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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Implementation and Optimization of miniGMG - a Compact Geometric Multigrid Benchmark

Multigrid methods are widely used to accelerate the convergence of iterative solvers for linear systems used in a number of different application areas. In this report, we describe miniGMG, our compact geometric multigrid benchmark designed to proxy the multigrid solves found in AMR applications. We explore optimization techniques for geometric multigrid on existing and emerging multicore systems including the Opteron-based Cray XE6, Intel Sandy Bridge and Nehalem-based Infiniband clusters, as well as manycore-based architectures including NVIDIA's Fermi and Kepler GPUs and Intel's Knights Corner (KNC) co-processor. This report examines a variety of novel techniques including communication-aggregation, threaded wavefront-based DRAM communication-avoiding, dynamic threading decisions, SIMDization, and fusion of operators. We quantify performance through each phase of the V-cycle for both single-node and distributed-memory experiments and provide detailed analysis for each class of optimization. Results show our optimizations yield significant speedups across a variety of subdomain sizes while simultaneously demonstrating the potential of multi- and manycore processors to dramatically accelerate single-node performance. However, our analysis also indicates that improvements in networks and communication will be essential to reap the potential of manycore processors in large-scale multigrid calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Efficient phase-factor evaluation in quantum signal processing

Quantum signal processing (QSP) is a powerful quantum algorithm to exactly implement matrix polynomials on quantum computers. Asymptotic analysis of quantum algorithms based on QSP has shown that asymptotically optimal results can in principle be obtained for a range of tasks, such as Hamiltonian simulation and the quantum linear system problem. A further benefit of QSP is that it uses a minimal number of ancilla qubits, which facilitates its implementation on near-to-intermediate term quantum architectures. However, there is so far no classically stable algorithm allowing computation of the phase factors that are needed to build QSP circuits. Existing methods require the use of variable precision arithmetic and can only be applied to polynomials of a relatively low degree. We present here an optimization-based method that can accurately compute the phase factors using standard double precision arithmetic operations. We demonstrate the performance of this approach with applications to Hamiltonian simulation, eigenvalue filtering, and quantum linear system problems. Furthermore, our numerical results show that the optimization algorithm can find phase factors to accurately approximate polynomials of a degree larger than 10000 with errors below 10 -12 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A mathematical programming approach for the optimal placement of flame detectors in petrochemical facilities

Flame detectors provide an important layer of protection for personnel in petrochemical plants, but effective placement can be challenging. A mixed-integer nonlinear programming formulation is proposed for optimal placement of flame detectors while considering non-uniform probabilities of detection failure. We show that this approach allows for the placement of fire detectors using a fixed sensor budget and outperforms models that do not account for imperfect detection. In this study, we develop a linear relaxation to the formulation and an efficient solution algorithm that achieves global optimality with reasonable computational effort. We integrate this problem formulation into the Python package, Chama, and demonstrate the effectiveness of this formulation on a small test case and on two real-world case studies using the fire and gas mapping software, Kenexis Effigy.

47 OTHER INSTRUMENTATION↗
DOE OSTI2013

Ant Colony Optimization for Mapping, Scheduling and Placing in Reconfigurable Systems

Modern heterogeneous embedded platforms, com- posed of several digital signal, application specific and general purpose processors, also include reconfigurable devices support- ing partial dynamic reconfiguration. These devices can change the behavior of some of their parts during execution, allowing hardware acceleration of more sections of the applications. Never- theless, partial dynamic reconfiguration imposes severe overheads in terms of latency. For such systems, a critical part of the design phase is deciding on which processing elements (mapping) and when (scheduling) executing a task, but also how to place them on the reconfigurable device to guarantee the most efficient reuse of the programmable logic. In this paper we propose an algorithm based on Ant Colony Optimization (ACO) that simultaneously executes the scheduling, the mapping and the linear placing of tasks, hiding reconfiguration overheads through prefetching. Our heuristic gradually constructs solutions and then searches around the best ones, cutting out non-promising areas of the design space. We show how to consider the partial dynamic reconfiguration constraints in the scheduling, placing and mapping problems and compare our formulation to other heuristics that address the same problems. We demonstrate that our proposal is more general and robust, and finds better solutions (16.5% in average) with respect to competing solutions.

