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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 325 records · Page 18

SSD-optimized workload placement with adaptive learning and classification in HPC environments

In recent years, non-volatile memory devices such as SSD drives have emerged as a viable storage solution due to their increasing capacity and decreasing cost. Due to the unique capability and capacity requirements in large scale HPC (High Performance Computing) storage environment, a hybrid configuration (SSD and HDD) may represent one of the most available and balanced solutions considering the cost and performance. Under this setting, effective data placement as well as movement with controlled overhead become a pressing challenge. In this paper, we propose an integrated object placement and movement framework and adaptive learning algorithms to address these issues. Specifically, we present a method that shuffle data objects across storage tiers to optimize the data access performance. The method also integrates an adaptive learning algorithm where realtime classification is employed to predict the popularity of data object accesses, so that they can be placed on, or migrate between SSD or HDD drives in the most efficient manner. We discuss preliminary results based on this approach using a simulator we developed to show that the proposed methods can dynamically adapt storage placements and access pattern as workloads evolve to achieve the best system level performance such as throughput.

Wan, Lipeng↗

An Augmented Lagrangian Filter Method for Real-Time Embedded Optimization

We present a filter line-search algorithm for nonconvex continuous optimization that combines an augmented Lagrangian function and a constraint violation metric to accept and reject steps. The approach is motivated by real-time optimization applications that need to be executed on embedded computing platforms with limited memory and processor speeds. The proposed method enables primal–dual regularization of the linear algebra system that in turn permits the use of solution strategies with lower computing overheads. We prove that the proposed algorithm is globally convergent and we demonstrate the developments using a nonconvex real-time optimization application for a building heating, ventilation, and air conditioning system. Our numerical tests are performed on a standard processor and on an embedded platform. Lastly, we demonstrate that the approach reduces solution times by a factor of over 1000.

97 MATHEMATICS AND COMPUTING↗

Consistent Space Runtime (CSPACER) v1.0

This software provides a runtime for communication-bound applications, especially with irregular communication patterns. The target programming abstraction for the runtime is the space consistency model, which defines consistency guarantees at the granularity of memory spaces. This model has relaxed consistency semantics that enables a wide range of runtime optimizations. The runtime leverages threading to accelerate communication primitives, especially collective operations. It also allows efficient pipelining of communication operations and enable constructing a consistent state of multiple unordered communication activities targeting a memory space. The runtime uses a reduced API design that decomposes complex communication primitives in traditional general-purpose runtime into a sequence of simpler steps. To improve the productivity of using this runtime, we provide communication patterns commonly used for regular scientific computing applications and irregular data analytics. These communication patterns offer skeletons for the integration with application computation to allow efficient overlap.

Ibrahim, Khaled↗

TH-A-19A-12: A GPU-Accelerated and Monte Carlo-Based Intensity Modulated Proton Therapy Optimization System

Purpose: To develop a clinically applicable intensity modulated proton therapy (IMPT) optimization system that utilizes more accurate Monte Carlo (MC) dose calculation, rather than analytical dose calculation. Methods: A very fast in-house graphics processing unit (GPU) based MC dose calculation engine was employed to generate the dose influence map for each proton spot. With the MC generated influence map, a modified gradient based optimization method was used to achieve the desired dose volume histograms (DVH). The intrinsic CT image resolution was adopted for voxelization in simulation and optimization to preserve the spatial resolution. The optimizations were computed on a multi-GPU framework to mitigate the memory limitation issues for the large dose influence maps that Result from maintaining the intrinsic CT resolution and large number of proton spots. The dose effects were studied particularly in cases with heterogeneous materials in comparison with the commercial treatment planning system (TPS). Results: For a relatively large and complex three-field bi-lateral head and neck case (i.e. >100K spots with a target volume of ∼1000 cc and multiple surrounding critical structures), the optimization together with the initial MC dose influence map calculation can be done in a clinically viable time frame (i.e. less than 15 minutes) on a GPU cluster consisting of 24 Nvidia GeForce GTX Titan cards. The DVHs of the MC TPS plan compare favorably with those of a commercial treatment planning system. Conclusion: A GPU accelerated and MC-based IMPT optimization system was developed. The dose calculation and plan optimization can be performed in less than 15 minutes on a hardware system costing less than 45,000 dollars. The fast calculation and optimization makes the system easily expandable to robust and multi-criteria optimization. This work was funded in part by a grant from Varian Medical Systems, Inc.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Using Likwid and Byfl to Benchmark Hardware Performance

