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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Monte Carlo chord length sampling for d-dimensional Markov binary mixtures

The Chord Length Sampling (CLS) algorithm is a powerful Monte Carlo method that models the effects of stochastic media on particle transport by generating on-the-fly the material interfaces seen by the random walkers during their trajectories. This annealed disorder approach, which formally consists of solving the approximate Levermore–Pomraning equations for linear particle transport, enables a considerable speed-up with respect to transport in quenched disorder, where ensemble-averaging of the Boltzmann equation with respect to all possible realizations is needed. However, CLS intrinsically neglects the correlations induced by the spatial disorder, so that the accuracy of the solutions obtained by using this algorithm must be carefully verified with respect to reference solutions based on quenched disorder realizations. When the disorder is described by Markov mixing statistics, such comparisons have been attempted so far only for one-dimensional geometries, of the rod or slab type. In this work we extend these results to Markov media in two-dimensional (extruded) and three-dimensional geometries, by revisiting the classical set of benchmark configurations originally proposed by Adams, Larsen and Pomraning and extended by Brantley. In particular, we examine the discrepancies between CLS and reference solutions for scalar particle flux and transmission/reflection coefficients as a function of the material properties of the benchmark specifications and of the system dimensionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Incorporating Wind Energy in Power System Restoration Planning

Wind energy is rapidly growing. While wind brings us clean and inexpensive energy, its inherent variability and uncertainty present challenges for the power grid. In particular, employing wind energy for power system restoration is very challenging. A fast and reliable restoration plays a vital role to achieve the self-healing power grid. This paper develops a novel offline restoration planning tool for harnessing wind energy to enhance grid resilience. The Wind-for-Restoration problem is formulated as a stochastic mixed-integer linear programming problem with generated wind energy scenarios. The problem is then decomposed into two stages and solved with the integer Lshaped algorithm. Numerical experiments have been conducted through different case studies using the modified IEEE 57-bus system. The developed tool can provide the scheduled wind power at each restoration time. The impact of wind energy is investigated from the aspects of location and inertia capability, as well as wind penetration, fluctuation, and uncertainty. Moreover, a dynamic response validation tool is developed to validate the results of optimization problem in a dynamic simulation software. Finally, simulation results demonstrate that the optimal wind harnessing strategy can help improve system restoration process and enhance system resilience.

17 WIND ENERGY↗
DOE OSTI2021

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Tensor decompositions for count data that leverage stochastic and deterministic optimization

There is growing interest to extend low-rank matrix decompositions to multi-way arrays, or tensors. One fundamental low-rank tensor decomposition is the canonical polyadic decomposition (CPD). The challenge of fitting a low-rank, nonnegative CPD model to Poisson-distributed count data is of particular interest. Several popular algorithms use local search methods to approximate the maximum likelihood estimator (MLE) of the Poisson CPD model. Here, this work presents two new algorithms that extend state-of-the-art local methods for Poisson CPD. Hybrid GCP-CPAPR combines Generalized Canonical Decomposition (GCP) with stochastic optimization and CP Alternating Poisson Regression (CPAPR), a deterministic algorithm, to increase the probability of converging to the MLE over either method used alone. Restarted CPAPR with SVDrop uses a heuristic based on the singular values of the CPD model unfoldings to identify convergence toward optimizers that are not the MLE and restarts within the feasible domain of the optimization problem, thus reducing overall computational cost when using a multi-start strategy. We provide empirical evidence that indicates our approaches outperform existing methods with respect to converging to the Poisson CPD MLE.

CPAPR↗
DOE OSTI2015

A Scenario Generation Method for Wind Power Ramp Events Forecasting

Wind power ramp events (WPREs) have received increasing attention in recent years due to their significant impact on the reliability of power grid operations. In this paper, a novel WPRE forecasting method is proposed which is able to estimate the probability distributions of three important properties of the WPREs. To do so, a neural network (NN) is first proposed to model the wind power generation (WPG) as a stochastic process so that a number of scenarios of the future WPG can be generated (or predicted). Each possible scenario of the future WPG generated in this manner contains the ramping information, and the distributions of the designated WPRE properties can be stochastically derived based on the possible scenarios. Actual data from a wind power plant in the Bonneville Power Administration (BPA) was selected for testing the proposed ramp forecasting method. Results showed that the proposed method effectively forecasted the probability of ramp events.