Ant Colony Optimization↗
DOE OSTI2024

Complex-valued universal linear transformations and image encryption using spatially incoherent diffractive networks

As an optical processor, a diffractive deep neural network (D2NN) utilizes engineered diffractive surfaces designed through machine learning to perform all-optical information processing, completing its tasks at the speed of light propagation through thin optical layers. With sufficient degrees of freedom, D2NNs can perform arbitrary complex-valued linear transformations using spatially coherent light. Similarly, D2NNs can also perform arbitrary linear intensity transformations with spatially incoherent illumination; however, under spatially incoherent light, these transformations are nonnegative, acting on diffraction-limited optical intensity patterns at the input field of view. Here, we expand the use of spatially incoherent D2NNs to complex-valued information processing for executing arbitrary complex-valued linear transformations using spatially incoherent light. Through simulations, we show that as the number of optimized diffractive features increases beyond a threshold dictated by the multiplication of the input and output space-bandwidth products, a spatially incoherent diffractive visual processor can approximate any complex-valued linear transformation and be used for all-optical image encryption using incoherent illumination. The findings are important for the all-optical processing of information under natural light using various forms of diffractive surface-based optical processors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Neuromorphic Information Processing by Optical Media

Classification of features in a scene typically requires conversion of the incoming photonic field int the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ x 100λ with aperture density λ -2 achieve ~96% testing accuracy on the MNIST dataset, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

TH-CD-209-06: LET-Based Adjustment of IMPT Plans Using Prioritized Optimization

Purpose: In-vitro experiments suggest an increase in proton relative biological effectiveness (RBE) towards the end of range. However, proton treatment planning and dose reporting for clinical outcome assessment has been based on physical dose and constant RBE. Therefore, treatment planning for intensity-modulated proton therapy (IMPT) is unlikely to transition radically to pure RBE-based planning. We suggest a hybrid approach where treatment plans are initially created based on physical dose constraints and prescriptions, and are subsequently altered to avoid high linear energy transfer (LET) in critical structures while limiting the degradation of the physical dose distribution. Methods: To allow fast optimization based on dose and LET we extended a GPU-based Monte-Carlo code towards providing dose-averaged LET in addition to dose for all pencil beams. After optimizing an initial IMPT plan based on physical dose, a prioritized optimization scheme is used to modify the LET distribution while constraining the physical dose objectives to values close to the initial plan. The LET optimization step is performed based on objective functions evaluated for the product of physical dose and LET (LETxD). To first approximation, LETxD represents a measure of the additional biological dose that is caused by high LET. Regarding optimization techniques, LETxD has the advantage of being a linear function of the pencil beam intensities. Results: The method is applicable to treatments where serial critical structures with maximum dose constraint are located in or near the target. We studied intra-cranial tumors (high-grade meningiomas, base-of-skull chordomas) where the target (CTV) overlaps with the brainstem and optic structures. Often, high LETxD in critical structures can be avoided while minimally compromising physical dose planning objectives. Conclusion: LET-based re-optimization of IMPT plans represents a pragmatic approach to bridge the gap between purely physical dose-based and RBE-based planning. It can be realized with fast GPU-based Monte-Carlo dose calculation. The project was in part supported by NIH grants U19 CA 021239-36 and C06 CA 059267.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Compadre Toolkit

The Compadre Toolkit solves a minimization problem, that once solved allows a user to reconstruct a function from sample data collected from a cloud of data sites. The solution to this minimization can also be used to assemble a linear system that can be solved numerically using some other software. The minimization problem the toolkit solves is to find the optimal finite polynomial in a user specified finite dimensional space with regards to minimizing an objective function which measures a linear sampling functional applied to the polynomial, compared to the same sampling functional applied to the source function, weighted by a positive kernel that has compact support.

SciDAC↗
DOE OSTI2021

Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance

Classification of features in a scene typically requires conversion of the incoming photonic field into the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ × 100λ with an aperture density λ –2 achieve ~96% testing accuracy on the MNIST data set, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Economic Analysis and Optimal Sizing for behind-the-meter Battery Storage

This paper proposes methods to estimate the potential benefits and determine the optimal energy and power capacity for behind-the-meter BSS. In the proposed method, a linear programming is first formulated only using typical load profiles, energy/demand charge rates, and a set of battery parameters to determine the maximum saving in electric energy cost. The optimization formulation is then adapted to include battery cost as a function of its power and energy capacity in order to capture the trade-off between benefits and cost, and therefore to determine the most economic battery size. Using the proposed methods, economic analysis and optimal sizing have been performed for a few commercial buildings and utility rate structures that are representative of those found in the various regions of the Continental United States. The key factors that affect the economic benefits and optimal size have been identified. The proposed methods and case study results cannot only help commercial and industrial customers or battery vendors to evaluate and size the storage system for behind-the-meter application, but can also assist utilities and policy makers to design electricity rate or subsidies to promote the development of energy storage.

