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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 55 records · Page 3

Commissioning of the Mu2e tracker DAQ, planning for the Vertical Slice Test and pre-pattern recognition studies

The primary objective of the Mu2e experiment at Fermilab is to search for the neutrino-less coherent $\mu \rightarrow e$ conversion in the field of an aluminum nucleus ($\mu^- \text{Al} \rightarrow e^- \text{Al}$). The signature of this process is a monochromatic Conversion Electron (CE) with an energy of approximately 104.97 MeV \cite{bartoszek2015mu2e}. Within the Standard Model (SM), the branching ratio for this process, including neutrino masses and oscillation, is expected to be less than $\mathcal{O}(10^{-50})$. This value is far beyond current experimental capabilities. However, models of physics beyond the SM predict much higher relative rates, approaching an observable level. The SINDRUM II experiment set an upper limit on muon conversion at $7 \times 10^{-13}$ (90\% CL) on Au target \cite{SINDRUMII:2006dvw}, and the Mu2e collaboration aims to improve this limit by four orders of magnitude. Observing this process would provide a clear evidence of physics beyond the Standard Model. A brief discussion of the theoretical and experimental aspects is provided in Chapter \ref{intr}. Mu2e adopts a sophisticated experimental setup to achieve its goals, further described in Chapter \ref{mu2echapter}. The central part of the Mu2e detector is the tracker, that consists of 18 tracking stations. The tracker must provide excellent momentum resolution, approximately 1 MeV/c, to distinguish the monochromatic CE signal from the background. To minimize the energy losses, a straw tube tracker will be used \cite{bobbb}. Chapter \ref{chaptertrk} provides an overview of the straw tracker design and its working principles. This Thesis presents a comprehensive study of the Mu2e tracker, covering complementary aspects from initial commissioning to optimization and first steps of the calibration processes. My work at Fermilab has been focused on the complete Data Acquisition (DAQ) testing from both hardware and software perspectives. I was involved in the commissioning of the Mu2e DAQ system and the Vertical Slice Test (VST) of the tracker. The VST encompasses the entire testing chain, from the straws to the readout, and to processed data on disk. I was also focused on the offline analysis, especially on pre-pattern recognition studies, to explore the best methods for identifying $\delta$-electrons during the data taking. Chapter \ref{commissioning} details the commissioning of the tracker DAQ system, emphasizing the importance of understanding of the readout process before the data acquisition. This includes validating the readout logic and firmware through Monte Carlo simulations to confirm functionality and buffering, monitoring the quality of the data from the tracker preamplifiers and front-end electronics, and assessing overall DAQ performance to ensure reliability during future calibration and data-taking. Chapter \ref{planning} discusses the initial steps towards the tracker calibration. The ultimate goal is to perform a time calibration of the first assembled station of the tracker using cosmic muons, aiming for a longitudinal hit position resolution better than 4 cm. This involves determining the signal propagation times and channel-to-channel delays. I performed a Monte Carlo study to determine the impact of the station orientation on the quality of the calibration, in particular on the cosmic track reconstruction, focusing on potential biases that could arise. These studies provide essential insights into the operation, optimization, and calibration of the Mu2e tracker system. Given the high data volume expected during Mu2e operations, estimated at approximately 7 PBytes per year, optimizing memory usage and minimizing CPU consumption are critical. A significant challenge lies in effectively flagging $\delta$-electron hits, which are the primary source of hits in the tracker, without compromising the efficiency of CE hit detection and track reconstruction. A detailed study of pre-pattern recognition and a thorough comparison of two $\delta$-electron flagging algorithms is provided in Chapter \ref{delta}. In Chapter \ref{conclusions}, the findings are concisely summarized, offering a comprehensive synthesis of the research and emphasizing the key insights derived from this study.

