of using fractional Laplacian as a regularizer is that it leads to a linear operator, as opposed to the total variation regularization which results in a nonlinear degenerate operator. Inspired by residual neural networks, to learn the optimal strength of regularization and the exponent of fractional Laplacian, we develop a dedicated bilevel optimization neural network with a variable depth for a general regularized inverse problem. We illustrate how to incorporate various regularizer choices into our proposed network. As an example, we consider tomographic reconstruction as a model problem and show an improvement in reconstruction quality, especially for limited data, via fractional Laplacian regularization. We successfully learn the regularization strength and the fractional exponent via our proposed bilevel optimization neural network. We observe that the fractional Laplacian regularization outperforms total variation regularization. This is specially encouraging, and important, in the case of limited and noisy data.

97 MATHEMATICS AND COMPUTING↗

Customizable adaptive regularization techniques for B-spline modeling

B-spline models are a powerful way to represent scientific data sets with a functional approximation. However, these models can suffer from spurious oscillations when the data to be approximated are not uniformly distributed. Model regularization (i.e., smoothing) has traditionally been used to minimize these oscillations; unfortunately, it is sometimes impossible to sufficiently remove unwanted artifacts without smoothing away key features of the data set. In this article, we present a method of model regularization that preserves significant features of a data set while minimizing artificial oscillations. Our method varies the strength of a smoothing parameter throughout the domain automatically, removing artifacts in poorly-constrained regions while leaving other regions unchanged. Further, the proposed method selectively incorporates regularization terms based on first and second derivatives to maintain model accuracy while minimizing numerical artifacts. The behavior of our method is validated on a collection of two- and three-dimensional data sets produced by scientific simulations. In addition, a key tuning parameter is highlighted and the effects of this parameter are presented in detail. This paper is an extension of our previous conference paper at the 2022 International Conference on Computational Science (ICCS) (Lenz et al., 2022).

97 MATHEMATICS AND COMPUTING↗

The Auxiliary Space Preconditioner for the de Rham Complex

Here we generalize the construction and analysis of auxiliary space preconditioners to the $n$-dimensional finite element subcomplex of the de Rham complex. These preconditioners are based on a generalization of a decomposition of Sobolev space functions into a regular part and a potential. A discrete version is easily established using the tools of finite element exterior calculus. We then discuss the four-dimensional de Rham complex in detail. By identifying forms in four dimensions with simple proxies, form operations are written out in terms of familiar algebraic operations on matrices, vectors, and scalars. This provides the basis for our implementation of the preconditioners in four dimensions. Extensive numerical experiments illustrate their performance, practical scalability, and parameter robustness, all in accordance with the theory.

4D↗

Not so HOT Triangulations

Here, we propose primal–dual mesh optimization algorithms that overcome shortcomings of the standard algorithm while retaining some of its desirable features. “Hodge-Optimized Triangulations” defines the “HOT energy” as a bound on the discretization error of the diagonalized Delaunay Hodge star operator. HOT energy is a natural choice for an objective function, but unstable for both mathematical and algorithmic reasons: it has minima for collapsed edges, and its extrapolation to non-regular triangulations is inaccurate and has unbounded minima. We propose a different extrapolation with a stronger theoretical foundation, and avoid extrapolation by recalculating the objective just beyond the flip threshold. We propose new objectives, based on normalizations of the HOT energy, with barriers to edge collapses and other undesirable configurations. We propose mesh improvement algorithms coupling these. When HOT optimization nearly collapses an edge, we actually collapse the edge. Otherwise, we use the barrier objective to update positions and weights and remove vertices. By combining discrete connectivity changes with continuous optimization, we more fully explore the space of possible meshes and obtain higher quality solutions.

97 MATHEMATICS AND COMPUTING↗

Elasticity of a Filament with Kinks

Using the wormlike chain model, we analytically study the elasticity of a filament with kinks. We calculate the position probability density function and the force constant of a kinked filament with a general kink angle. Then, using the mathematical induction, we obtain the positional-orientational probability density function of a filament with regular kinks. For this filament, we compute the force constant in two different directions. In longitudinal direction of the filament, the force constant is proportional to the inverse of the number of the segments, i.e., 1 / m, while in transverse direction, it is proportional to 1/m{sup 3}.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Open Call LDRD: Physically Informed Autoencoders for Galactic Redshift Regression

Physical constraints have been suggested to make neural network models more generalizable, act scientifically plausible, and be more data-efficient over unconstrained baselines. In this report, we present preliminary work on evaluating the effects of adding soft physical constraints to computer vision neural networks trained to estimate the conditional density of redshift on input galaxy images for the Sloan Digital Sky Survey. We introduce physically motivated soft constraint terms that are not implemented with differential or integral operators. We frame this work as a simple ablation study where the effect of including soft physical constraints is compared to an unconstrained baseline. We compare networks using standard point estimate metrics for photometric redshift estimation, as well as metrics to evaluate how faithful our conditional density estimate represents the probability over the ensemble of our test dataset. We find no evidence that the implemented soft physical constraints are more effective regularizers than augmentation.

