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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Advanced Control Algorithms for Compensating the Phase Distortion Due to Transport Delay in Human-Machine Systems

The desire to create more complex visual scenes in modern flight simulators outpaces recent increases in processor speed. As a result, simulation transport delay remains a problem. New approaches for compensating the transport delay in a flight simulator have been developed and are presented in this report. The lead/lag filter, the McFarland compensator and the Sobiski/Cardullo state space filter are three prominent compensators. The lead/lag filter provides some phase lead, while introducing significant gain distortion in the same frequency interval. The McFarland predictor can compensate for much longer delay and cause smaller gain error in low frequencies than the lead/lag filter, but the gain distortion beyond the design frequency interval is still significant, and it also causes large spikes in prediction. Though, theoretically, the Sobiski/Cardullo predictor, a state space filter, can compensate the longest delay with the least gain distortion among the three, it has remained in laboratory use due to several limitations. The first novel compensator is an adaptive predictor that makes use of the Kalman filter algorithm in a unique manner. In this manner the predictor can accurately provide the desired amount of prediction, while significantly reducing the large spikes caused by the McFarland predictor. Among several simplified online adaptive predictors, this report illustrates mathematically why the stochastic approximation algorithm achieves the best compensation results. A second novel approach employed a reference aircraft dynamics model to implement a state space predictor on a flight simulator. The practical implementation formed the filter state vector from the operator s control input and the aircraft states. The relationship between the reference model and the compensator performance was investigated in great detail, and the best performing reference model was selected for implementation in the final tests. Theoretical analyses of data from offline simulations with time delay compensation show that both novel predictors effectively suppress the large spikes caused by the McFarland compensator. The phase errors of the three predictors are not significant. The adaptive predictor yields greater gain errors than the McFarland predictor for short delays (96 and 138 ms), but shows smaller errors for long delays (186 and 282 ms). The advantage of the adaptive predictor becomes more obvious for a longer time delay. Conversely, the state space predictor results in substantially smaller gain error than the other two predictors for all four delay cases.

Guo, Liwen↗
DOE OSTI2025

DONKEY: A Flexible and Accurate Algorithm for Clustering

We propose an accurate clustering algorithm suitable for the varied and multidimensional data sets that correspond to temporal snapshots from on-the-fly nonadiabatic trajectory-based simulations of photoexcited dynamics. The algorithm approximates the underlying probability density function using variable kernel density estimation, with local maxima corresponding to cluster centers. Each data point is then assigned to one of the maxima by employing a maximization procedure. Finally, clusters artificially separated by minor fluctuations in the probability density are merged. The algorithm does not require parameter tuning, which ensures flexibility and reduces the risk of bias. It is tested on several synthetic data sets, where it consistently outperforms conventional clustering algorithms. As a final example, the algorithm is applied to the excited dynamics of the norbornadiene ⇌ quadricyclane (C 7 H 8 ) molecular photoswitch, demonstrating how distinct reaction pathways can be identified.

algorithms↗
DOE OSTI2021

Scaling Out a Combinatorial Algorithm for Discovering Carcinogenic Gene Combinations to Thousands of GPUs

Cancer is a leading cause of death in the US, second only to heart disease. It is primarily a result of a combination of an estimated two-nine genetic mutations (multi-hit combinations). Although a body of research has identified hundreds of cancer-causing genetic mutations, we don’t know the specific combination of mutations responsible for specific instances of cancer for most cancer types. An approximate algorithm for solving the weighted set cover problem was previously adapted to identify combinations of genes with mutations that may be responsible for individual instances of cancer. However, the algorithm’s computational requirement scales exponentially with the number of genes, making it impractical for identifying more than three-hit combinations, even after the algorithm was parallelized and scaled up to a V100 GPU. Since most cancers have been estimated to require more than three hits, we scaled out the algorithm to identify combinations of four or more hits using 1000 nodes (6000 V100 GPUs with ≈48×106 processing cores) on the Summit supercomputer at Oak Ridge National Laboratory. Efficiently scaling out the algorithm required a series of algorithmic innovations and optimizations for balancing an exponentially divergent workload across processors and for minimizing memory latency and inter-node communication. We achieved an average strong scaling efficiency of 90.14% (80.96%–97.96% for 200 to 1000 nodes), compared to a 100 node run, with 84.18% scaling efficiency for 1000 nodes. With experimental validation, the multi-hit combinations identified here could provide further insight into the etiology of different cancer subtypes and provide a rational basis for targeted combination therapy.