43 PARTICLE ACCELERATORS↗

Recall Performance for Content-Addressable Memory Using Adiabatic Quantum Optimization

A content-addressable memory (CAM) stores key-value associations such that the key is recalled by providing its associated value. While CAM recall is traditionally performed using recurrent neural network models, we show how to solve this problem using adiabatic quantum optimization. Our approach maps the recurrent neural network to a commercially available quantum processing unit by taking advantage of the common underlying Ising spin model. We then assess the accuracy of the quantum processor to store key-value associations by quantifying recall performance against an ensemble of problem sets. We observe that different learning rules from the neural network community influence recall accuracy but performance appears to be limited by potential noise in the processor. The strong connection established between quantum processors and neural network problems supports the growing intersection of these two ideas.

97 MATHEMATICS AND COMPUTING↗

Adiabatic quantum optimization for associative memory recall

Hopfield networks are a variant of associative memory that recall patterns stored in the couplings of an Ising model. Stored memories are conventionally accessed as fixed points in the network dynamics that correspond to energetic minima of the spin state. We show that memories stored in a Hopfield network may also be recalled by energy minimization using adiabatic quantum optimization (AQO). Numerical simulations of the underlying quantum dynamics allow us to quantify AQO recall accuracy with respect to the number of stored memories and noise in the input key. We investigate AQO performance with respect to how memories are stored in the Ising model according to different learning rules. Our results demonstrate that AQO recall accuracy varies strongly with learning rule, a behavior that is attributed to differences in energy landscapes. Consequently, learning rules offer a family of methods for programming adiabatic quantum optimization that we expect to be useful for characterizing AQO performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Strategic priming with multiple antigens can yield memory cell phenotypes optimized for infection with Mycobacterium tuberculosis : A computational study

Lack of an effective vaccine results in 9 million new cases of tuberculosis (TB) every year and 1.8 million deaths worldwide. While many infants are vaccinated at birth with BCG (an attenuated M. bovis ), this does not prevent infection or development of TB after childhood. Immune responses necessary for prevention of infection or disease are still unknown, making development of effective vaccines against TB challenging. Several new vaccines are ready for human clinical trials, but these trials are difficult and expensive; especially challenging is determining the appropriate cellular response necessary for protection. The magnitude of an immune response is likely key to generating a successful vaccine. Characteristics such as numbers of central memory (CM) and effector memory (EM) T cells responsive to a diverse set of epitopes are also correlated with protection. Promising vaccines against TB contain mycobacterial subunit antigens (Ag) present during both active and latent infection. We hypothesize that protection against different key immunodominant antigens could require a vaccine that produces different levels of EM and CM for each Ag-specific memory population. We created a computational model to explore EM and CM values, and their ratio, within what we term Memory Design Space. Our model captures events involved in T cell priming within lymph nodes and tracks their circulation through blood to peripheral tissues. We used the model to test whether multiple Ag-specific memory cell populations could be generated with distinct locations within Memory Design Space at a specific time point post vaccination. Boosting can further shift memory populations to memory cell ratios unreachable by initial priming events. By strategically varying antigen load, properties of cellular interactions within the LN, and delivery parameters (e.g., number of boosts) of multi-subunit vaccines, we can generate multiple Ag-specific memory populations that cover a wide range of Memory Design Space. As a result, given a set of desired characteristics for Ag-specific memory populations, we can use our model as a tool to predict vaccine formulations that will generate those populations.

59 BASIC BIOLOGICAL SCIENCES↗

arco (Assembled Resource-Constrained Optimization) [SWR-26-030]

Arco (Assembled Resource-Constrained Optimization) is a memory-smart optimization DSL and solver for LP and MIP problems on constrained hardware. The software is an optimization framework built around a KDL-based domain-specific language and a CLI compiler/solver. You write optimization models in .kdl files, and the arco CLI compiles, validates, inspects, and solves them. Language bindings (Python today, more planned) provide programmatic access to the same engine. Built for harder optimization problems on constrained resources, Arco is intentional about every allocation, careful with stack and heap behavior, and relentless about minimizing memory usage so more systems can run real workloads. Arco is built primarily for internal use within our organization. You are welcome to try it, but we make no guarantees about API stability or robustness at this stage