This paper outlines a benchmarking study conducted during my internship at LANL, focusing on CPU (Computer Processing Unit) and program performance assessment. The primary goal was to gather memory access data using three methods across five polybench kernels The data gathered would then be used to compare and contrast to one another and calculate operational intensity for performance comparisons. Benchmarking tools like Byfl and Likwid were employed, with Byfl offering hardware-independent data through LLVM compiler communication and Likwid directly interacting with computer hardware. The study considered various benchmarking factors, including optimization levels, Big O notation ((n)), CPU diversity and specific kernel equations. Big O notation was utilized to simplify code complexity, with detailed breakdwons of operations and memory components for each polybench application. Specific O(n) equations enabled nuanced kernel compariosns, facilitating the identification of performance variations. CPU efficiency assessments were conducted using Likwid tests on two CPUs. The central focus on code optimization aimed at achieving higher speeds and reduced memory usage through streamlined code. Future work propsoes creating a roofline model, synthesizing benchmarking data into a comprehensive data graph to assist in optimizing code and improving hardware performance. The potential impact on the laboratory or national mission was underscored, emphasizing the importance of optimizing applications and hardware to conserve resources and accelerate program execution. The specific relevance to LANL’s operations in math-intensive fields such as Nuclear Fission, Space Exploration, and Nanotechnology highlights the necessity of efficient benchmarking for resource conservation and proram speed. Overall, this study contributes to the understanding of CPU and program performance, providing insights for future optimization efforts in a laboratory setting

97 MATHEMATICS AND COMPUTING↗

Large-Scale Optimization with Linear Equality Constraints Using Reduced Compact Representation

For optimization problems with linear equality constraints, we prove that the (1,1) block of the inverse KKT matrix remains unchanged when projected onto the nullspace of the constraint matrix. In this work, we develop reduced compact representations of the limited-memory inverse BFGS Hessian to compute search directions efficiently when the constraint Jacobian is sparse. Orthogonal projections are implemented by a sparse QR factorization or a preconditioned LSQR iteration. In numerical experiments two proposed trust-region algorithms improve in computation times, often significantly, compared to previous implementations of related algorithms and compared to IPOPT.

97 MATHEMATICS AND COMPUTING↗

System, methods and apparatus for program optimization for multi-threaded processor architectures

Methods, apparatus and computer software product for source code optimization are provided. In an exemplary embodiment, a first custom computing apparatus is used to optimize the execution of source code on a second computing apparatus. In this embodiment, the first custom computing apparatus contains a memory, a storage medium and at least one processor with at least one multi-stage execution unit. The second computing apparatus contains at least two multi-stage execution units that allow for parallel execution of tasks. The first custom computing apparatus optimizes the code for parallelism, locality of operations and contiguity of memory accesses on the second computing apparatus. This Abstract is provided for the sole purpose of complying with the Abstract requirement rules. This Abstract is submitted with the explicit understanding that it will not be used to interpret or to limit the scope or the meaning of the claims.

42 ENGINEERING↗

Improvements, enhancements, and optimizations of COBRA-TF

The Reactor Dynamics and Fuel Management Group (RDFMG) at The Pennsylvania State University (PSU) has become active in the Consortium for Advanced Simulation of Light Water Reactors (CASL) program by delivering, supporting, and further developing CTF, the PSU version of the Coolant Boiling in Rod Arrays - Two Fluids (COBRA-TF) Thermal/Hydraulic (T/H), sub-channel program. New development work on CTF was primarily geared towards decreasing the execution time of the code so that it may eventually be used for performing pin-by-pin, full-core simulations. Great gains have been made through targeting sections of source code for optimization. For example, wall clock time has been reduced for a one-assembly, three-dimensional model, containing {approx}9,400 mesh cells, from 9.2 min to 1 min. A further improvement has been reduction in code memory usage, which was previously prohibitive for large models. In conjunction with the run time speedups, this has enabled the simulation of a refined quarter-core model ({approx}460,000 mesh cells), which saw a reduction in memory usage from over 130 GB to less than 3 GB. In addition to the optimization work, RDFMG has also created a preprocessor utility for the fast and less error-prone generation of CTF input decks. Furthermore, basic post-processing capabilities have been implemented by creating a CTF subroutine for producing Visualization Tool-Kit (VTK) files that output mesh data and associated simulation results. These VTK files can be opened with visualization software. (authors)

97 MATHEMATICS AND COMPUTING↗

Efficient optimization method for finding minimum energy paths of magnetic transitions

Here, efficient algorithms for the calculation of minimum energy paths of magnetic transitions are implemented within the geodesic nudged elastic band (GNEB) approach. While an objective function is not available for GNEB and a traditional line search can, therefore, not be performed, the use of limited memory Broyden–Fletcher–Goldfarb–Shanno (LBFGS) and conjugate gradient algorithms in conjunction with orthogonal spin optimization (OSO) approach is shown to greatly outperform the previously used velocity projection and dissipative Landau–Lifschitz dynamics optimization methods. The implementation makes use of energy weighted springs for the distribution of the discretization points along the path and this is found to improve performance significantly. The various methods are applied to several test problems using a Heisenberg-type Hamiltonian, extended in some cases to include Dzyaloshinskii–Moriya and exchange interactions beyond nearest neighbours. Minimum energy paths are found for magnetization reversals in a nano-island, collapse of skyrmions in two-dimensional layers and annihilation of a chiral bobber near the surface of a three-dimensional magnet. The LBFGS-OSO method is found to outperform the dynamics based approaches by up to a factor of 8 in some cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

