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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

An algorithm for converting a virtual-bond chain into a complete polypeptide backbone chain

A systematic analysis is presented of the algorithm for converting a virtual-bond chain, defined by the coordinates of the alpha-carbons of a given protein, into a complete polypeptide backbone. An alternative algorithm, based upon the same set of geometric parameters used in the Purisima-Scheraga algorithm but with a different "linkage map" of the algorithmic procedures, is proposed. The global virtual-bond chain geometric constraints are more easily separable from the loal peptide geometric and energetic constraints derived from, for example, the Ramachandran criterion, within the framework of this approach.

NASA Discipline Exobiology↗
NASA NTRS2003

Phasor algorithms of the SIM fringe estimation

The Space Interferometry Mission (SIM) will provide unprecedented micro-arcsecond (pas) precision to search for extra-solar planets and possible life in the universe. SIM will also revolutionize our understanding of the dynamics and evolutions of the local universe through hundred-fold improvements of inertial astrometry measurements. SIM has two so-called guide interferometers to provide stable inertial orientation knowledge of the baseline, and a science interferometer to measure target fringes. The guide and science measurements are based on the fringe phase measurements using a CCD detector. One of the key issues with SIM is to develop a new algorithm for calculation of fringe parameters. Not only astrometric results need that new algorithm, but also real-time fringe tracking requires a new method to calculate phase and visibility fast and accurately. The formulas for the phasor algorithms for fringe estimation are presented. The signal-noise ratio performances of the fringe quadratures are demonstrated. The advantages of phasor algorithms for application of fast fringe tracking and on-board data compression are discussed.

interferometry↗
NASA NTRS2014

Next Generation Aura-OMI SO2 Retrieval Algorithm: Introduction and Implementation Status

We introduce our next generation algorithm to retrieve SO2 using radiance measurements from the Aura Ozone Monitoring Instrument (OMI). We employ a principal component analysis technique to analyze OMI radiance spectral in 310.5-340 nm acquired over regions with no significant SO2. The resulting principal components (PCs) capture radiance variability caused by both physical processes (e.g., Rayleigh and Raman scattering, and ozone absorption) and measurement artifacts, enabling us to account for these various interferences in SO2 retrievals. By fitting these PCs along with SO2 Jacobians calculated with a radiative transfer model to OMI-measured radiance spectra, we directly estimate SO2 vertical column density in one step. As compared with the previous generation operational OMSO2 PBL (Planetary Boundary Layer) SO2 product, our new algorithm greatly reduces unphysical biases and decreases the noise by a factor of two, providing greater sensitivity to anthropogenic emissions. The new algorithm is fast, eliminates the need for instrument-specific radiance correction schemes, and can be easily adapted to other sensors. These attributes make it a promising technique for producing long-term, consistent SO2 records for air quality and climate research. We have operationally implemented this new algorithm on OMI SIPS for producing the new generation standard OMI SO2 products.

Sulfur dioxide↗
NASA NTRS2019

Chlorophyll Algorithms for Ocean Color Sensors - OC4, OC5 and OC6

A high degree of consistency and comparability among chlorophyll algorithms is necessary to meet the goals of merging data from concurrent overlapping ocean color missions for increased coverage of the global ocean and to extend existing time series to encompass data from recently launched missions and those planned for the near future, such as PACE, OLCI, HawkEye, EnMAP and SABIA-MAR. To accomplish these goals, we developed 65 empirical ocean color (OC) chlorophyll algorithms for 25 satellite instruments using the largest available and most globally representative database of coincident in situ chlorophyll a and remote sensing reflectances. Excellent internal consistency was achieved across these OC ‘Version -7’ algorithms, as demonstrated by a median regression slope and coefficient of determination (R (sup 2)) of 0.985 and 0.859, respectively, among 903 pairwise comparisons of OC-modeled chlorophyll. SeaWiFS and MODIS-Aqua satellite-to-in situ match-up results indicated equivalent, and sometimes superior, performance to current heritage chlorophyll algorithms.