Wu, Di↗
DOE OSTI2024

Performance Evaluation of District Energy Microgrids Planning Tool for Non-Technical Users

Community Microgrids are increasingly gaining popularity worldwide for their efficiency, cost-effectiveness, and local resilience improvement. Microgrid planning tools play a crucial role in their deployment. In the process, tentative designs of the microgrid are simulated, analyzed, and optimized. Due to the complexity of the problem, planning tools must carefully balance computational efficiency while seeking the most optimal solutions. This paper investigates the impact of algorithm selection on CPU and memory utilization of a Community Microgrid planning tool that is specifically designed for non-technical users. We compare two version of the code with two alternatives for Community Microgrid planning tools: a Greedy Algorithm, and a Linear Programming Approach. This comparison examines scenarios spanning from 2 to 50 buildings. Our findings revealed a significant difference in performance between the two algorithms, underscoring the critical role of algorithm selection in optimizing the efficiency of Community Microgrid Planning Tools.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Tri-Level Linear Programming Model for Automatic Load Shedding Using Spectral Clustering

Traditional load shedding schemes can be inadequate in grids with high renewable penetration, leading to unstable events and unnecessary grid islanding. Although for both manual and automatic operating modes load shedding areas have been predefined by grid operators, they have remained fixed, and may be sub-optimal due to dynamic operating conditions. In this work, a distributed tri-level linear programming model for automatic load shedding to avoid system islanding is presented. Preventing islanding is preferred because it reduces the need for additional load shedding besides the disconnection of transmission lines between islands. This is crucial as maintaining the local generation-demand balance is necessary to preserve frequency stability. Furthermore, uneven distribution of generation resources among islands can lead to increased load shedding, causing economic and reliability challenges. This issue is further compounded in modern power systems heavily dependent on non-dispatchable resources like wind and solar. The upper-level model uses complex power flow measurements to determine the system areas to shed load depending on actual operating conditions using a spectral clustering approach. The mid-level model estimates the area system state, while the lower-level model determines the locations and load values to be shed. The solution is practical and promising for real-world applications.

Baquedano-Aguilar, Mario D.↗
DOE OSTI2024

Defect-engineered monolayer MoS 2 with enhanced memristive and synaptic functionality for neuromorphic computing

Two-dimensional transition metal dichalcogenides (TMDs)-based memristors are promising candidates for realizing artificial synapses in next-generation computing. However, practical implementation faces several challenges, such as high non-linearity and asymmetry in synaptic weight updates, limited dynamic range, and cycle-to-cycle variability. Here, utilizing optimal-power argon plasma treatment, we significantly enhance the performance matrix of memristors fabricated from monolayer MoS 2 . Our approach not only improves linearity and symmetry in synaptic weight updates but also increases the number of available synaptic weight updates and enhances Spike-Time Dependent Plasticity. Notably, it broadens the switching ratio by two orders, minimizes cycle-to-cycle variability, reduces non-linear factors, and achieves an energy consumption of ~30 fJ per synaptic event. Implementation of these enhancements is demonstrated through Artificial Neural Network simulations, yielding a learning accuracy of ~97% on the MNIST hand-written digits dataset. Our findings underscore the significance of defect engineering as a powerful tool in advancing the synaptic functionality of memristors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Simultaneous shape and topology optimization of inflatable soft robots

Simultaneous shape and topology optimization is used to design pressure-activated inflatable soft robots. The pressure loaded boundary is meshed conformingly and shape optimized, while the morphology of the robot is topology optimized. The design objective is to exert maximum force on an object, i.e. to produce soft “grippers”. The robot’s motion is modeled using nearly incompressible finite deformation hyperelasticity. To ensure stability of the robot, the buckling load factors obtained via linearized buckling analyses are constrained. The finite element method is used to evaluate the optimization cost and constraint functions and the adjoint method is employed to compute their sensitivities. The numerical examples produce pressure-driven soft robots with varying complexity. We also compare our simultaneous optimization results to those obtained via sequential topology and then shape optimization.

42 ENGINEERING↗
DOE OSTI2020

Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations

State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted due to the risk of "variational collapse" down to the ground state. We employ the recently developed square gradient minimization algorithm to reliably avoid variational collapse and study the effectiveness of orbital optimized density functional theory (DFT) at predicting second period element 1s core-level spectra of open-shell systems. Several density functionals (including SCAN, B3LYP, and ωB97X-D3) are found to predict excitation energies from the core to singly occupied levels with high accuracy (≤0.3 eV RMS error) against available experimental data. Higher excited states are, however, more challenging by virtue of being intrinsically multiconfigurational. We thus present a configuration interaction inspired route to self-consistently recouple single determinant mixed configurations obtained from DFT, in order to obtain approximate doublet states. This recoupling scheme is used to predict the C K-edge spectra of the allyl radical, the O K-edge spectra of CO + , and the N K-edge of NO 2 with high accuracy relative to experiment, indicating substantial promise in using this approach for the computation of core-level spectra for doublet species [vs more traditional time dependent DFT, equation of motion coupled cluster singles and doubles (EOM-CCSD), or using unrecoupled mixed configurations]. Finally, we also present general guidelines for computing core-excited states from orbital optimized DFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Numerical Methods for Large-Scale Data Factorization (Final Report (Milestone Date 9/30/11) for Subcontract No. B594099)

