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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Asynchronous and Load-Balanced Union-Find for Distributed and Parallel Scientific Data Visualization and Analysis

We present a novel distributed union-find algorithm that features asynchronous parallelism and k-d tree based load balancing for scalable visualization and analysis of scientific data. Applications of union-find include level set extraction and critical point tracking, but distributed union-find can suffer from high synchronization costs and imbalanced workloads across parallel processes. In this study, we prove that global synchronizations in existing distributed union-find can be eliminated without changing final results, allowing overlapped communications and computations for scalable processing. We also use a k-d tree decomposition to redistribute inputs, in order to improve workload balancing. We benchmark the scalability of our algorithm with up to 1,024 processes using both synthetic and application data. Here, we demonstrate the use of our algorithm in critical point tracking and super-level set extraction with high-speed imaging experiments and fusion plasma simulations, respectively.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics

Kinetic Monte Carlo (KMC) simulations are used to study long-time dynamics of a wide variety of systems. Unfortunately, the conventional KMC algorithm is not scalable to larger systems, since its time scale is inversely proportional to the simulated system size. A promising approach to resolving this issue is the synchronous parallel KMC (SPKMC) algorithm, which makes the time scale size-independent. This paper introduces a formal derivation of the SPKMC algorithm based on local transition-state and time-dependent Hartree approximations, as well as its scalable parallel implementation based on a dual linked-list cell method. The resulting algorithm has achieved a weak-scaling parallel efficiency of 0.935 on 1024 Intel Xeon processors for simulating biological electron transfer dynamics in a 4.2 billion-heme system, as well as decent strong-scaling parallel efficiency. The parallel code has been used to simulate a lattice of cytochrome complexes on a bacterial-membrane nanowire, and it is broadly applicable to other problems such as computational synthesis of new materials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Stochastic Multi-Criteria Decision-Making Algorithm for Dynamic Load Prioritization in Grid-Interactive Efficient Buildings

Increasing deployment of advanced sensing, controls, and communication infrastructure enables buildings to provide services to the power grid, leading to the concept of grid-interactive efficient buildings. Since occupant activities and preferences primarily drive the availability and operational flexibility of building devices, there is a critical need to develop occupant-centric approaches that prioritize devices for providing grid services, while maintaining the desired end-use quality of service. In this paper, we present a decision-making framework that facilitates a building owner/operator to effectively prioritize loads for curtailment service under uncertainties, while minimizing any adverse impact on the occupants. The proposed framework uses a stochastic (Markov) model to represent the probabilistic behavior of device usage from power consumption data, and a load prioritization algorithm that dynamically ranks building loads using a stochastic multi-criteria decision-making algorithm. The proposed load prioritization framework is illustrated via numerical simulations in a residential building use-case, including plug-loads, air-conditioners, and plug-in electric vehicle chargers, in the context of load curtailment as a grid service. Suitable metrics are proposed to evaluate the closed-loop performance of the proposed prioritization algorithm under various scenarios and design choices. Scalability of the proposed algorithm is established via computational analysis, while time-series plots are used for intuitive explanation of the ranking choices.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Distributed-Memory Parallel JointNMF

Joint Nonnegative Matrix Factorization (JointNMF) is a hybrid method for mining information from datasets that contain both feature and connection information. We propose distributed-memory parallelizations of three algorithms for solving the JointNMF problem based on Alternating Nonnegative Least Squares, Projected Gradient Descent, and Projected Gauss-Newton. We extend well-known communication-avoiding algorithms using a single processor grid case to our coupled case on two processor grids. We demonstrate the scalability of the algorithms on up to 960 cores (40 nodes) with 60% parallel efficiency. The more sophisticated Alternating Nonnegative Least Squares (ANLS) and Gauss-Newton variants outperform the first-order gradient descent method in reducing the objective on large-scale problems. We perform a topic modelling task on a large corpus of academic papers that consists of over 37 million paper abstracts and nearly a billion citation relationships, demonstrating the utility and scalability of the methods.