17 WIND ENERGY↗
DOE OSTI2019

Scaling methods for accelerating kinetic Monte Carlo simulations of chemical reaction networks

Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. In this work, we present a new acceleration algorithm based on adaptive and heterogeneous scaling of reaction rates and stoichiometric coefficients. The algorithm is conceptually related to the commonly used idea of accelerating a stochastic simulation by considering a subvolume λΩ (0 < λ < 1) within a system of interest, which reduces the number of reaction events per unit time occurring in a simulation by a factor 1/λ at the cost of greater error in unbiased estimates of first moments and biased overestimates of second moments. Our new approach offers two unique benefits. First, scaling is adaptive and heterogeneous, which eliminates the pitfall of overaggressive scaling. Second, there is no need for an a priori classification of populations as discrete or continuous (as in a hybrid method), which is problematic when discreteness of a chemical species changes during a simulation. The method requires specification of only a single algorithmic parameter, N c , a global critical population size above which populations are effectively scaled down to increase simulation efficiency. The method, which we term partial scaling, is implemented in the open-source BioNetGen software package. We demonstrate that partial scaling can significantly accelerate simulations without significant loss of accuracy for several published models of biological systems. Finally, these models characterize activation of the mitogen-activated protein kinase ERK, prion protein aggregation, and T-cell receptor signaling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Reducing Urban Traffic Congestion Using Deep Learning and Model Predictive Control

This article proposes a deep learning (DL)-based control algorithm—DL velocity-based model predictive control (VMPC)—for reducing traffic congestion with slowly time-varying traffic signal controls. This control algorithm consists of system identification using DL and traffic signal control using VMPC. For the training process of DL, we established a modeling error entropy loss as the criteria inspired by the theory of stochastic distribution control (SDC) originated by the fourth author. Herein, simulation results show that the proposed algorithm can reduce traffic congestion with a slowly varying traffic signal control input. Results of an ablation study demonstrate that this algorithm compares favorably to other model-based controllers in terms of prediction error, signal varying speed, and control effectiveness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A fast reconstruction method of the dense point-cloud model for cultural heritage artifacts based on compressed sensing and sparse auto-encoder

Since the point cloud data of cultural heritage artifacts obtained by the laser scanner is enormous and dense, these lead to a large quantity of network resource for storing, processing, and transmission. This paper provided a fast reconstruction method of the dense point cloud model for cultural relics based on sparse auto-encoder and compressed sensing. Firstly, the octree method based on the hash function was utilized to extract local features and remove redundant points. Secondly, the point cloud, which can be seen as the 3D geometric signal, is projected to the discrete Laplacian sparse basis via the point cloud adjacency matrix. Then, aiming at the bottleneck of slow recovery caused by tremendous scale of inverse problem based on compressed sensing theory, the sparse auto-encoder was applied to reduce the dimension and speed up the recovery. Finally, the OMP algorithm was applied to reconstruct 3D point cloud model based on the stochastic Gauss matrix. In order to test the performance of our methods, the 3D point cloud model of terracotta warriors and horses head were used. And the experimental results demonstrated that our approach can obviously accelerate the process of reconstruction of the dense point cloud model for the cultural heritage artifacts and ensure the recovery accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Controlled Nonlinear Stochastic Delay Equations: Part II: Approximations and Pipe-Flow Representations

This is the second part of a work dealing with key issues that have not been addressed in the modeling and numerical optimization of nonlinear stochastic delay systems. We consider new classes of models, such as those with nonlinear functions of several controls (such as products), each with is own delay, controlled random Poisson measure driving terms, admissions control with delayed retrials, and others. Part I was concerned with issues concerning the class of admissible controls and their approximations, since the classical definitions are inadequate for our models. This part is concerned with transportation equation representations and their approximations. Such representations of nonlinear stochastic delay models have been crucial in the development of numerical algorithms with much reduced memory and computational requirements. The representations for the new models are not obvious and are developed. They also provide a template for the adaptation of the Markov chain approximation numerical methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Learning-accelerated discovery of immune-tumour interactions

We present an integrated framework for enabling dynamic exploration of design spaces for cancer immunotherapies with detailed dynamical simulation models on high-performance computing resources. Our framework combines PhysiCell, an open source agent-based simulation platform for cancer and other multicellular systems, and EMEWS, an open source platform for extreme-scale model exploration. We build an agent-based model of immunosurveillance against heterogeneous tumours, which includes spatial dynamics of stochastic tumour–immune contact interactions. We implement active learning and genetic algorithms using high-performance computing workflows to adaptively sample the model parameter space and iteratively discover optimal cancer regression regions within biological and clinical constraints.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Robust unfolding of MeV x-ray spectra from filter stack spectrometer data