ocean color↗
NASA NTRS2021

Progress in Scheduling Algorithms for a Collaborative Distributed System for Flight Planning

This Technical Memorandum describes four contributions made by the authors to a larger team effort toward developing a distributed system for scheduling commercial flights at navigation fixes and/or airport runways. These contributions are as follows: (1) a proof of correctness for a scheduling algorithm published previously by Meyn, (2) an improvement of Meyn's algorithm from quadratic to linear time, (3) two independent implementations of the algorithm with test results identical to those published, and (4) an extension of Meyn's algorithm to support minimum usable time intervals.

arrival scheduling↗
NASA NTRS2022

A Quantum Algorithm to Simulate Open Quantum Systems

Given the advent of quantum algorithms for a wide array of problems in linear algebra and machine learning, it is important to develop general methods for the simulation of arbitrary (ie non-unitary) operators on quantum hardware. In this talk, we present a novel quantum algorithm based on the quantum singular value transformation (QSVT) to apply an arbitrary operator K to some input state and subsequently estimate the expectation value of some observable. Our construction then immediately yields a route to estimating observables of states undergoing open quantum dynamics, whose effect is captured by a set of non-unitary Kraus operators. Our algorithm succeeds deterministically given the Sz-Nagy dilation, and we provide details on the algorithm's query and gate complexity, numerical verification, and comparisons with prior methods.

Quantum computing↗
NASA NTRSDate not supplied

Bias in Planning Algorithms

Does bias exist in planning algorithms? If so, how does bias manifest, and how important is this bias? Answering this question requires a formal, mathematical definition of bias. We formally define bias as the distance between the probability distributions of solutions returned by various algorithms, and the uniform distribution over solutions. We show in this paper that deterministic algorithms are inherently biased, as they don’t return all solutions, and that this property holds even when algorithms return a set of plans instead of just one plan. Exceptions are problem instances or problem classes for which only a single solution exists. We then discuss changing the definition of bias to compare the probability distributions of properties of sets of plans instead of individual plans. We show the property bias is smaller than the bias of actual plans. Finally, we show that entropy is a proxy for the more complex and more expensive distance measurement between pairs of probability distributions. We then describe a roadmap for future investigations of bias in planning.

Planning Scheduling Algorithms↗
DOE OSTI2016

DEVELOPMENT AND TESTING OF FAULT-DIAGNOSIS ALGORITHMS FOR REACTOR PLANT SYSTEMS

Argonne National Laboratory is further developing fault diagnosis algorithms for use by the operator of a nuclear plant to aid in improved monitoring of overall plant condition and performance. The objective is better management of plant upsets through more timely, informed decisions on control actions with the ultimate goal of improved plant safety, production, and cost management. Integration of these algorithms with visual aids for operators is taking place through a collaboration under the concept of an operator advisory system. This is a software entity whose purpose is to manage and distill the enormous amount of information an operator must process to understand the plant state, particularly in off-normal situations, and how the state trajectory will unfold in time. The fault diagnosis algorithms were exhaustively tested using computer simulations of twenty different faults introduced into the chemical and volume control system (CVCS) of a pressurized water reactor (PWR). The algorithms are unique in that each new application to a facility requires providing only the piping and instrumentation diagram (PID) and no other plant-specific information; a subject-matter expert is not needed to install and maintain each instance of an application. The testing approach followed accepted procedures for verifying and validating software. It was shown that the code satisfies its functional requirement which is to accept sensor information, identify process variable trends based on this sensor information, and then to return an accurate diagnosis based on chains of rules related to these trends. The validation and verification exercise made use of GPASS, a one-dimensional systems code, for simulating CVCS operation. Plant components were failed and the code generated the resulting plant response. Parametric studies with respect to the severity of the fault, the richness of the plant sensor set, and the accuracy of sensors were performed as part of the validation exercise. The background and overview of the software will be presented to give an overview of the approach. Following, the verification and validation effort using the GPASS code for simulation of plant transients including a sensitivity study on important parameters will be presented