Eswar, Srinivas↗
DOE OSTI2016

A high-performance parallel algorithm for nonnegative matrix factorization

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors W and H, for the given input matrix A, such that A ≈ WH. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient distributed algorithms to solve the problem for big data sets. We propose a high-performance distributed-memory parallel algorithm that computes the factorization by iteratively solving alternating non-negative least squares (NLS) subproblems for W and H. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). As opposed to previous implementations, our algorithm is also flexible: (1) it performs well for both dense and sparse matrices, and (2) it allows the user to choose any one of the multiple algorithms for solving the updates to low rank factors W and H within the alternating iterations. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements.

Kannan, Ramakrishnan↗
DOE OSTI2024

DyG-DPCD: A Distributed Parallel Community Detection Algorithm for Large-Scale Dynamic Graphs

Dynamic (Temporal) graphs capture the valuable evolution of real-world systems, from the continuously evolving patterns of social interactions and genetic pathways to the dynamic fluctuations of economic forces. Detecting communities for such evolving networks poses unique challenges. Detecting and analyzing the evolution of communities within dynamic graphs unlocks valuable insights into the underlying structural and temporal patterns of real-world systems. However, the sheer volume of modern graph data and the inherent complexity of the temporal dimension pose significant challenges to scalable community detection algorithms. Addressing this gap, our work explores the limited landscape of scalable distributed-memory parallel methods specifically designed for dynamic network community detection. We propose a novel parallel algorithm, DyG-DPCD (Dynamic Graph Distributed Parallel Community Detection), to detect communities in dynamic networks using the Message Passing Interface (MPI) framework. We present a vertex-centric approach, allowing us to detect communities through local optimization. Furthermore, we enhance our baseline algorithm by incorporating three heuristics, which improve the algorithm’s performance significantly while maintaining the quality of the solutions. We demonstrate the efficiency of our algorithm by experimenting on several real-world large-scale networks with hundreds of millions of edges spanning diverse domains. Notably, DyG-DPCD achieves speedups between 25× and 30× for large networks that we experimented on using NERSC compute nodes. In conclusion, our algorithm outperforms the STINGER parallel re-agglomeration algorithm by 30×.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

MPI-FAUN: An MPI-Based Framework for Alternating-Updating Nonnegative Matrix Factorization

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors W and H, for the given input matrix A, such that A≈WH. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel algorithms to solve the problem for big data sets. The main contribution of this work is a new, high-performance parallel computational framework for a broad class of NMF algorithms that iteratively solves alternating non-negative least squares (NLS) subproblems for W and H. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). The framework is flexible and able to leverage a variety of NMF and NLS algorithms, including Multiplicative Update, Hierarchical Alternating Least Squares, and Block Principal Pivoting. Our implementation allows us to benchmark and compare different algorithms on massive dense and sparse data matrices of size that spans from few hundreds of millions to billions. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements. The code and the datasets used for conducting the experiments are available online.

2D↗
DOE OSTI2019

A Bayesian Approach to Real-Time Dynamic Parameter Estimation Using Phasor Measurement Unit Measurement

Here, we develop a polynomial-chaos-expansion (PCE)-based approach for decentralized dynamic parameter estimation through Bayesian inference. Using this approach, the non-Gaussian distribution of the inverted parameters is obtained. More specifically, we first represent the decentralized generator model with the PCE-based surrogate. This surrogate allows us to efficiently evaluate the time-consuming dynamic solver at parameter values through Metropolis-Hastings (M-H)-based Markov chain Monte Carlo (MCMC). Then, we propose a two-stage hybrid Markov chain Monte Carlo (MCMC) to recover a posteriori distribution of the decentralized generator model parameters. In the first stage, we use the gradient-enhanced Langevin MCMC algorithm to characterize an intermediate posterior parameter distribution. This algorithm is computationally scalable to the high-dimensional parameter space. Based on the intermediate posterior distribution, during the second stage, we use the adaptive MCMC algorithm to fine-tune the strong correlations between the parameters. Finally, the fully recovered a posterior distribution is obtained in the end. The simulation results show that the proposed PCE-based hybrid MCMC algorithm can accurately and efficiently estimate the high-dimensional generator dynamic model parameters with full probabilistic distribution provided.