Here, we present an inversion method capable of robustly unfolding MeV x-ray spectra from filter stack spectrometer (FSS) data without requiring an a priori specification of a spectral shape or arbitrary termination of the algorithm. Our inversion method is based upon the perturbative minimization (PM) algorithm, which has previously been shown to be capable of unfolding x-ray transmission data, albeit for a limited regime in which the x-ray mass attenuation coefficient of the filter material increases monotonically with x-ray energy. Our inversion method improves upon the PM algorithm through regular smoothing of the candidate spectrum and by adding stochasticity to the search. With these additions, the inversion method does not require a physics model for an initial guess, fitting, or user-selected termination of the search. Instead, the only assumption made by the inversion method is that the x-ray spectrum should be near a smooth curve. Testing with synthetic data shows that the inversion method can successfully recover the primary large-scale features of MeV x-ray spectra, including the number of x-rays in energy bins of several-MeV widths to within 10%. Fine-scale features, however, are more difficult to recover accurately. Examples of unfolding experimental FSS data obtained at the Texas Petawatt Laser Facility and the OMEGA EP laser facility are also presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Stochastic basis adaptation and spatial domain decomposition for partial differential equations with random coefficients

We present a novel approach for high-dimensional stochastic partial differential equations that decomposes the computational domain into smaller disjoint subdomains and reduces the random dimension in each subdomain to save computational costs. The proposed approach combines spatial domain decomposition and stochastic basis adaptation in each subdomain. We adapt the stochastic basis in each subdomain such that the local solution has a low-dimensional random space representation. To compute the stochastic solution in each subdomain, we use the Neumann-Neumann algorithm, where we first estimate the interface solution and then evaluate the interior solution in each subdomain using the interface solution as a boundary condition. The interior solutions in each subdomain are computed independently of each other, which reduces the operation count from $\approx O(N^\alpha)$ to $\approx O(M^\alpha),$ where $N$ is the total number of degrees of freedom, $M$ is the number of degrees of freedom in each subdomain, and the exponent $\alpha>1$ depends on the uncertainty quantification method used. In addition, the localized nature of solutions makes the proposed approach highly parallelizable. We illustrate the accuracy and efficiency of the approach for a steady-state diffusion equation with a random space-dependent diffusion coefficient.

uncertainty quantification, basis adaptation↗
DOE OSTI2024

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗
DOE OSTI2018

Case Study: Nuclear-Renewable-Water Integration in Arizona

This document reports the application of the N-R HES software framework to a case study for Arizona Public Service (APS); the manager and part owner of the Palo Verde (PV) nuclear power plant. The case study is a work in progress of which this report presents a detailed description of the current model input data, assumptions and the corresponding results produced by the developed software framework. The goal of the report is, that with this information APS (together with INL) should be able to identify where more detailed data and more accurate model assumptions are necessary to reproduce all driving physical and economic phenomena in order to capture enough complexity of the reality to allow APS to use the results for their strategic decisions. The N-R HES software framework started being developed at INL two years ago [ref]. The framework has reached some level of maturity so that it can be applied to more than simple demonstration cases, e.g. real industry problems. Nevertheless, more capabilities are constantly added to accommodate the special needs of these challenging real life problems. The N-R HES framework is built on top of the RAVEN code [ref] and uses it as driver and workflow manager for all calculations. The framework has specifically been developed for the economic assessment of N-R HES systems. There are four main cornerstones of the N-R HES simulation framework: 1) generation of stochastic time series, 2) a probabilistic analysis and optimization set of algorithms available in RAVEN, 3) a set of models for representation of the physical behavior of N-R HES, and 4) a RAVEN plug-in that maps physical performance into economic performance called CashFlow. Within this framework, a broad spectrum of questions related to N-R HES can be addressed. One of the challenges currently of high interest is that the increasing penetration of variable renewables is altering the profile of the net demand (demand after removing all non curtailable renewable energy sources), with which the other generators on the grid have to cope. The N-R HES software framework is capable to analyze the potential feasibility of mitigating the resultant volatility in the net electricity demand. One possible solution to that problem currently intensively studied by the energy industry is adding stabilizing loads to the grid. These loads can be external industrial processes that are able to ramp production up and down quickly or adding variable internal loads that will lift the base load of the power plant. The latter is a possible solution currently studied by APS. APS if currently anticipating several challenges that will likely arise in the near future. One of them is, as mentioned, coping with the rapid growth of variable renewable energy (VRE) sources put on the grid. Although APS can sell its electricity for a fixed retail price to cover the local demand first, it also sells electricity in excess of the local demand at the Palo Verde energy hub. Due to the growing VRE penetration, the Palo Verde hub electricity spot price is negative more and more frequently. To mitigate this price volatility, APS is seeking to add more base load, so that the quantity of excess energy to be sold for prices potentially less than the internal retail price or even negative prices at the hub is reduced. A second challenge APS is facing is that their cooling water acquisition contract with the Sub Regional Operating Group (SROG) will expire soon and a renewal can only be done for a significantly higher price of the water. Therefore, APS is also seeking for alternative sources for their cooling water. An opportunity currently under investigation is to pump a limited quantity of brackish water from the regional ground water. Although much cheaper than the water from the new SROG contract, the salinity of the brackish water is so high that a blend of brackish and SROG water would need additional treatment to improve its quality for use in the cooling towers. An on-site reverse osmosis (RO) desalination plant is envisaged to reduce the salinity to an acceptable level. This report investigates the economic impact of such an RO plant. As one can see, the RO plant would help with both problems APS is facing: First, it would rise the APS base load helping to mitigate VRE induced hub price volatility. From this perspective, the RO plant can be seen as a stabilizing load on the grid as would be any other industrial process. Second, the RO’s goods, e.g. the clean water produced can be used by APS itself for a (hopefully) lower cost than 100% SROG water would be. The report will first describe the APS water procurement strategy in detail and lay out the possible alternative scenarios studied in this document. This is covered in Chapter 2. Next, in Chapter 3, the APS case model developed within the N-R HES software framework is described. This chapter includes also a description of the needed framework developments to accommodate the APS study.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Trustworthy Physics-Informed Deep Learning for Predictive Scientific Computing

