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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

On the size and composition of particles in polar stratospheric clouds

Attenuation measurements of the solar radiation between 1.5 and 15 micron wavelengths were performed with the airborne (DC-8) JPL MARK 4 interferometer during the 1987 Antarctic Expedition. The opacities not only provide information about the abundance of stratospheric gases but also about the optical depths of polar stratospheric clouds (PSCs) at wavelengths of negligible gas absorption (windows). The optical depth of PSCs can be determined for each window once the background attenuation, due to air-molecules and aerosol has been filtered out with a simple extinction law. The ratio of optical thicknesses at different wavelengths reveals information about particle size and particle composition. Among the almost 700 measured spectra only a few PSC cases exist. PSC events are identified by sudden reductions in the spectrally integrated intensity value and are also verified with backscattering data from an upward directed lidar instrument, that was mounted on the DC-8. For the selected case on September 21st at 14.40 GMT, lidar data indicate an optically thin cloud at 18k and later an additional optically thick cloud at 15 km altitude. All results still suffer from: (1) often arbitrary definitions of a clear case, that often already may have contained PSC particles and (2) noise problems that restrict the calculations of optical depths to values larger than 0.001. Once these problems are handled, this instrument may become a valuable tool towards a better understanding of the role PSCs play in the Antarctic stratosphere.

Kinne, Stefan↗
NASA NTRS1987

Neural nets on the MPP

The Massively Parallel Processor (MPP) is an ideal machine for computer experiments with simulated neural nets as well as more general cellular automata. Experiments using the MPP with a formal model neural network are described. The results on problem mapping and computational efficiency apply equally well to the neural nets of Hopfield, Hinton et al., and Geman and Geman.

Hastings, Harold M.↗
NASA NTRS2004

Adaptive Multi-Agent Systems for Constrained Optimization

Product Distribution (PD) theory is a new framework for analyzing and controlling distributed systems. Here we demonstrate its use for distributed stochastic optimization. First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (probability distribution of) the joint state of the agents. When the game in question is a team game with constraints, that equilibrium optimizes the expected value of the team game utility, subject to those constraints. The updating of the Lagrange parameters in the Lagrangian can be viewed as a form of automated annealing, that focuses the MAS more and more on the optimal pure strategy. This provides a simple way to map the solution of any constrained optimization problem onto the equilibrium of a Multi-Agent System (MAS). We present computer experiments involving both the Queen s problem and K-SAT validating the predictions of PD theory and its use for off-the-shelf distributed adaptive optimization.

Macready, William↗
DOE OSTI2025

Fast and Scalable FFT-Based GPU-Accelerated Algorithms for Block-Triangular Toeplitz Matrices with Application to Linear Inverse Problems Governed by Autonomous Dynamical Systems

In this work, we present an efficient and scalable algorithm for performing matrix-vector multiplications (matvecs) for block Toeplitz matrices. Such matrices, which are shift-invariant with respect to their blocks, arise in the context of solving inverse problems governed by autonomous systems, and time-invariant systems in particular. In this article, we consider inverse problems that infer unknown parameters from observational data of a linear time-invariant dynamical system given in the form of partial differential equations (PDEs). Matrix-free Newton-conjugate-gradient methods are often the gold standard for solving these inverse problems, but they require numerous actions of the Hessian on a vector. Matrix-free adjoint-based Hessian matvecs require solution of a pair of linearized forward/adjoint PDE solves per Hessian action, which may be prohibitive for large-scale inverse problems. Time invariance of the forward PDE problem leads to a block Toeplitz structure of the discretized parameter-to-observable (p2o) map defining the mapping from inputs (parameters) to outputs (observables) of the PDEs. This block Toeplitz structure enables us to exploit two key properties: (1) compact storage of the p2o map and its adjoint, and (2) efficient fast Fourier transform–based Hessian matvecs. The proposed algorithm is mapped onto large multi-GPU clusters and achieves more than 80% of peak bandwidth on NVIDIA A100 GPUs. Excellent weak scaling is shown for up to 48 A100 GPUs. For the targeted problems, the implementation executes Hessian matvecs within fractions of a second, which is orders of magnitude faster than can be achieved by conventional matrix-free Hessian matvecs via forward/adjoint PDE solves.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Adaptive, Distributed Control of Constrained Multi-Agent Systems