42 ENGINEERING↗
DOE OSTI2014

Petascale Hierarchical Modeling VIA Parallel Execution

The research allows more effective model building. By allowing researchers to fit complex models to large datasets in a scalable manner, our algorithms and software enable more effective scientific research. In the new area of “big data,” it is often necessary to fit “big models” to adjust for systematic differences between sample and population. For this task, scalable and efficient model-fitting tools are needed, and these have been achieved with our new Hamiltonian Monte Carlo algorithm, the no-U-turn sampler, and our new C++ program, Stan. In layman’s terms, our research enables researchers to create improved mathematical modes for large and complex systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Smart Monitoring and Diagnostic System (SMDS) for Packaged Air Conditioners and Heat Pumps for Small/Medium Commercial Buildings: Preparation for Commercialization: CRADA 478 [Abstract only]

This project will enable Pacific Northwest National Laboratory (PNNL) and industry partner, mCloud Technologies, to work collaboratively to ready the Smart Monitoring and Diagnostic System (SMDS) for commercial deployment and validate its performance under real-world conditions at field sites. This project will specifically focus on 1) implementing the SMDS algorithms in a scalable cloud-based software architecture, 2) designing new, innovative, complimentary commercial services based on the SMDS, 3) enhancing the SMDS energy and cost impact algorithms to reduce uncertainty in estimates, 4) determining the lower limits on SMDS performance degradation detection, 5) validating algorithm performance and default values of adjustable thresholds with existing data from controlled physical testing and from customer packaged air conditioners and heat pumps (commonly referred to as rooftop units or RTUs), 6) field testing to validate the system on multiple customer buildings in diverse environments, and 7) expanding field deployment to a larger set of mCloud’s customer buildings. Project results by validating, enhancing, and quantifying the performance of the SMDS will position mCloud, and potential future licensees, to implement the SMDS in commercial offerings that encourage and enable use of condition-based and predictive maintenance, leading to significant reductions in energy use and greenhouse gas emissions associated with space conditioning by RTUs. Furthermore, these enhancements will increase the value of the SMDS for users and increase the potential market for its use and impacts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Distributed-Memory Parallel Symmetric Nonnegative Matrix Factorization

We develop the first distributed-memory parallel implementation of Symmetric Nonnegative Matrix Factorization (SymNMF), a key data analytics kernel for clustering and dimensionality reduction. Our implementation includes two different algorithms for SymNMF, which give comparable results in terms of time and accuracy. The first algorithm is a parallelization of an existing sequential approach that uses solvers for non symmetric NMF. The second algorithm is a novel approach based on the Gauss-Newton method. It exploits second-order information without incurring large computational and memory costs. We evaluate the scalability of our algorithms on the Summit system at Oak Ridge National Laboratory, scaling up to 128 nodes (4,096 cores) with 70% efficiency. Additionally, we demonstrate our software on an image segmentation task.

Eswar, Srinivas↗
DOE OSTI2015

Exploiting Redundancy and Application Scalability for Cost-Effective, Time-Constrained Execution of HPC Applications on Amazon EC2

The use of clouds to execute high-performance computing (HPC) applications has greatly increased recently. Clouds provide several potential advantages over traditional supercomputers and in-house clusters. The most popular cloud is currently Amazon EC2, which provides fixed-cost and variable-cost, auction-based options. The auction market trades lower cost for potential interruptions that necessitate checkpointing; if the market price exceeds the bid price, a node is taken away from the user without warning. We explore techniques to maximize performance per dollar given a time constraint within which an application must complete. Specifically, we design and implement multiple techniques to reduce expected cost by exploiting redundancy in the EC2 auction market. We then design an adaptive algorithm that selects a scheduling algorithm and determines the bid price. We show that our adaptive algorithm executes programs up to seven times cheaper than using the on-demand market and up to 44 percent cheaper than the best non-redundant, auction-market algorithm. We extend our adaptive algorithm to incorporate application scalability characteristics for further cost savings. In conclusion, we show that the adaptive algorithm informed with scalability characteristics of applications achieves up to 56 percent cost savings compared to the expected cost for the base adaptive algorithm run at a fixed, user-defined scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Parallel k-means++ for Multiple Shared-Memory Architectures

In recent years k-means++ has become a popular initialization technique for improved k-means clustering. To date, most of the work done to improve its performance has involved parallelizing algorithms that are only approximations of k-means++. In this paper we present a parallelization of the exact k-means++ algorithm, with a proof of its correctness. We develop implementations for three distinct shared-memory architectures: multicore CPU, high performance GPU, and the massively multithreaded Cray XMT platform. We demonstrate the scalability of the algorithm on each platform. In addition we present a visual approach for showing which platform performed k-means++ the fastest for varying data sizes.