This project has developed powerful trustworthy physics-informed deep learning (TPiDL) models and methods to fundamentally enhance the scale and power of computational modeling in the scientific and engineering domains. Deep learning (DL) has radically advanced the state-of-the-art in machine learning, computer vision, natural language processing, and also scientific computing. Nevertheless, progress has been driven almost entirely by empirical observations, hacks, and tricks. Under the support of this project, the graph operator learning tools and advanced trustworthy physical informed neural networks have been developed. In addition, stochastic gradient replica-exchange Markov Chain Monte Carlo (MCMC) sampling algorithms have been designed to quantify the uncertainties and speed up the training of large-scale neural networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets

BigNeuron is an open community bench-testing platform with the goal of setting open standards for accurate and fast automatic neuron tracing. We gathered a diverse set of image volumes across several species that is representative of the data obtained in many neuroscience laboratories interested in neuron tracing. Here, we report generated gold standard manual annotations for a subset of the available imaging datasets and quantified tracing quality for 35 automatic tracing algorithms. The goal of generating such a hand-curated diverse dataset is to advance the development of tracing algorithms and enable generalizable benchmarking. Together with image quality features, we pooled the data in an interactive web application that enables users and developers to perform principal component analysis, t-distributed stochastic neighbor embedding, correlation and clustering, visualization of imaging and tracing data, and benchmarking of automatic tracing algorithms in user-defined data subsets. The image quality metrics explain most of the variance in the data, followed by neuromorphological features related to neuron size. Furthermore, we observed that diverse algorithms can provide complementary information to obtain accurate results and developed a method to iteratively combine methods and generate consensus reconstructions. The consensus trees obtained provide estimates of the neuron structure ground truth that typically outperform single algorithms in noisy datasets. However, specific algorithms may outperform the consensus tree strategy in specific imaging conditions. Finally, to aid users in predicting the most accurate automatic tracing results without manual annotations for comparison, we used support vector machine regression to predict reconstruction quality given an image volume and a set of automatic tracings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

An improved target velocity sampling algorithm for free gas elastic scattering

We present an improved algorithm for sampling the target velocity when simulating elastic scattering in a Monte Carlo neutron transport code that correctly accounts for the energy dependence of the scattering cross section. The algorithm samples the relative velocity directly, thereby avoiding a potentially inefficient rejection step based on the ratio of cross sections. Here, we have shown that this algorithm requires only one rejection step, whereas other methods of similar accuracy require two rejection steps. The method was verified against stochastic and deterministic reference results for upscattering percentages in 238 U. Simulations of a light water reactor pin cell problem demonstrate that using this algorithm results in a 3% or less penalty in performance when compared with an approximate method that is used in most production Monte Carlo codes

22 GENERAL STUDIES OF NUCLEAR REACTORS↗