Sanchez Perez, Pedro Andres [National Laboratory o↗

Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications

Optimization of materials’ performance for specific applications often requires balancing multiple aspects of materials’ functionality. Even for the cases where a generative physical model of material behavior is known and reliable, this often requires search over multidimensional function space to identify low-dimensional manifold corresponding to the required Pareto front. In this work, we introduce the multi-objective Bayesian optimization (MOBO) workflow for the ferroelectric/antiferroelectric performance optimization for memory and energy storage applications based on the numerical solution of the Ginzburg–Landau equation with electrochemical or semiconducting boundary conditions. MOBO is a low computational cost optimization tool for expensive multi-objective functions, where we update posterior surrogate Gaussian process models from prior evaluations and then select future evaluations from maximizing an acquisition function. Using the parameters for a prototype bulk antiferroelectric (PbZrO 3 ), we first develop a physics-driven decision tree of target functions from the loop structures. We further develop a physics-driven MOBO architecture to explore multidimensional parameter space and build Pareto-frontiers by maximizing two target functions jointly—energy storage and loss. This approach allows for rapid initial materials and device parameter selection for a given application and can be further expanded toward the active experiment setting. The associated notebooks provide both the tutorial on MOBO and allow us to reproduce the reported analyses and apply them to other systems (https://github.com/arpanbiswas52/MOBO_AFI_Supplements).

36 MATERIALS SCIENCE↗

Optimal strategies for optical quantum memories using long-lived noble-gas spins

Nuclear spins of noble gases exhibit exceptionally long coherence times and can potentially serve as a long-lived storage medium for quantum information. We analyze and compare the performance of two mechanisms for mapping the quantum state of light onto the collective spin state of noble gases. The first mechanism utilizes collisional exchange with the electronic spin state of metastable noble-gas atoms, while the second relies on spin-exchange collisions with ground-state alkali-metal atoms. We describe the operation of an optical quantum memory relying on these two mechanisms using a compact model and study strategies that optimize the memory storage efficiency. Through numerical simulations, we identify optimal sequences for storing optical signals with different signal bandwidths and electronic spin relaxation rates. This work highlights the qualitative difference between the two approaches for using noble gases as long-lived quantum memories at noncryogenic conditions and outlines the regimes in which they are expected to be efficient.

atomic ensemble↗

Parameter optimization for transitions between memory states in small arrays of Josephson junctions

Coupled arrays of Josephson junctions possess multiple stable zero voltage states. Such states can store information and consequently can be utilized for cryogenic memory applications. Basic memory operations can be implemented by sending a pulse to one of the junctions and studying transitions between the states. In order to be suitable for memory operations, such transitions between the states have to be fast and energy efficient. Here in this article we employed simulated annealing, a stochastic optimization algorithm, to study parameter optimization of array parameters which minimizes times and energies of transitions between specifically chosen states that can be utilized for memory operations (Read, Write, and Reset). Simulation results show that such transitions occur with access times on the order of 10–100 ps and access energies on the order of 10 -19 –5×10 -18 J. Numerical simulations are validated with approximate analytical results.

97 MATHEMATICS AND COMPUTING↗

Flexible optimized data handling in systems with multiple memories

Methods and systems for optimizing an application for a computing system having multiple distinct memory locations that are interconnected by one or more communication channels include determining one or more data handling properties for a data region in an application. One or more data handling policies for the data region are determined based on the one or more data handling properties. Data setup costs are determined for a scope in the application that uses the data region in different memory locations based on the one or more data handling properties. The application is optimized in accordance with the one or more data handling policies and the data setup costs for the different memory locations.

Chen, Tong↗

Flexible optimized data handling in systems with multiple memories

Methods and systems for optimizing an application for a computing system having multiple distinct memory locations that are interconnected by one or more communication channels include determining one or more data handling properties for a data region in an application. One or more data handling policies for the data region are determined based on the one or more data handling properties. Data setup costs are determined for a scope in the application that uses the data region in different memory locations based on the one or more data handling properties. The application is optimized in accordance with the one or more data handling policies and the data setup costs for the different memory locations.