97 MATHEMATICS AND COMPUTING↗

Meteor velocity distribution and an optimum monitoring mathematical model

At present, there are a great number of radio meteor, ionosphere and rocket observation data for the altitude range of 80 to 100 km which indicate the existence of large scale circulation systems in the mesopause to low thermosphere range which change regularly with season and latitude. But the existing observation network and observation programs are not optimal for revealing the main factors forming the circulation mode at these altitudes. A generalized optimum monitoring mathematical model is offered for consideration. The model input data are distribution density, response function, individual measurement root mean square uncertainty and detection effectiveness function. The model makes it possible to obtain the observation distribution density, the minimal possible dispersion and optimized system effectiveness.

Volkov, N. G.↗

A variational treatment of material configurations with application to interface motion and microstructural evolution

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (Arch. Rat. Mech. Anal., 11, 1962, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. As a result, numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.

36 MATERIALS SCIENCE↗

Ir-Rational Number Institute Report 2017-2018

The 2017 – 2018 Los Alamos National Laboratory Math and Science Academy Ir-Rational Number Institute (IrRNI) six-all-day sessions were held on Northern New Mexico College campus (NNMC) between September 2017 and March 2018. The IrRNI included 7 Northern New Mexico school districts (Bloomfield Public Schools, Cuba Independent Schools, Española Public Schools, Los Alamos Public Schools, Pojoaque Valley School District, Pecos Independent School District and Santa Fe Public Schools) and one Bureau of Indian Education school district, Jemez Day School, located in Jemez Pueblo. Twenty-nine teachers of mathematics, kindergarten through eighth grade, 2 principals, 1 STEM Coordinator, and 1 New Mexico Public Education Math and Science Bureau staffer* attended regularly and were eligible for a Certificate of Completion or Certificate of Engagement on the last day of instruction ( 20 participants were new to the IrRNI and 13 were returnees from the previous year or the MSA Summer Institute).

97 MATHEMATICS AND COMPUTING↗

Numerical Solution of the Inverse Scattering Problem for the Acoustic Equation in an Absorptive Layered Medium

We consider a nonlinear ordinary differential equation associated with a number of inverse scattering problems in acoustic and seismic sounding in which acoustic impedance and an impedance-dependent unknown damping coefficient are the unknown function. We prove that the Cauchy problem is uniquely solvable when the derivative is treated as a generalized function. It is established that the inverse scattering problem in a layered dissipative medium simultaneously determines the acoustic impedance and the damping coefficient. A regularized numerical algorithm is proposed and numerical results are reported.

97 MATHEMATICS AND COMPUTING↗

The Kostrikin Radical and Similar Radicals of Lie Algebras

The existing notion of the Kostrikin radical as a radical in the Kurosh–Amitsur sense on classes of Mal’tsev algebras over rings with 1/6 is not completely justified. More precisely, to the fullest extent it is true for classes of Lie algebras over fields of characteristic zero and, as shown in the given paper, classes of algebraic Lie algebras of degree not greater than n over rings with 1/n! at all n ≥ 1. Similar conclusions are obtained in the paper also for the Jordan, regular, and extremal radicals constructed analogously to the Kostrikin radical.

97 MATHEMATICS AND COMPUTING↗

Where did the tumor start? An inverse solver with sparse localization for tumor growth models

In this work, we present a numerical scheme for solving an inverse problem for parameter estimation in tumor growth models for glioblastomas, a form of aggressive primary brain tumor. The growth model is a reaction–diffusion partial differential equation (PDE) for the tumor concentration. We use a PDE-constrained optimization formulation for the inverse problem. The unknown parameters are the reaction coefficient (proliferation), the diffusion coefficient (infiltration), and the initial condition field for the tumor PDE. Segmentation of magnetic resonance imaging (MRI) scans drive the inverse problem where segmented tumor regions serve as partial observations of the tumor concentration. Like most cases in clinical practice, we use data from a single time snapshot. Moreover, the precise time relative to the initiation of the tumor is unknown, which poses an additional difficulty for inversion. We perform a frozen-coefficient spectral analysis and show that the inverse problem is severely ill-posed. We introduce a biophysically motivated regularization on the structure and magnitude of the tumor initial condition. In particular, we assume that the tumor starts at a few locations (enforced with a sparsity constraint on the initial condition of the tumor) and that the initial condition magnitude in the maximum norm is equal to one. We solve the resulting optimization problem using an inexact quasi-Newton method combined with a compressive sampling algorithm for the sparsity constraint. Our implementation uses PETSc and AccFFT libraries. We conduct numerical experiments on synthetic and clinical images to highlight the improved performance of our solver over a previously existing solver that uses standard two-norm regularization for the calibration parameters. The existing solver is unable to localize the initial condition. Our new solver can localize the initial condition and recover infiltration and proliferation. In clinical datasets (for which the ground truth is unknown), our solver results in qualitatively different solutions compared to the two-norm regularized solver.

97 MATHEMATICS AND COMPUTING↗