Product Distribution (PO) theory was recently developed as a broad framework for analyzing and optimizing distributed systems. Here we demonstrate its use for adaptive distributed control of Multi-Agent Systems (MASS), i.e., for distributed stochastic optimization using MAS s. First we review one motivation of PD theory, as the information-theoretic extension of conventional full-rationality game theory to the case of bounded rational agents. In this extension the equilibrium of the game is the optimizer of a Lagrangian of the (Probability dist&&on on the joint state of the agents. When the game in question is a team game with constraints, that equilibrium optimizes the expected value of the team game utility, subject to those constraints. One common way to find that equilibrium is to have each agent run a Reinforcement Learning (E) algorithm. PD theory reveals this to be a particular type of search algorithm for minimizing the Lagrangian. Typically that algorithm i s quite inefficient. A more principled alternative is to use a variant of Newton's method to minimize the Lagrangian. Here we compare this alternative to RL-based search in three sets of computer experiments. These are the N Queen s problem and bin-packing problem from the optimization literature, and the Bar problem from the distributed RL literature. Our results confirm that the PD-theory-based approach outperforms the RL-based scheme in all three domains.

Bieniawski, Stefan↗
DOE OSTI2020

Imaging of a fluid injection process using geophysical data — A didactic example

In many subsurface industrial applications, fluids are injected into or withdrawn from a geologic formation. It is of practical interest to quantify precisely where, when, and by how much the injected fluid alters the state of the subsurface. Routine geophysical monitoring of such processes attempts to image the way that geophysical properties, such as seismic velocities or electrical conductivity, change through time and space and to then make qualitative inferences as to where the injected fluid has migrated. The more rigorous formulation of the time-lapse geophysical inverse problem forecasts how the subsurface evolves during the course of a fluid-injection application. Using time-lapse geophysical signals as the data to be matched, the model unknowns to be estimated are the multiphysics forward-modeling parameters controlling the fluid-injection process. Properly reproducing the geophysical signature of the flow process, subsequent simulations can predict the fluid migration and alteration in the subsurface. The dynamic nature of fluid-injection processes renders imaging problems more complex than conventional geophysical imaging for static targets. This work intents to clarify the related hydrogeophysical parameter estimation concepts.

58 GEOSCIENCES↗
DOE OSTI2026

Using Filter Methods to Guide Convergence for ADMM, with Applications to Nonnegative Matrix Factorization Problems

Nonconvex, nonlinear optimization problems arise naturally in parameter fitting and machine learning. While augmented Lagrangian methods have demonstrated robust convergence for classes of these problems, their convergence for block updates has been relatively unexplored outside of the context of the alternating direction method of multipliers (ADMM). ADMM has seen extensive use in these applications, but may exhibit uncertain convergence behavior in many practical nonconvex settings, and struggles with general nonlinear constraints. In contrast, filter methods have proved effective in enforcing convergence for sequential quadratic programming methods and interior point methods with feasibility criteria. We develop an ADMM-filter method for highly nonlinear and nonconvex problems. Here, we show convergence under mild assumptions for several types of coordinate descent schemes, and demonstrate our algorithm on nonnegative matrix factorization and completion problems in imaging and chemical spectrum analysis.

Nonconvex optimization↗
DOE OSTI2024

Sparse-grid discontinuous Galerkin methods for the Vlasov–Poisson–Lenard–Bernstein model

Sparse-grid methods have recently gained interest in reducing the computational cost of solving high-dimensional kinetic equations. In this paper, we construct adaptive and hybrid sparse-grid methods for the Vlasov–Poisson–Lenard–Bernstein (VPLB) model. This model has applications to plasma physics and is simulated in two reduced geometries: a 0x3v space homogeneous geometry and a 1x3v slab geometry. Here we use the discontinuous Galerkin (DG) method as a base discretization due to its high-order accuracy and ability to preserve important structural properties of partial differential equations. We utilize a multiwavelet basis expansion to determine the sparse-grid basis and the adaptive mesh criteria. We analyze the proposed sparse-grid methods on a suite of three test problems by computing the savings afforded by sparse-grids in comparison to standard solutions of the DG method. The results are obtained using the adaptive sparse-grid discretization library ASGarD.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Hybrid Machine Learning for Scanning Near-Field Optical Spectroscopy