Fault Diagnosis Algorithm↗
DOE OSTI2023

Optimization Algorithm for Criticality Experiment Design Using Whisper

Many criticality experiments performed to aid in nuclear data evaluation are designed to maximize the sensitivity of the system’s effective neutron multiplication factor to a certain nuclide reaction pair over an energy region of interest. This is typically done by evaluating possible designs in a transport code such as MCNP and selecting the one with the highest desired sensitivity. A designer has many tools to try to maximize this sensitivity such as different moderators, reflectors, fuels, and geometries. This balancing act of identifying a critical and maximally sensitive system become very computationally expensive as more variables are added and higher precisions are desired. In order to identify these optimal configurations more efficiently a Particle Swarm Optimization (PSO) algorithm coupled with MCNP has been developed by Los Alamos National Laboratory (LANL). This algorithm has been used to design two upcoming criticality experiments that will be performed at the National Criticality Experiments Research Center (NCERC), located at the Nevada National Security Site, and operated by LANL, the only general-purpose critical experiments laboratory in the United States. PSO uses a population (swarm) of candidate solutions (particles) on a search space of dimensions such as moderator and reflector thicknesses or enrichments and concentrations. These particles move around the search space from generation to generation according to simple rules. Eventually, the swarm converges on the configuration that is both critical and maximally sensitive to a piece of nuclear data. PSO is well suited for criticality experiments as the algorithm is agnostic to the underlying physics, meaning it is effective on many different experimental setups. This algorithm has been modified to maximize the nuclear data similarity coefficient between an application case and an experiment aimed at replicating the application case using WHISPER, a nuclear criticality safety analysis tool. This allows for the efficient design of critical experiments informed by nuclear data sensitives.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A Privacy Preserving Distributed Model Identification Algorithm for Power Distribution Systems: Preprint

Distributed control/optimization is a promising approach for network systems due to its advantages over centralized schemes, such as robustness, cost-effectiveness, and improved privacy. However, distributed methods can have drawbacks, such as slower convergence rates due to limited knowledge of the overall network model. Additionally, ensuring privacy in the communication of sensitive information can pose implementation challenges. To address this issue, we propose a distributed model identification algorithm that enables each agent to identify the sub-model that characterizes the relationship between its local control and the overall system outputs. The proposed algorithm maintains the privacy of local agents by only communicating through dummy variables. We demonstrate the efficacy of our algorithm in the context of power distribution systems by applying it to the voltage regulation of a modified IEEE distribution system. The proposed algorithm is well-suited to the needs of power distribution controls and offers an effective solution to the challenges of distributed model identification in network systems.

data-driven modeling↗
DOE OSTI2016

Application of NEM-based Pin-by-Pin HCMFD Algorithm to 3-D Core Analysis

A pin-wise reactor analysis is expected to provide a more accurate solution than the conventional nodal methods. However, a pin-wise approach is still computationally very costly though the computational performances have been enormously improved for decades. To overcome such limitation of a pin-by-pin core analysis, the HCMFD (Hybrid Course-Mesh Finite Difference) algorithm has been recently introduced. By adopting the HCMFD algorithm, a parallel computing can be applied very effectively. In the HCMFD algorithm, an iterative local-global strategy is adopted with a combination of two CMFD acceleration methods for the pin-wise core analysis. The global eigenvalue problem is solved by one-node CMFD, while the local fixed-source problems are solved by two-node CMFD based on the NEM (nodal expansion method). In the HCMFD computational scheme, a parallel computing can effectively be applied since most of the computational efforts are consumed to solve the local problems, and they can be solved in parallel. Previously, only a 2-D HCMFD algorithm was developed and its numerical efficiency was evaluated. In this paper, a 3D HCMFD scheme is introduced and some 3-D problems were analyzed to verify its applicability to 3D pin-wise core analysis. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Extending the eigCG algorithm to nonsymmetric Lanczos for linear systems with multiple right-hand sides

