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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

An Evolve-Filter-Relax Stabilized Reduced Order Stochastic Collocation Method for the Time-Dependent Navier--Stokes Equations

In this paper, we propose a filter-based stabilization of reduced order models (ROMs) for uncertainty quantification (UQ) of the time-dependent Navier--Stokes equations in convection-dominated regimes. Here we propose a novel high-order ROM differential filter and use it in conjunction with an evolve-filter-relax (EFR) algorithm to attenuate the numerical oscillations of standard ROMs. We also examine how stochastic collocation methods can be combined with the EFR algorithm for efficient UQ of fluid flows. We test the new framework in the numerical simulation of a two-dimensional flow past a circular cylinder with a random viscosity that yields a random Reynolds number with mean Re = 100.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Random search optimization based on genetic algorithm and discriminant function

The general problem of optimization with arbitrary merit and constraint functions, which could be convex, concave, monotonic, or non-monotonic, is treated using stochastic methods. To improve the efficiency of the random search methods, a genetic algorithm for the search phase and a discriminant function for the constraint-control phase were utilized. The validity of the technique is demonstrated by comparing the results to published test problem results. Numerical experimentation indicated that for cases where a quick near optimum solution is desired, a general, user-friendly optimization code can be developed without serious penalties in both total computer time and accuracy.

Kiciman, M. O.↗
NASA NTRS1973

A constrained discrete optimal guidance strategy for low-thrust space flight

A low-thrust guidance algorithm suitable for operational use is formulated. Using linear stochastic control theory, a linear feedback control law is obtained for a minimum terminal miss performance criterion. The control variables are restricted to constant values over specified time intervals and are explicitly limited. Both fixed and variable time-of-arrival guidance are considered. Guidance equations are presented in deterministic (operational) and in statistical form; and computational procedures necessary for implementation are outlined. The performance of the guidance algorithm is evaluated by applying it to the approach phase of the 1980 rendezvous mission with the comet Encke.

Jacobson, R. A.↗
DOE OSTI2025

Uncontrolled Learning: Codesign of Neuromorphic Hardware Topology for Neuromorphic Algorithms

Neuromorphic computing has the potential to revolutionize future technologies and our understanding of intelligence, yet it remains challenging to realize in practice. The learning-from-mistakes algorithm, inspired by the brain's simple learning rules of inhibition and pruning, is one of the few brain-like training methods. This algorithm is implemented in neuromorphic memristive hardware through a codesign process that evaluates essential hardware trade-offs. While the algorithm effectively trains small networks as binary classifiers and perceptrons, performance declines significantly with increasing network size unless the hardware is tailored to the algorithm. This work investigates the trade-offs between depth, controllability, and capacity—the number of learnable patterns—in neuromorphic hardware. This highlights the importance of topology and governing equations, providing theoretical tools to evaluate a device's computational capacity based on its measurements and circuit structure. The findings show that breaking neural network symmetry enhances both controllability and capacity. Additionally, by pruning the circuit, neuromorphic algorithms in all-memristive circuits can utilize stochastic resources to create local contrasts in network weights. Through combined experimental and simulation efforts, the parameters are identified that enable networks to exhibit emergent intelligence from simple rules, advancing the potential of neuromorphic computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Design of Organic Structure Directing Agents for Chiral Zeolite Beta A

In this work, we have designed chiral organic structure directing agents (OSDAs) to direct the formation of enantiomerically enriched zeolite BEA. The in silico design was a combination of a multi-objective scoring function with exhaustive and stochastic virtual combinatorial chemistry and de novo design algorithms. Importantly, the algorithms used directly consider the synthetic accessibility of the designed OSDAs. We have identified 175 putative OSDAs of which one enantiomer has a low stabilization energy in the P4 1 22 enantiomorph of zeolite BEA and the mirror image enantiomer has a significantly less favorable stabilization energy. In addition, 42 of the designed compounds have a significantly less favorable stabilization energy in the competing BEB zeolite. Enantiomerically pure zeolite BEA is of interest for stereoselective separation and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Hedging direct simulation Monte Carlo bets via event splitting

We propose a new scheme for simulation of collisions with multiple possible outcomes in variable-weight DSMC computations. The scheme is applied to a 0-D ionization rate coefficient computation, and 1-D electrical breakdown simulation. We show that the scheme offers a significant (up to an order of magnitude) improvement in the level of stochastic noise over the usual acceptance-rejection algorithm, even when controlling for the slight additional computational costs. Furthermore, the benefits and performance of the scheme are analyzed in detail, and possible extensions are proposed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Training neural networks using Metropolis Monte Carlo and an adaptive variant