The underlying physics behind an experimental observation often lacks a simple analytical description. This is especially the case for scanning probe microscopy techniques, where the interaction between the probe and the sample is nontrivial. Realistic modeling to include the details of the probe is always exponentially more difficult than its "spherical cow" counterparts. On the other hand, a well-trained artificial neural network based on real data can grasp the hidden correlation between the signal and sample properties. In this work, we show that, via a combination of model calculation and experimental data acquisition, a physics-infused hybrid neural network can predict the tip-sample interaction in the widely used scattering-type scanning near-field optical microscope. This hybrid network provides a long-sought solution for accurate extraction of material properties from tip-specific raw data. The methodology can be extended to other scanning probe microscopy techniques as well as other data-oriented physical problems in general.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Solution of elastic-plastic stress analysis problems by the p-version of the finite element method

The solution of small strain elastic-plastic stress analysis problems by the p-version of the finite element method is discussed. The formulation is based on the deformation theory of plasticity and the displacement method. Practical realization of controlling discretization errors for elastic-plastic problems is the main focus. Numerical examples which include comparisons between the deformation and incremental theories of plasticity under tight control of discretization errors are presented.

Szabo, Barna A.↗
DOE OSTI2022

Thermodynamics-guided alloy and process design for additive manufacturing

In conventional processing, metals go through multiple manufacturing steps including casting, plastic deformation, and heat treatment to achieve the desired property. In additive manufacturing (AM) the same target must be reached in one fabrication process, involving solidification and cyclic remelting. The thermodynamic and kinetic differences between the solid and liquid phases lead to constitutional undercooling, local variations in the solidification interval, and unexpected precipitation of secondary phases. These features may cause many undesired defects, one of which is the so-called hot cracking. The response of the thermodynamic and kinetic nature of these phenomena to high cooling rates provides access to the knowledge-based and tailored design of alloys for AM. Here, we illustrate such an approach by solving the hot cracking problem, using the commercially important IN738LC superalloy as a model material. The same approach could also be applied to adapt other hot-cracking susceptible alloy systems for AM.

36 MATERIALS SCIENCE↗
DOE OSTI2024

ASGarD: Adaptive Sparse Grid Discretization

Many areas of science exhibit physical processes that are described by high dimensional partial differential equations (PDEs), e.g., the 4D, 5D and 6D models describing magnetized fusion plasmas, models describing quantum chemistry, or derivatives pricing. Such problems are affected by the so-called “curse of dimensionality” where the number of degrees of freedom (or unknowns) required to be solved for scales as N D where N is the number of grid points in any given dimension D. A simple, albeit naive, 6D example is demonstrated in the left panel of Figure 1. With N = 1000 grid points in each dimension, the memory required just to store the solution vector, not to mention forming the matrix required to advance such a system in time, would exceed an exabyte - and also the available memory on the largest of supercomputers available today. The right panel of Figure 1 demonstrates potential savings for a range of problem dimensionalities and grid resolution. While there are methods to simulate such high-dimensional systems, they are mostly based on Monte-Carlo methods, which rely on a statistical sampling such that the resulting solutions include noise. Since the noise in such methods can only be reduced at a rate proportional to $\sqrt{N_p}$ where N p is the number of Monte-Carlo samples, there is a need for continuum, or grid/mesh-based methods for high-dimensional problems, which both do not suffer from noise and bypass the curse of dimensionality. We present a simulation framework that provides such a method using adaptive sparse grids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Machine learning and LHC event generation

First-principle simulations are at the heart of the high-energy physics research program. They link the vast data output of multi-purpose detectors with fundamental theory predictions and interpretation. This review illustrates a wide range of applications of modern machine learning to event generation and simulation-based inference, including conceptional developments driven by the specific requirements of particle physics. New ideas and tools developed at the interface of particle physics and machine learning will improve the speed and precision of forward simulations, handle the complexity of collision data, and enhance inference as an inverse simulation problem.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Machine learning to alleviate Hubbard-model sign problems