Dash, Sajal↗
NASA NTRS1987

Fronts propagating with curvature dependent speed: Algorithms based on Hamilton-Jacobi formulations

New numerical algorithms are devised (PSC algorithms) for following fronts propagating with curvature-dependent speed. The speed may be an arbitrary function of curvature, and the front can also be passively advected by an underlying flow. These algorithms approximate the equations of motion, which resemble Hamilton-Jacobi equations with parabolic right-hand-sides, by using techniques from the hyperbolic conservation laws. Non-oscillatory schemes of various orders of accuracy are used to solve the equations, providing methods that accurately capture the formation of sharp gradients and cusps in the moving fronts. The algorithms handle topological merging and breaking naturally, work in any number of space dimensions, and do not require that the moving surface be written as a function. The methods can be used also for more general Hamilton-Jacobi-type problems. The algorithms are demonstrated by computing the solution to a variety of surface motion problems.

Osher, Stanley↗
DOE OSTI2026

A Structure-Preserving Decorated Particle Method for the Vlasov-Poisson System

We revisit the Scovel-Weinstein framework (Scovel & Weinstein, CPAM 1994) for reducing the Vlasov-Poisson system while preserving its Hamiltonian structure. Standard particle-in-cell (PIC) algorithms approximate the distribution function by macro-particles with position and velocity. In contrast, Scovel-Weinstein decorated particles involve additional shape degrees of freedom, while maintaining a finite-dimensional reduction with Hamiltonian structure inherited from the continuum model. Although the original work established this structure three decades ago, its computational potential has remained largely unexplored. We present a practical implementation of the Scovel-Weinstein model and compare it with a standard PIC algorithm. Numerical experiments demonstrate that macro-particles in standard PIC can be replaced by far fewer decorated particles while retaining comparable accuracy. This decorated particle approach offers a new structure-preserving paradigm for kinetic plasma simulation.

65M75, 70H05, 70G65↗
NASA NTRS1981

Incorporating spatial context into statistical classification of multidimensional image data

Compound decision theory is employed to develop a general statistical model for classifying image data using spatial context. The classification algorithm developed from this model exploits the tendency of certain ground-cover classes to occur more frequently in some spatial contexts than in others. A key input to this contextural classifier is a quantitative characterization of this tendency: the context function. Several methods for estimating the context function are explored, and two complementary methods are recommended. The contextural classifier is shown to produce substantial improvements in classification accuracy compared to the accuracy produced by a non-contextural uniform-priors maximum likelihood classifier when these methods of estimating the context function are used. An approximate algorithm, which cuts computational requirements by over one-half, is presented. The search for an optimal implementation is furthered by an exploration of the relative merits of using spectral classes or information classes for classification and/or context function estimation.

Bauer, M. E.↗
DOE OSTI2018

Beyond Relaxation and Newton–Raphson: Solving AC OPF for Multi-Phase Systems With Renewables

This paper focuses on the AC Optimal Power Flow (OPF) problem for multi-phase systems. Particular emphasis is given to systems with high integration of renewables, where adjustments of the real and reactive output powers from renewable sources of energy are necessary in order to enforce voltage regulation. The AC OPF problem is known to be nonconvex (and, in fact, NP-hard). Convex relaxation techniques have been recently explored to solve the OPF task with reduced computational burden; however, sufficient conditions for tightness of these relaxations are only available for restricted classes of system topologies and problem setups. Identifying feasible power-flow solutions remains hard in more general problem formulations, especially in unbalanced multi-phase systems with renewables. To identify feasible and optimal AC OPF solutions in challenging scenarios where existing methods may fail, this paper leverages the Feasible Point Pursuit - Successive Convex Approximation algorithm - a powerful approach for general nonconvex quadratically constrained quadratic programs. The merits of the approach are illustrated using single- and multiphase distribution networks with renewables, as well as several transmission systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1982

Study of sensor spectral responses and data processing algorithms and architectures for onboard feature identification

A computational model of the deterministic and stochastic processes involved in remote sensing is used to study spectral feature identification techniques for real-time onboard processing of data acquired with advanced earth-resources sensors. Preliminary results indicate that: Narrow spectral responses are advantageous; signal normalization improves mean-square distance (MSD) classification accuracy but tends to degrade maximum-likelihood (MLH) classification accuracy; and MSD classification of normalized signals performs better than the computationally more complex MLH classification when imaging conditions change appreciably from those conditions during which reference data were acquired. The results also indicate that autonomous categorization of TM signals into vegetation, bare land, water, snow and clouds can be accomplished with adequate reliability for many applications over a reasonably wide range of imaging conditions. However, further analysis is required to develop computationally efficient boundary approximation algorithms for such categorization.