Abstract We examine the zero-temperature Metropolis Monte Carlo (MC) algorithm as a tool for training a neural network by minimizing a loss function. We find that, as expected on theoretical grounds and shown empirically by other authors, Metropolis MC can train a neural net with an accuracy comparable to that of gradient descent (GD), if not necessarily as quickly. The Metropolis algorithm does not fail automatically when the number of parameters of a neural network is large. It can fail when a neural network’s structure or neuron activations are strongly heterogenous, and we introduce an adaptive Monte Carlo algorithm (aMC) to overcome these limitations. The intrinsic stochasticity and numerical stability of the MC method allow aMC to train deep neural networks and recurrent neural networks in which the gradient is too small or too large to allow training by GD. MC methods offer a complement to gradient-based methods for training neural networks, allowing access to a distinct set of network architectures and principles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Narrowing Frequency Probability Density Function for Achieving Minimized Uncertainties in Power Systems Operation – a Stochastic Distribution Control Perspective

With the increased penetration of renewables and other distributed energy resources (DERs), the frequency response in power systems exhibits stochastic nature, where the standard deterministic swing equation should be either represented or transferred into an Ito stochastic differential equation whose solution should be the non-stationary transient behavior of the probability density function (PDF) of the frequency. This transfers the frequency quality control for power systems into a stochastic distribution control problem, where the shape of the frequency distribution, namely the frequency PDF, needs to be directly controlled. In this context, this requires the development of control strategies via controlling the power balance so that the PDF of the frequency is made as narrow as possible whilst centered at its required mean value simple because such a sharp distribution shape means less uncertainties or randomness for the frequency response. In this paper, the formulation of the stochastic swing equation will be made first taking into account of DERs. This will then be followed by the development of stochastic distribution control model that links the power sources with the PDF of the frequency using Fokker Planck Kolmogorov (FPK) equations. A generic constrained optimization problem will be formulated where the cost function is composed of a functional distance between the actual and the desired PDFs of the frequency. A feasible solution using B-spine Neural Networks based stochastic distribution control model will be described. Using the obtained stochastic distribution control model, a set of control algorithms will be described that uses available power sources to shape the PDF of the frequency or to minimize the randomness of the frequency via minimized entropy approach. Future directions will be discussed in the later part of the paper

Swing equation, Power Systems, stchastic distribut↗
NASA NTRS1972

Control system estimation and design for aerospace vehicles with time delay

The problems of estimation and control of discrete, linear, time-varying systems are considered. Previous solutions to these problems involved either approximate techniques, open-loop control solutions, or results which required excessive computation. The estimation problem is solved by two different methods, both of which yield the identical algorithm for determining the optimal filter. The partitioned results achieve a substantial reduction in computation time and storage requirements over the expanded solution, however. The results reduce to the Kalman filter when no delays are present in the system. The control problem is also solved by two different methods, both of which yield identical algorithms for determining the optimal control gains. The stochastic control is shown to be identical to the deterministic control, thus extending the separation principle to time delay systems. The results obtained reduce to the familiar optimal control solution when no time delays are present in the system.

Allgaier, G. R.↗
NASA NTRS1981

Pulse control of single degree-of-freedom system

The possibility of using active control for structural and mechanical systems is examined. Open loop adaptive control of structural systems subjected to deterministic and stochastic excitations is considered by means of an algorithm for a single-degree-of-freedom oscillator. The algorithm is heuristic and requires continuous monitoring of the state variables, with a pulse control applied when some prespecified level of control is exceeded. The control algorithm is based on the principle that the gradual rhythmic increase of the structural response can be eliminated by applying a pulse of suitable magnitude in the proper direction, thereby avoiding the application of large forces over sustained periods of time. The optimum pulse magnitude is determined as the minimum rms response of the system. Application to linear and nonlinear systems, as well as in chatter suppression, are outlined.

Udwadia, F. E.↗
NASA NTRS2005

Team 2: AIRS Only Retrieval

This slide presentation makes the case for the retrieval of data from the Atmospheric Infrared Sounder (AIRS) Advanced Microwave Sounding Unit (AMSU). AIRS only retrieval is not only a risk reduction for failure of AMSU, but also important because NWP centers are reluctant to assimilate AMSU twice.

cloudy regression↗
NASA NTRS1990

Global optimization methods for engineering design

The problem is to find a global minimum for the Problem P. Necessary and sufficient conditions are available for local optimality. However, global solution can be assured only under the assumption of convexity of the problem. If the constraint set S is compact and the cost function is continuous on it, existence of a global minimum is guaranteed. However, in view of the fact that no global optimality conditions are available, a global solution can be found only by an exhaustive search to satisfy Inequality. The exhaustive search can be organized in such a way that the entire design space need not be searched for the solution. This way the computational burden is reduced somewhat. It is concluded that zooming algorithm for global optimizations appears to be a good alternative to stochastic methods. More testing is needed; a general, robust, and efficient local minimizer is required. IDESIGN was used in all numerical calculations which is based on a sequential quadratic programming algorithm, and since feasible set keeps on shrinking, a good algorithm to find an initial feasible point is required. Such algorithms need to be developed and evaluated.