Lattice Monte Carlo calculations of interacting systems on nonbipartite lattices exhibit an oscillatory imaginary phase known as the phase or sign problem, even at zero chemical potential. One method to alleviate the sign problem is to analytically continue the integration region of the state variables into the complex plane via holomorphic flow equations. For asymptotically large flow times, the state variables approach manifolds of constant imaginary phase known as Lefschetz thimbles. Furthermore, flowing such variables and calculating the ensuing Jacobian is a computationally demanding procedure. In this paper, we demonstrate that neural networks can be trained to parametrize suitable manifolds for this class of sign problem and drastically reduce the computational cost for different severely afflicted small volume systems. In particular, we apply our method to the Hubbard model on the triangle and tetrahedron, both of which are nonbipartite. At strong interaction strengths and modest temperatures, the tetrahedron suffers from a severe sign problem that cannot be overcome with standard reweighting techniques, while it quickly yields to our method. We benchmark our results with exact calculations and comment on future directions of this work.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Semi-Supervised Domain Adaptation for Cross-Survey Galaxy Morphology Classification and Anomaly Detection

In the era of big astronomical surveys, our ability to leverage artificial intelligence algorithms simultaneously for multiple datasets will open new avenues for scientific discovery. Unfortunately, simply training a deep neural network on images from one data domain often leads to very poor performance on any other dataset. Here we develop a Universal Domain Adaptation method DeepAstroUDA, capable of performing semi-supervised domain alignment that can be applied to datasets with different types of class overlap. Extra classes can be present in any of the two datasets, and the method can even be used in the presence of unknown classes. For the first time, we demonstrate the successful use of domain adaptation on two very different observational datasets (from SDSS and DECaLS). We show that our method is capable of bridging the gap between two astronomical surveys, and also performs well for anomaly detection and clustering of unknown data in the unlabeled dataset. We apply our model to two examples of galaxy morphology classification tasks with anomaly detection: 1) classifying spiral and elliptical galaxies with detection of merging galaxies (three classes including one unknown anomaly class); 2) a more granular problem where the classes describe more detailed morphological properties of galaxies, with the detection of gravitational lenses (ten classes including one unknown anomaly class).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Optimization and supervised machine learning methods for fitting numerical physics models without derivatives

Here, we address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based training algorithms when dozens, rather than millions or more, of training data are available and when the expense of the model places limitations on the number of concurrent model evaluations that can be performed. As a case study, we consider the Fayans energy density functional model, which has characteristics similar to many model fitting and calibration problems in nuclear physics. We analyze hyperparameter tuning considerations and variability associated with stochastic optimization algorithms and illustrate considerations for tuning in different computational settings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Vortex breakdown in an axisymmetric flow

The breakdown for both an isolated vortex and a vortex flow in a tube is studied by means of a numerical solution of the axisymmetric Navier-Stokes equations for an unsteady, incompressible, and laminar flow. Results are compared to those of other authors and to experiments. Various numerical solution methods and various physical boundary conditions are used in order to explain the existence of different solutions. The computational results reveal that the existence of different solutions is due to slightly different inflow conditions. The numerical problem for the isolated vortex becomes ill-posed at a certain time for the inflow condition of zero axial gradient of the radial velocity component. Different inflow conditions yield breakdown flowfields containing different features of the experimentally observed breakdown structure.

Menne, Stefan↗
NASA NTRS2017

Reachability Subspace Exploration Using Continuation Methods

Reachability manifold computation suffers from the curse of dimensionality and for large state spaces is computationally intractable. This paper examines the use of continuation methods to address this issue by formulating the reachability sub-space manifold calculation into a number of initial valued problems. As a result of computing the reachability manifold for a subspace of interest, an exponential improvement in computational cost occurs. This concept is applied to a position subspace reachability problem of a spacecraft in a Keplerian orbit under maximum thrust constraints. Future work includes a comparison of the proposed method with computing reachability manifolds using viscosity solutions of the Hamilton Jacobi Bellman partial differential equation.

orbital mechanics↗