Huck, F. O.↗
DOE OSTI2023

AMG Preconditioners based on parallel hybrid coarsening and multi-objective graph matching

We describe preliminary results from a multi-objective graph matching algorithm, in the coarsening step of an aggregation-based Algebraic MultiGrid (AMG) preconditioner, for solving large and sparse linear systems of equations on high-end parallel computers. We have two objectives. First, we wish to improve the convergence behavior of the AMG method when applied to highly anisotropic problems. Second, we wish to extend the parallel package \texttt{PSCToolkit} to exploit multi-threaded parallelism at the node level on multi-core processors. Our matching proposal balances the need to simultaneously compute high weights and large cardinalities by a new formulation of the weighted matching problem combining both these objectives using a parameter $\lambda$. We compute the matching by a parallel $2/3-\varepsilon$-approximation algorithm for maximum weight matchings. Results with the new matching algorithm show that for a suitable choice of the parameter $\lambda$ we compute effective preconditioners in the presence of anisotropy, i.e., smaller solve times, setup times, iterations counts, and operator complexity.

D'Ambra, Pasqua↗
DOE OSTI2019

Advising Big Data Transfer Over Dedicated Connections Based on Profiling Optimization

Big data transfer in next-generation scientific applications is currently commonly carried out over dedicated channels in high-performance networks (HPNs), where transport protocols play a critical role in maximizing application-level throughput. Optimizing the performance of these protocols is challenging: i) transport protocols perform differently in various network environments, and the protocol choice is not straightforward; ii) even for a given protocol in a given environment, different parameter settings of the protocol may lead to significantly different performance and oftentimes the default setting does not yield the best performance. However, it is prohibitively time-consuming to conduct exhaustive transport profiling due to the large parameter space. In this paper, we propose a PRofiling Optimization Based DAta Transfer Advisor (ProbData) to help end users determine the most effective transport method with the most appropriate parameter settings to achieve satisfactory performance for big data transfer over dedicated connections in HPNs. ProbData employs a fast profiling scheme based on the Simultaneous Perturbation Stochastic Approximation algorithm, namely, FastProf, to accelerate the exploration of the optimal operational zones of various transport methods to improve profiling efficiency. We first present a theoretical background of the optimized profiling approach in ProbData and then detail its design and implementation. The advising procedure and performance benefits of FastProf and ProbData are illustrated and evaluated by both extensive emulations based on real-life performance measurements and experiments over various physical connections in existing production HPNs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

An efficient explicit implementation of a near-optimal quantum algorithm for simulating linear dissipative differential equations

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator as a weighted sum of Hamiltonian evolutions, thereby emulating a dissipative problem by mixing various time scales. We introduce an efficient encoding of the LCHS into a quantum circuit based on a simple coordinate transformation that turns the dependence on the summation index into a trigonometric function. Classically, this method is equivalent to the use of a highly accurate Fejér-Clenshaw-Curtis quadrature formula. Quantumly, this significantly simplifies block-encoding of a dissipative problem and allows one to perform an exponential number of Hamiltonian simulations by a single Quantum Signal Processing (QSP) circuit. The resulting LCHS circuit has high success probability and the selector scales logarithmically with the number of terms in the LCHS sum and linearly with time. Careful analysis of error convergence proves that this method is more efficient than other LCHS circuits that have recently appeared in the literature. We verify the quantum circuit and its scaling by simulating it on a digital emulator of fault-tolerant quantum computers and, as a test problem, solve the advection-diffusion equation. The proposed algorithm can be used for simulating a wide class of nonunitary initial-value problems including the Liouville equation with added dissipation and linear embeddings of nonlinear systems, such as the Koopman-von Neumann and Carleman embeddings.

Novikau, I [Lawrence Livermore National Laboratory↗
DOE OSTI2020

Submodular optimization problems and greedy strategies: A survey

The greedy strategy is an approximation algorithm to solve optimization problems arising in decision making with multiple actions. How effective is the greedy strategy compared to the optimal solution? In this survey, we mainly consider two classes of optimization problems where the objective function is submodular. The first is set submodular optimization, which is to choose a set of actions to optimize a set submodular objective function, and the second is string submodular optimization, which is to choose an ordered set of actions to optimize a string submodular function. Our emphasis here is on performance bounds for the greedy strategy in submodular optimization problems. Specifically, we review performance bounds for the greedy strategy, more general and improved bounds in terms of curvature, performance bounds for the batched greedy strategy, and performance bounds for Nash equilibria.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Temporal feedback control of high-intensity laser pulses to optimize ultrafast heating of atomic clusters