Arora, Jasbir S.↗
DOE OSTI2019

A general framework for quantitatively assessing ecological stochasticity

Understanding the community assembly mechanisms controlling biodiversity patterns is a central issue in ecology. Although it is generally accepted that both deterministic and stochastic processes play important roles in community assembly, quantifying their relative importance is challenging. Here we propose a general mathematical framework to quantify ecological stochasticity under different situations in which deterministic factors drive the communities more similar or dissimilar than null expectation. An index, normalized stochasticity ratio ( NST ), was developed with 50% as the boundary point between more deterministic (<50%) and more stochastic (>50%) assembly. NST was tested with simulated communities by considering abiotic filtering, competition, environmental noise, and spatial scales. All tested approaches showed limited performance at large spatial scales or under very high environmental noise. However, in all of the other simulated scenarios, NST showed high accuracy (0.90 to 1.00) and precision (0.91 to 0.99), with averages of 0.37 higher accuracy (0.1 to 0.7) and 0.33 higher precision (0.0 to 1.8) than previous approaches. NST was also applied to estimate stochasticity in the succession of a groundwater microbial community in response to organic carbon (vegetable oil) injection. Our results showed that community assembly was shifted from more deterministic ( NST = 21%) to more stochastic ( NST = 70%) right after organic carbon input. As the vegetable oil was consumed, the community gradually returned to be more deterministic ( NST = 27%). In addition, our results demonstrated that null model algorithms and community similarity metrics had strong effects on quantifying ecological stochasticity.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Learning in stochastic neural networks for constraint satisfaction problems

Researchers describe a newly-developed artificial neural network algorithm for solving constraint satisfaction problems (CSPs) which includes a learning component that can significantly improve the performance of the network from run to run. The network, referred to as the Guarded Discrete Stochastic (GDS) network, is based on the discrete Hopfield network but differs from it primarily in that auxiliary networks (guards) are asymmetrically coupled to the main network to enforce certain types of constraints. Although the presence of asymmetric connections implies that the network may not converge, it was found that, for certain classes of problems, the network often quickly converges to find satisfactory solutions when they exist. The network can run efficiently on serial machines and can find solutions to very large problems (e.g., N-queens for N as large as 1024). One advantage of the network architecture is that network connection strengths need not be instantiated when the network is established: they are needed only when a participating neural element transitions from off to on. They have exploited this feature to devise a learning algorithm, based on consistency techniques for discrete CSPs, that updates the network biases and connection strengths and thus improves the network performance.

Johnston, Mark D.↗
DOE OSTI2021

Variational design principles for nonequilibrium colloidal assembly

Using large deviation theory and principles of stochastic optimal control, we show that rare molecular dynamics trajectories conditioned on assembling a specific target structure encode a set of interactions and external forces that lead to enhanced stability of that structure. Such a relationship can be formulated into a variational principle, for which we have developed an associated optimization algorithm and have used it to determine optimal forces for targeted self-assembly within nonequilibrium steady-states. We illustrate this perspective on inverse design in a model of colloidal cluster assembly within linear shear flow. We find that colloidal clusters can be assembled with high yield using specific short-range interactions of tunable complexity. Shear decreases the yields of rigid clusters, while small values of shear increase the yields of nonrigid clusters. The enhancement or suppression of the yield due to shear is rationalized with a generalized linear response theory. Furthermore, by studying 21 unique clusters made of six, seven, or eight particles, we uncover basic design principles for targeted assembly out of equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Scalable Techniques for Stochastic Power Flow Problems (Final Report)