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↗

Patch2Self2: Self-supervised Denoising on Coresets via Matrix Sketching

Diffusion MRI (dMRI) non-invasively maps brain white matter yet necessitates denoising due to low signal-to-noise ratios. Patch2Self (P2S) employing self-supervised techniques and regression on a Casorati matrix effectively denoises dMRI images and has become the new de-facto standard in this field. P2S however is resource intensive both in terms of running time and memory usage as it uses all voxels (n) from all-but-one held-in volumes (d-1) to learn a linear mapping Phi : \mathbb R ^ n x(d-1) \mapsto \mathbb R ^ n for denoising the held-out volume. The increasing size and dimensionality of higher resolution dMRI acquisitions can make P2S infeasible for large-scale analyses. This work exploits the redundancy imposed by P2S to alleviate its performance issues and inspect regions that influence the noise disproportionately. Specifically this study makes a three-fold contribution: (1) We present Patch2Self2 (P2S2) a method that uses matrix sketching to perform self-supervised denoising. By solving a sub-problem on a smaller sub-space so called coreset we show how P2S2 can yield a significant speedup in training time while using less memory. (2) We present a theoretical analysis of P2S2 focusing on determining the optimal sketch size through rank estimation a key step in achieving a balance between denoising accuracy and computational efficiency. (3) We show how the so-called statistical leverage scores can be used to interpret the denoising of dMRI data a process that was traditionally treated as a black-box. Experimental results on both simulated and real data affirm that P2S2 maintains denoising quality while significantly enhancing speed and memory efficiency achieved by training on a reduced data subset.

Fadnavis, Shreyas↗

Parallel DTFE Surface Density Field Reconstruction

We improve the interpolation accuracy and efficiency of the Delaunay tessellation field estimator (DTFE) for surface density field reconstruction by proposing an algorithm that takes advantage of the adaptive triangular mesh for line-of-sight integration. The costly computation of an intermediate 3D grid is completely avoided by our method and only optimally chosen interpolation points are computed, thus, the overall computational cost is significantly reduced. The algorithm is implemented as a parallel shared-memory kernel for large-scale grid rendered field reconstructions in our distributed-memory framework designed for N-body gravitational lensing simulations in large volumes. We also introduce a load balancing scheme to optimize the efficiency of processing a large number of field reconstructions. Our results show our kernel outperforms existing software packages for volume weighted density field reconstruction, achieving ~ 10x speedup, and our load balancing algorithm gains an additional ~ 3.6x speedup at scales with ~ 16k processes.

97 MATHEMATICS AND COMPUTING↗

An Evaluation of OpenSHMEM Interfaces for the Variable-Length Alltoallv() Collective Operation, In: OpenSHMEM and Related Technologies. Experiences, Implementations, and Technologies

Alltoallv() is a collective operation which allows all processes to exchange variable amounts of data with all other processes in the communication group. This means that Alltoallv() requires not only O(N2) communications, but typically also additional exchanges of the data lengths that will be transmitted in the eventual Alltoallv() call. This pre-exchange is used to calculate the proper offsets for the receiving buffers on the target processes. However, we propose two new candidate interfaces for Alltoallv() that would mitigate the need for the user to set up this extra exchange of information at the possible cost of memory efficiency. We explain the new interface variants and show how a single call can be used in place of the traditional Alltoall()/ Alltoallv() pair. We then discuss the performance tradeoffs for overall communication and memory costs, as well as both software and hardware-based optimizations and their applicability to the various proposed interfaces.

Computer Science↗

Nanoscale Size Effects on Push–Pull Fe–O Hybridization through the Multiferroic Transition of Perovskite ϵ-Fe 2 O 3

Multiferroics have tremendous potential to revolutionize logic and memory devices through new functionalities and energy efficiencies. To reach their optimal capabilities will require better understanding and enhancement of the ferroic orders and couplings. In this work, we use ϵ-Fe 2 O 3 as a model system with a simplifying single magnetic ion. Using 15, 20, and 30 nm nanoparticles, we identify that a modified and size-dependent Fe–O hybridization changes the spin–orbit coupling and strengthens it via longer octahedra chains. Fe–O hybridization is modified through the incommensurate phase, with a unique two-step rearrangement of the electronic environment through this transition with attraction and then repulsion of electrons around tetrahedral Fe. Interestingly, size effects disappear in the high-temperature phase where the strongest Fe–O hybridization occurs. By manipulating this hybridization, we tune and control the multiferroic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Pre-training Vision Models for the Classification of Alerts from Wide-field Time-domain Surveys