We describe how active feedback routines can be applied at a limited repetition rate (5 Hz) to optimize high-power (>10 TW) laser interactions with clustered gases. Optimization of x-ray production from an argon cluster jet, using a genetic algorithm, approximately doubled the measured energy through temporal modification of the 150 mJ driving laser pulse. This method achieved an increased radiation yield through exploration of a multi-dimensional parameter space, without requiring detailed a priori knowledge of the complex cluster dynamics. The optimized laser pulses exhibited a slow rising edge to the intensity profile, which enhanced the laser energy coupling into the cluster medium, compared to the optimally compressed FWHM pulse (40 fs). This report suggests that this technique can be more widely utilized for control of intense pulsed secondary radiation from petawatt-class laser systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Optimal net-load balancing in smart grids with high PV penetration

Mitigating mismatches in supply demand curve is critical for smooth power grid operation. Traditionally, load curtailment techniques such as Demand Response (DR) have been used for this purpose. However, smart grids with high PV penetration sometimes exhibit supply surplus causing over-voltages. Thus, load curtailment techniques cannot be the only component of a net-load balancing framework. Supply curtailment techniques such as Volt-Var Optimizations are complex and computationally expensive. This increases the complexity of net-load balancing systems used by the grid operator and limits their scalability. Recently, new technologies have been developed that enable the rapid and selective connection of PV modules of an installation to the grid. Taking advantage of these advancements, we develop a unified optimal net-load balancing framework which performs both load and solar curtailment. We show that when the available curtailment values are discrete, this problem is NP-hard and develop bounded approximation algorithms for minimizing the curtailment cost. Our algorithms produce fast solutions, given the tight timing constraints required for grid operation. We also incorporate the notion of fairness to ensure that curtailment is evenly distributed among all the nodes. Finally, we develop an online algorithm which performs net-load balancing using only data available for the current interval. Using both theoretical analysis and practical evaluations, we show that our net-load balancing algorithms provide solutions which are close to optimal in a small amount of time.

14 SOLAR ENERGY↗
DOE OSTI2023

High-Level Synthesis of Irregular Applications: A Case Study on Influence Maximization

The Influence Maximization problem is the problem of identifying a small cohort of actors from a broader population that, when initially activated in a diffusion process, are expected to result in a large number of activations in the population. While the problem is known to be NP-hard, several approximation algorithms have been devised by leveraging its submodular structure. While these algorithms are theoretically efficient, they are computationally very expensive in practice. This work advances the current state-of-the-art parallelization scheme for the IMM algorithm by devising the adoption of custom hardware accelerators implemented on FPGAs by leveraging High Level Synthesis from OpenCL. We study the performance of our proposed approach by exploring optimizations tailored at improving the parallel efficiency of the accelerators and highlight their effects and limitations in accelerating complex graph analytic applications. Our experimental evaluation shows that FPGA acceleration can improve the performance of the LT diffusion model up to 1.72x for the entire application and up to 2.90x for its most important kernel with respect to a CPU only parallel execution. The FPGA acceleration of the LT model shows also a 1.54x reduction in energy consumption when compared to a parallel CPU only run.

Neff, Reece W.↗
DOE OSTI2019

pnnl/ripples

A C++ Library for Influence Maximization Ripples is a software framework to study the Influence Maximization problem. Our goal with Ripples is to provide tools implementing fast and scalable state-of-the-art approximation algorithms to solve the influence maximization problem.

Minutoli, Marco↗
DOE OSTI2020

Learning to Optimize Variational Quantum Circuits to Solve Combinatorial Problems

Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Furthermore, extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

ECP Milestone Report WBS 2.3.4.13 ECP/VTK-m FY18Q1 [MS-18/01-03] Multiblock / Gradients / Release STDA05-5.

The FY18Q1 milestone of the ECP/VTK-m project includes the implementation of a multiblock data set, the completion of a gradients filtering operation, and the release of version 1.1 of the VTK-m software. With the completion of this milestone, the new multiblock data set allows us to iteratively schedule algorithms on composite data structures such as assemblies or hierarchies like AMR. The new gradient algorithms approximate derivatives of fields in 3D structures with finite differences. Finally, the release of VTK-m version 1.1 tags a stable release of the software that can more easily be incorporated into external projects.

97 MATHEMATICS AND COMPUTING↗