Chen, Tong↗

Memory-efficient nonsmooth dynamic optimization using adaptive randomized compression

Dynamic optimization problems arise in many applications including flow control, full waveform inversion, and medical imaging. These problems are plagued by significant computational challenges. One such challenge — and the focus of this work — is the memory limitation induced by the size of the underlying dynamical system. In particular, the entire dynamic trajectory is required for derivative computation and therefore must be stored or recomputed using, e.g., checkpointing. Although recent work demonstrated the use of adaptive randomized sketching to overcome the memory challenge, that work only applies to smooth unconstrained problems, prohibiting its use for nonsmooth regularized and constrained problems. The inclusion of nonsmooth regularizers and constraints is critical as they often arise in an attempt to preserve certain physical properties or to promote sparsity. To solve these problems, we introduce a trust-region algorithm for minimizing the sum of a smooth nonconvex function and a nonsmooth convex function that leverages randomized sketching to compress the dynamical system trajectories and adaptively adjust the sketch rank to satisfy a gradient inexactness condition. We prove convergence of this algorithm and demonstrate that it achieves substantial memory reduction on three discretized PDE-constrained optimization applications.

97 MATHEMATICS AND COMPUTING↗

TUNE: Compiler-Directed Automatic Performance Tuning

This project has developed compiler-directed performance tuning technology targeting the Cray XT4 Jaguar system at Oak Ridge, which has multi-core Opteron nodes with SSE-3 SIMD extensions, and the Cray XE6 Hopper system at NERSC. To achieve this goal, we combined compiler technology for model-guided empirical optimization for memory hierarchies with SIMD code generation, which have been developed by the PIs over the past several years. We examined DOE Office of Science applications to identify performance bottlenecks and apply our system to computational kernels that operate on dense arrays. Our goal for this performance-tuning technology has been to yield hand-tuned levels of performance on DOE Office of Science computational kernels, while allowing application programmers to specify their computations at a high level without requiring manual optimization. Overall, we aim to make our technology for SIMD code generation and memory hierarchy optimization a crucial component of high-productivity Petaflops computing through a close collaboration with the scientists in national laboratories.

97 MATHEMATICS AND COMPUTING↗

Linear optimal power flow system and method

An electric power system or power grid is optimized using a computer-implemented tool the represents in computer memory the optimization function and at least one constraint, which the processor operates upon using a linear programming solver algorithm. The constraints are represented in memory as data structures that include both real and reactive power terms, corresponding to at least one of a power flow model and a transmission line model. The transmission line model is represented using a piecewise linear representation. The power flow model may also include for each node in the power system a real power loss term representing transmission line loss allocated to that node.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Optimizing fusion PIC code performance at scale on Cori Phase 2

In this paper we present the results of optimizing the performance of the gyrokinetic full-f fusion PIC code XGC1 on the Cori Phase Two Knights Landing system. The code has undergone substantial development to enable the use of vector instructions in its most expensive kernels within the NERSC Exascale Science Applications Program. We study the single-node performance of the code on an absolute scale using the roofline methodology to guide optimization efforts. We have obtained 2x speedups in single node performance due to enabling vectorization and performing memory layout optimizations. On multiple nodes, the code is shown to scale well up to 4000 nodes, near half the size of the machine. We discuss some communication bottlenecks that were identified and resolved during the work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.

97 MATHEMATICS AND COMPUTING↗

Cross-scale Efficient Tensor Contractions for Coupled Cluster Computations Through Multiple Programming Model Backends

Coupled-cluster methods provide highly accurate models of molecular structure by explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix-matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts to extend the Libtensor framework to work in the distributed memory environment in a scalable and energy efficient manner. We achieve up to 240 speedup compared with the best optimized shared memory implementation. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures, (Cray XC30&XC40, BlueGene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance. Nevertheless, we preserve a uni ed interface to both programming models to maintain the productivity of computational quantum chemists.

74 ATOMIC AND MOLECULAR PHYSICS↗