The following work has been performed by PI Hans De Sterck and graduate student Manda Winlaw for the required tasks 1-5 (as listed in the Statement of Work). Graduate student Manda Winlaw has visited LLNL January 31-March 11, 2011 and May 23-August 19, 2010, working with Van Henson and Mike O'Hara on non-negative matrix factorizations (NMF). She has investigated the dense subgraph clustering algorithm from 'Finding Dense Subgraphs for Sparse Undirected, Directed, and Bipartite Graphs' by Chen and Saad, testing this method on several term-document matrices and adapting it to cluster based on the rank of the subgraphs instead of the density. Manda Winlaw was awarded a first prize in the annual LLNL summer student poster competition for a poster on her NMF research. PI Hans De Sterck has developed a new adaptive algebraic multigrid algorithm for computing a few dominant or minimal singular triplets of sparse rectangular matrices. This work builds on adaptive algebraic multigrid methods that were further developed by the PI and collaborators (including Sanders and Henson) for Markov chains. The method also combines and extends existing multigrid algorithms for the symmetric eigenproblem. The PI has visited LLNL February 22-25, 2011, and has given a CASC seminar 'Algebraic Multigrid for the Singular Value Problem' on this work on February 23, 2011. During his visit, he has discussed this work and related topics with Van Henson, Geoffrey Sanders, Panayot Vassilevski, and others. He has tested the algorithm on PDE matrices and on a term-document matrix, with promising initial results. Manda Winlaw has also started to work, with O'Hara, on estimating probability distributions over undirected graph edges. The goal is to estimate probabilistic models from sets of undirected graph edges for the purpose of prediction, anomaly detection and support to supervised learning. Graduate student Manda Winlaw is writing a paper on the results obtained with O'Hara which will be submitted some time later in 2011 to a data mining conference. PI Hans De Sterck has developed a new optimization algorithm for canonical tensor approximation, formulating an extension of the nonlinear GMRES method to optimization problems. Numerical results for tensors with up to 8 modes show that this new method is efficient for sparse and dense tensors. He has written a paper on this which has been submitted to the SIAM Journal on Scientific Computing. PI Hans De Sterck has further developed his new optimization algorithm for canonical tensor approximation, formulating an extension in terms of steepest-descent preconditioning, which makes the approach generally applicable for nonlinear optimization. He has written a paper on this extension which has been submitted to Numerical Linear Algebra with Applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multi-service battery energy storage system optimization and control

Battery energy storage systems (BESS) have become fundamental part of modern power systems due to their capability to provide multiple grid services. As the renewable penetration increases, BESS procurement is also expected to increase where it is envisioned to play a systematic and strategical role in power systems planning and operation. Hence, in this paper we present a multiple grid service procurement and operation for BESS - ranging from energy arbitrage, reserve/regulation services, power factor correction, and demand management. The proposed framework considers an optimal multi-temporal dimension, designed to be operable for both planning and real-time operation. Moreover, non-linearity inherent to BESS services and uncertainty associated to market forecasts variables are addressed using techniques such as polyhedral norms and robust optimization approaches. Here, the developed model is tested using a utility-scaled BESS and the obtained results show the effectiveness of the systematic BESS multi-service planning and operation approach.

25 ENERGY STORAGE↗
DOE OSTI2024

A mixed integer linear programming approach for the design of chemical process families

Tackling climate change goals requires widespread deployment of process technology variants across many decentralized sites with different geographical, environmental, and operational requirements. Conventional engineering approaches focus on unique designs for each installation (process variant), while missing opportunities for manufacturing standardization. Here, instead we seek to optimize a process platform of common unit designs while simultaneously designing an entire family of process variants that make use of that platform. This reduces engineering effort, deployment timelines, and manufacturing costs. We propose a nonlinear generalized disjunctive programming formulation and convert this to an efficient mixed-integer linear programming (MILP) formulation through discretization of the design space. We formulate our optimization in Pyomo with costing from IDAES, and we demonstrate the computational performance and solution quality on a water treatment desalination system from the PARETO framework and a carbon capture system built in Aspen Plus as part of CCSI2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