Modern wide-field time-domain surveys facilitate the study of transient, variable and moving phenomena by conducting image differencing and relaying alerts to their communities. Machine learning tools have been used on data from these surveys and their precursors for more than a decade, and convolutional neural networks (CNNs), which make predictions directly from input images, saw particularly broad adoption through the 2010s. Since then, continually rapid advances in computer vision have transformed the standard practices around using such models. It is now commonplace to use standardized architectures pre-trained on large corpora of everyday images (e.g., ImageNet). In contrast, time-domain astronomy studies still typically design custom CNN architectures and train them from scratch. Here, we explore the effects of adopting various pre-training regimens and standardized model architectures on the performance of alert classification. We find that the resulting models match or outperform a custom, specialized CNN like what is typically used for filtering alerts. Moreover, our results show that pre-training on galaxy images from Galaxy Zoo tends to yield better performance than pre-training on ImageNet or training from scratch. We observe that the design of standardized architectures are much better optimized than the custom CNN baseline, requiring significantly less time and memory for inference despite having more trainable parameters. On the eve of the Legacy Survey of Space and Time and other image-differencing surveys, these findings advocate for a paradigm shift in the creation of vision models for alerts, demonstrating that greater performance and efficiency, in time and in data, can be achieved by adopting the latest practices from the computer vision field.

79 ASTRONOMY AND ASTROPHYSICS↗

An Evaluation of OpenSHMEM Interfaces for the Variable-length Alltoallv() Collective Operation

Alltoallv() is a collective operation which allows all pro- cesses to exchange variable amounts of data with all other processes in the communication group. This means that Alltoallv() requires not only O(N2) communications, but typically also additional exchanges of the data lengths that will be transmitted in the eventual Alltoallv() call. This pre-exchange is used to calculate the proper offsets for the re- ceiving buffers on the target processes. However, we propose two new can- didate interfaces for Alltoallv() that would mitigate the need for the user to set up this extra exchange of information at the possible cost of memory efficiency. We explain the new interface variants and show how a single call can be used in place of the traditional Alltoall()/Alltoallv() pair. We then discuss the performance tradeoffs for overall communica- tion and memory costs, as well as both software and hardware-based optimizations and their applicability to the various proposed interfaces.

Lopez, Matthew Graham↗

Stochastic bifurcation and fractal and chaos control of a giant magnetostrictive film-shape memory alloy composite cantilever plate subjected to in-plane harmonic and stochastic excitation

Stochastic bifurcation and fractal and chaos control of a giant magnetostrictive film–shape memory alloy (GMF–SMA) composite cantilever plate subjected to in-plane harmonic and stochastic excitation were studied. Van der Pol items were improved to interpret the hysteretic phenomena of both GMF and SMA, and the nonlinear dynamic model of a GMF–SMA composite cantilever plate subjected to in-plane harmonic and stochastic excitation was developed. The probability density function of the dynamic response of the system was obtained, and the conditions of stochastic Hopf bifurcation were analyzed. The conditions of noise-induced chaotic response were obtained in the stochastic Melnikov integral method, and the fractal boundary of the safe basin of the system was provided. Finally, the chaos control strategy was proposed in the stochastic dynamic programming method. Numerical simulation shows that stochastic Hopf bifurcation and chaos appear in the parameter variation process. The boundary of the safe basin of the system has fractal characteristics, and its area decreases when the noise intensifies. The system reliability was improved through stochastic optimal control, and the safe basin area of the system increased.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

LLRF System Analysis for the Fermilab PIP-II LINAC

Developing long-lived quantum processing units (QPUs) capable of supporting high-fidelity quantum operations is a crucial challenge on the path toward fault-tolerant quantum computing. TESLA-shaped superconducting RF (SRF) cavities, known for photon relaxation times on the order of seconds, provide an excellent foundation for 3D QPUs and quantum memory. This talk presents a novel design that leverages TESLA cavity modes coupled to ancillary transmon qubits, optimized to preserve coherence and control. By carefully engineering the package geometry, optimizing Hamiltonian parameters, and minimizing lossy participation ratios, we achieve photon relaxation times of over 16 ms and 20 ms for the two cavity modes, representing a significant improvement over previous multimode quantum memories. Despite the reduced coupling between the qubit and cavity modes, which is necessary to preserve long lifetimes, the platform supports robust and universal control schemes that are not limited by low coupling strength. We will also discuss how this architecture can lead to scalable, modular quantum computing systems.

Varghese, P. [Fermilab]↗