The technique that was used to build the EigCG algorithm for sparse symmetric linear systems is extended to the nonsymmetric case using the BiCG algorithm. We show that, similarly to the symmetric case, we can build an algorithm that is capable of computing a few smallest magnitude eigenvalues and their corresponding left and right eigenvectors of a nonsymmetric matrix using only a small window of the BiCG residuals while simultaneously solving a linear system with that matrix. For a system with multiple right-hand sides, we give an algorithm that computes incrementally more eigenvalues while solving the first few systems and then uses the computed eigenvectors to deflate BiCGStab for the remaining systems. Our experiments on various test problems, including Lattice QCD, show the remarkable ability of EigBiCG to compute spectral approximations with accuracy comparable to that of the unrestarted, nonsymmetric Lanczos. Furthermore, our incremental EigBiCG followed by appropriately restarted and deflated BiCGStab provides a competitive method for systems with multiple right-hand sides.

Abdel-Rehim, A M↗
DOE OSTI2016

A rank-exploiting infinite Arnoldi algorithm for nonlinear eigenvalue problems

We consider the nonlinear eigenvalue problem M ( λ ) x = 0, where M ( λ ) is a large parameter-dependent matrix. In several applications, M ( λ ) has a structure where the higher-order terms of its Taylor expansion have a particular low-rank structure. We propose a new Arnoldi-based algorithm that can exploit this structure. More precisely, the proposed algorithm is equivalent to Arnoldi's method applied to an operator whose reciprocal eigenvalues are solutions to the nonlinear eigenvalue problem. The iterates in the algorithm are functions represented in a particular structured vector-valued polynomial basis similar to the construction in the infinite Arnoldi method [Jarlebring, Michiels, and Meerbergen, Numer. Math., 122 (2012), pp. 169–195]. In this paper, the low-rank structure is exploited by applying an additional operator and by using a more compact representation of the functions. This reduces the computational cost associated with orthogonalization, as well as the required memory resources. The structure exploitation also provides a natural way in carrying out implicit restarting and locking without the need to impose structure in every restart. In conclusion, the efficiency and properties of the algorithm are illustrated with two large-scale problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Convergence of the multigrid reduction in time algorithm for the linear elasticity equations

This paper presents some recent advances for parallel-in-time methods applied to linear elasticity. With recent computer architecture changes leading to stagnant clock speeds, but ever increasing numbers of cores, future speedups will be available through increased concurrency. Thus, sequential algorithms, such as time stepping, will suffer a bottleneck. This paper explores multigrid reduction in time (MGRIT) for an important application area, linear elasticity. Previously, efforts at parallel-in-time for elasticity have experienced difficulties, for example, the beating phenomenon. As a result, practical parallel-in-time algorithms for this application area currently do not exist. This paper proposes some solutions made possible by MGRIT (e.g., slow temporal coarsening and FCF-relaxation) and, more importantly, a different formulation of the problem that is more amenable to parallel-in-time methods. Using a recently developed convergence theory for MGRIT and Parareal, we show that the changed formulation of the problem avoids the instability issues and allows the reduction of the error using two temporal grids. We then extend our approach to the multilevel case, where we demonstrate how slow temporal coarsening improves convergence. Finally, the paper ends with supporting numerical results showing a practical algorithm enjoying speedup benefits over the sequential algorithm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Mixed precision s –step Lanczos and conjugate gradient algorithms