The proposed research focuses on developing scalable algorithms for two-stage security-constrained OPF problems with AC power flow constraints, a class of problems complicated by (i) scale arising from a scenario representation; and (ii) the presence of nonlinearity, nonconvexity, and possibly second-stage discreteness or complementarity. Unfortunately, most existing solvers cannot contend with both challenges simultaneously; accordingly, the proposed research focuses on developing solution techniques that can both scale with the number of scenarios and contend with nonconvexity and second-stage complementarity. We consider three avenues for addressing such problems: (i) Variable sample-size SQP (VS-SQP) methods that combine sparse Quasi-Newton updates with a scalable variance-reduced stochastic gradient scheme for stochastic QP subproblems, allowing for contending with second-stage complementarity via regularization; (ii) Variable sample-size stochastic Interior-point (VS-sIP) schemes that propose a sampling-based regularized (to allow for contending with complementarity) interior-point schemes in which a Schur-complement technique is employed for decomposing the Newton direction computation step; (iii) Variable sample-size tractable ADMM (VS-tADMM) schemes combine variable sample-sizes with carefully designed techniques for resolving each of the nonconvex updates (by leveraging the QCQP structures). We intend to compare the three schemes using performance profiles in terms of solution quality, scalability, etc. and then select one scheme which will then be developed and further refined in Python for purposes of the GO competition.

42 ENGINEERING↗
DOE OSTI2021

Hybrid Simulation Framework

HYBRID is a modeling toolset to assess the economic viability of Nuclear-Renewable Integrated Energy Systems (N-R IES). The frameworks enabling this toolset are INL’s RAVEN, its CashFlow plugin and the Modelica language. The toolset includes sample RAVEN workflows performing economic assessments. These workflows consist of: generation of stochastic time series and application of probabilistic analysis and optimization algorithms (RAVEN); a library of Modelica models representing the physical behavior of N-R IES; and the CashFlow plugin mapping physical performance to economic performance. The toolset allows assembling existing and new models such as nuclear reactors, renewable energy sources, energy storage, gas turbines, industrial processes, etc. into an N-R IES. The toolset workflows evaluate the dynamics of the N-R IES responding to stochastic conditions (electricity demand, price, etc.) and optimize the dispatch economics as well as N-R IES capacity planning.

Epiney, Aaron↗
NASA NTRS2018

Computational Model Prediction and Biological Validation Using Simplified Mixed Field Exposures for the Development of a GCR Reference Field

The yield of chromosomal aberrations has been shown to increase in the lymphocytes of astronauts after long-duration missions of several months in space. Chromosome exchanges, especially translocations, are positively correlated with many cancers and are therefore a potential biomarker of cancer risk associated with radiation exposure. Although extensive studies have been carried out on the induction of chromosomal aberrations by low- and high-LET radiation in human lymphocytes, fibroblasts, and epithelial cells exposed in vitro, there is a lack of data on chromosome aberrations induced by low dose-rate chronic exposure and mixed field beams such as those expected in space. Chromosome aberration studies at NSRL will provide the biological validation needed to extend the computational models over a broader range of experimental conditions (more complicated mixed fields leading up to the galactic cosmic rays (GCR) simulator), helping to reduce uncertainties in radiation quality effects and dose-rate dependence in cancer risk models. These models can then be used to answer some of the open questions regarding requirements for a full GCR reference field, including particle type and number, energy, dose rate, and delivery order. In this study, we designed a simplified mixed field beam with a combination of proton, helium, oxygen, and iron ions with shielding or proton, helium, oxygen, and titanium without shielding. Human fibroblasts cells were irradiated with these mixed field beam as well as each single beam with acute and chronic dose rate, and chromosome aberrations (CA) were measured with 3-color fluorescent in situ hybridization (FISH) chromosome painting methods. Frequency and type of CA induced with acute dose rate and chronic dose rates with single and mixed field beam will be discussed. A computational chromosome and radiation-induced DNA damage model, BDSTRACKS (Biological Damage by Stochastic Tracks), was updated to simulate various types of CA induced by acute exposures of the mixed field beams used for the experiments. The chromosomes were simulated by a polymer random walk algorithm with restrictions to their respective domains in the nucleus [1]. The stochastic dose to the nucleus was calculated with the code RITRACKS [2]. Irradiation of a target volume by a mixed field of ions was implemented within RITRACKs, and the fields of ions can be delivered over specific periods of time, allowing the simulation of dose-rate effects. Similarly, particles of various types and energies extracted from a pre-calculated spectra of galactic cosmic rays (GCR) can be used in RITRACKS. The number and spatial location of DSBs (DNA double-strand breaks) were calculated in BDSTRACKS using the simulated chromosomes and local (voxel) dose. Assuming that DSBs led to chromosome breaks, and simulating the rejoining of damaged chromosomes occurring during repair, BDSTRACKS produces the yield of various types of chromosome aberrations as a function of time (only final yields are presented). A comparison between experimental and simulation results will be shown.

Hada, M.↗