data clustering↗
DOE OSTI2016

Advanced Dynamically Adaptive Algorithms for Stochastic Simulations on Extreme Scales

The focus of the project is the development of mathematical methods and high-performance com- putational tools for stochastic simulations, with a particular emphasis on computations on extreme scales. The core of the project revolves around the design of highly e cient and scalable numer- ical algorithms that can adaptively and accurately, in high dimensional spaces, resolve stochastic problems with limited smoothness, even containing discontinuities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A FETI approach to domain decomposition for meshfree discretizations of nonlocal problems

We propose a domain decomposition method for the efficient simulation of nonlocal problems. Our approach is based on a multi-domain formulation of a nonlocal diffusion problem where the subdomains share “nonlocal” interfaces of the size of the nonlocal horizon. This system of nonlocal equations is first rewritten in terms of minimization of a nonlocal energy, then discretized with a meshfree approximation and finally solved via a Lagrange multiplier approach in a way that resembles the finite element tearing and interconnect method. Specifically, we propose a distributed projected gradient algorithm for the solution of the Lagrange multiplier system, whose unknowns determine the nonlocal interface conditions between subdomains. Several two-dimensional numerical tests on problems as large as 191 million unknowns illustrate the strong and the weak scalability of our algorithm, which outperforms the standard approach to the distributed numerical solution of the problem. Finally, this work is the first rigorous numerical study in a two-dimensional multi-domain setting for nonlocal operators with finite horizon and, as such, it is a fundamental step towards increasing the use of nonlocal models in large scale simulations.

42 ENGINEERING↗
DOE OSTI2018

Robust Localization of an Arbitrary Distribution of Radioactive Sources for Aerial Inspection - 18094

Radiation source detection has seen various applications in the past decade, ranging from the detection of dirty bombs in public places to scanning critical nuclear facilities for leakage or flaws, and in the autonomous inspection of nuclear sites. Despite the success in detecting single point sources, or a small number of spatially separated point sources, most of the existing algorithms fail to localize sources in complex scenarios with a large number of point sources or non-trivial distributions and bulk sources. Even in simpler environments, most existing algorithms are not scalable to larger regions and/or higher dimensional spaces. For effective autonomous inspection, we not only need to estimate the positions of the sources, but also the number, distribution and intensities of each of them. In this paper, we present a novel algorithm for the robust localization of an arbitrary distribution of radiation sources using multi-layer sequential Monte Carlo methods coupled with suitable clustering algorithms. We achieve near-perfect accuracy, in terms of F1-scores (> 0.95), while allowing the algorithm to scale, both to large regions in space, and to higher dimensional spaces (5 tested). (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

A Parallel, Fully Coupled, Fully Implicit Solution to Reactive Transport in Porous Media Using the Preconditioned Jacobian-Free Newton-Krylov Method

Modeling large multicomponent reactive transport systems in porous media is particularly challenging when the governing partial differential algebraic equations (PDAEs) are highly nonlinear and tightly coupled due to complex nonlinear reactions and strong solution-media interactions. Here we present a preconditioned Jacobian-Free Newton-Krylov (JFNK) solution approach to solve the governing PDAEs in a fully coupled and fully implicit manner. A well-known advantage of the JFNK method is that it does not require explicitly computing and storing the Jacobian matrix during Newton nonlinear iterations. Our approach further enhances the JFNK method by utilizing physics-based, block preconditioning and a multigrid algorithm for efficient inversion of the preconditioner. This preconditioning strategy accounts for self- and optionally, cross-coupling between primary variables using diagonal and off-diagonal blocks of an approximate Jacobian, respectively. Numerical results are presented demonstrating the efficiency and massive scalability of the solution strategy for reactive transport problems involving strong solution-mineral interactions and fast kinetics. We found that the physics-based, block preconditioner significantly decreases the number of linear iterations, directly reducing computational cost; and the strongly scalable algebraic multigrid algorithm for approximate inversion of the preconditioner leads to excellent parallel scaling performance.

97 MATHEMATICS AND COMPUTING↗