Compared to the classical Lanczos algorithm, the s-step Lanczos variant has the potential to improve performance by asymptotically decreasing the synchronization cost per iteration. However, this comes at a price; despite being mathematically equivalent, the s-step variant may behave quite differently in finite precision, potentially exhibiting greater loss of accuracy and slower convergence relative to the classical algorithm. It has previously been shown that the errors in the s-step version follow the same structure as the errors in the classical algorithm, but are amplified by a factor depending on the square of the condition number of the O(s)-dimensional Krylov bases computed in each outer loop. As the condition number of these s-step bases grows (in some cases very quickly) with s, this limits the s values that can be chosen and thus can limit the attainable performance. In this work, we show that if a select few computations in s-step Lanczos are performed in double the working precision, the error terms then depend only linearly on the conditioning of the s-step bases. This has the potential for drastically improving the numerical behavior of the algorithm with little impact on per-iteration performance. Our numerical experiments demonstrate the improved numerical behavior possible with the mixed precision approach, and also show that this improved behavior extends to mixed precision s-step CG. Here, we present preliminary performance results on NVIDIA V100 GPUs that show that the overhead of extra precision is minimal if one uses precisions implemented in hardware.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

An efficient, partitioned ensemble algorithm for simulating ensembles of evolutionary MHD flows at low magnetic Reynolds number

Studying the propagation of uncertainties in a nonlinear dynamical system usually involves generating a set of samples in the stochastic parameter space and then repeated simulations with different sampled parameters. The main difficulty faced in the process is the excessive computational cost. In this paper, we present an efficient, partitioned ensemble algorithm to determine multiple realizations of a reduced Magnetohydrodynamics (MHD) system, which models MHD flows at low magnetic Reynolds number. The algorithm decouples the fully coupled problem into two smaller subphysics problems, which reduces the size of the linear systems that to be solved and allows the use of optimized codes for each subphysics problem. Moreover, the resulting coefficient matrices are the same for all realizations at each time step, which allows faster computation of all realizations and significant savings in computational cost. We prove this algorithm is first order accurate and long time stable under a time step condition. Numerical examples are provided to verify the theoretical results and demonstrate the efficiency of the algorithm.

Jiang, Nan↗
DOE OSTI2025

Randomized Algorithms for Low-Rank Matrix and Tensor Decompositions

This paper surveys randomized algorithms in numerical linear algebra for low-rank decompositions of matrices and tensors. The survey begins with a review of classical matrix algorithms that can be accelerated by randomized dimensionality reduction, such as the singular value decomposition (SVD) or interpolative (ID) and CUR decompositions. Recent advances in randomized dimensionality reduction are discussed, including new methods of fast matrix sketching and sampling techniques, which are incorporated into classical matrix algorithms for fast low-rank matrix approximations. The extension of randomized matrix algorithms to tensors is then explored for several low-rank tensor decompositions in the CP and Tucker formats, including the higher-order SVD, ID, and CUR decomposition.

Pearce, Katherine J. [The University of Texas at A↗
DOE OSTI2015

Accelerating k-NN Algorithm with Hybrid MPI and OpenSHMEM

Machine Learning algorithms are benefiting from the continuous improvement of programming models, including MPI, MapReduce and PGAS. k-Nearest Neighbors (k-NN) algorithm is a widely used machine learning algorithm, applied to supervised learning tasks such as classification. Several parallel implementations of k-NN have been proposed in the literature and practice. However, on high-performance computing systems with high-speed interconnects, it is important to further accelerate existing designs of the k-NN algorithm through taking advantage of scalable programming models. To improve the performance of k-NN on large-scale environment with InfiniBand network, this paper proposes several alternative hybrid MPI+OpenSHMEM designs and performs a systemic evaluation and analysis on typical workloads. The hybrid designs leverage the one-sided memory access to better overlap communication with computation than the existing pure MPI design, and propose better schemes for efficient buffer management. The implementation based on k-NN program from MaTEx with MVAPICH2-X (Unified MPI+PGAS Communication Runtime over InfiniBand) shows up to 9.0% time reduction for training KDD Cup 2010 workload over 512 cores, and 27.6% time reduction for small workload with balanced communication and computation. Experiments of running with varied number of cores show that our design can maintain good scalability.

Lin, Jian↗