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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 559 records · Page 31

An Image-Plane Approach to Gravitational Lens Modeling of Interferometric Data

Strong gravitational lensing acts as a cosmic telescope, enabling the study of the high-redshift universe. Astronomical interferometers, such as the Atacama Large Millimeter/submillimeter Array (ALMA), have provided high-resolution images of strongly lensed sources at millimeter and submillimeter wavelengths. To model the mass and light distributions of lensing and source galaxies from strongly lensed images, strong lens modeling for interferometric observations is conventionally performed in the visibility space, which is computationally expensive. In this paper, we implement an image-plane lens modeling methodology for interferometric dirty images by accounting for noise correlations. We show that the image-plane likelihood function produces accurate model values when tested on simulated ALMA observations with an ensemble of noise realizations. We also apply our technique to ALMA observations of two sources selected from the South Pole Telescope survey, comparing our results with previous visibility-based models. Our model results are consistent with previous models for both parametric and pixelated source-plane reconstructions. We implement this methodology for interferometric lens modeling in the open-source software package lenstronomy.

Zhang, Nan [Illinois U., Urbana (main)] (ORCID:000↗

Scalable self attraction and loading calculations for unstructured ocean tide models

Self attraction and earth-loading effects are important for accurately modeling global tides. A common approach of handling this forcing is to expand mass anomalies into spherical harmonics, which are scaled by load Love numbers to account for elastic earth deformation. We investigate two different approaches to perform these calculations for ocean models that employ unstructured meshes and distributed memory parallelization. The first approach leverages a highly efficient spherical harmonics library, but requires all-to-one and one-to-all communications and interpolation operations between the unstructured and a structured mesh. This approach is compared to a parallel algorithm that computes the spherical harmonic transformations directly on the unstructured mesh with an all-reduce communication. Here, our results show that although the unstructured mesh calculations are more expensive, the scalability of the unstructured mesh approach allows for more efficient spherical harmonics transforms for high-resolution meshes and large processor counts. This methodology enables the efficient inclusion of tidal dynamics large-scale Earth system model simulations.

54 ENVIRONMENTAL SCIENCES↗

Scalable Volume Visualization for Big Scientific Data Modeled by Functional Approximation

Considering the challenges posed by the space and time complexities in handling extensive scientific volumetric data, various data representations have been developed for the analysis of large-scale scientific data. Multivariate functional approximation (MFA) is an innovative data model designed to tackle substantial challenges in scientific data analysis. It computes values and derivatives with high-order accuracy throughout the spatial domain, mitigating artifacts associated with zero- or first-order interpolation. However, the slow query time through MFA makes it less suitable for interactively visualizing a large MFA model. In this work, we develop the first scalable interactive volume visualization pipeline, MFA-DVV, for the MFA model encoded from large-scale datasets. Our method achieves low input latency through distributed architecture, and its performance can be further enhanced by utilizing a compressed MFA model while still maintaining a high-quality rendering result for scientific datasets. We conduct comprehensive experiments to show that MFA-DVV can decrease the input latency and achieve superior visualization results for big scientific data compared with existing approaches.

big scientific dataset↗

Combined Numerical/Analytical Perturbation Solutions of the Navier-Stokes Equations for Aerodynamic Ejector/Mixer Nozzle Flows

In spite of rapid advances in both scalar and parallel computational tools, the large number of variables involved in both design and inverse problems make the use of sophisticated fluid flow models impractical, With this restriction, it is concluded that an important family of methods for mathematical/computational development are reduced or approximate fluid flow models. In this study a combined perturbation/numerical modeling methodology is developed which provides a rigorously derived family of solutions. The mathematical model is computationally more efficient than classical boundary layer but provides important two-dimensional information not available using quasi-1-d approaches. An additional strength of the current methodology is its ability to locally predict static pressure fields in a manner analogous to more sophisticated parabolized Navier Stokes (PNS) formulations. To resolve singular behavior, the model utilizes classical analytical solution techniques. Hence, analytical methods have been combined with efficient numerical methods to yield an efficient hybrid fluid flow model. In particular, the main objective of this research has been to develop a system of analytical and numerical ejector/mixer nozzle models, which require minimal empirical input. A computer code, DREA Differential Reduced Ejector/mixer Analysis has been developed with the ability to run sufficiently fast so that it may be used either as a subroutine or called by an design optimization routine. Models are of direct use to the High Speed Civil Transport Program (a joint government/industry project seeking to develop an economically.viable U.S. commercial supersonic transport vehicle) and are currently being adopted by both NASA and industry. Experimental validation of these models is provided by comparison to results obtained from open literature and Limited Exclusive Right Distribution (LERD) sources, as well as dedicated experiments performed at Texas A&M. These experiments have been performed using a hydraulic/gas flow analog. Results of comparisons of DREA computations with experimental data, which include entrainment, thrust, and local profile information, are overall good. Computational time studies indicate that DREA provides considerably more information at a lower computational cost than contemporary ejector nozzle design models. Finally. physical limitations of the method, deviations from experimental data, potential improvements and alternative formulations are described. This report represents closure to the NASA Graduate Researchers Program. Versions of the DREA code and a user's guide may be obtained from the NASA Lewis Research Center.

DeChant, Lawrence Justin↗

Deconvoluting the benefits of porosity distribution in layered electrodes on the electrochemical performance of Li-ion batteries

Thick Lithium Ion Battery (LIB) electrodes suffer from poor rate capability and high ionic impedance due to their thickness and mesostructure. Therefore, optimizing thick electrode architectures becomes crucial. In this work, we report a systematic assessment of the ionic resistance in heterogeneous porous electrodes through the combination of computational simulations using a 4D-resolved model and experimental measurements. The first part of the study is devoted to a general assessment of Electrochemical Impedance Spectroscopy (EIS) spectra, mapping the impact of ionic and electronic resistances on the overall impedances of uncalendered and calendered LiNi 1/3 Mn 1/3 Co 1/3 O 2 , LiFePO 4 and graphite electrodes. In the second part, in silico-generated electrodes with different porosities are used in computational EIS simulations to analyze the impact of the electrode porosity on the ionic impedance. As expected, the results show that a lower porosity leads to a higher ionic impedance because of a higher electrode tortuosity factor. Furthermore, in silico-generated electrodes with different porosities were stacked and assembled to create heterogeneities of porosity along the thickness, and used in computational EIS and galvanostatic discharge simulations. The computational results show that the porosity heterogeneity along the electrode thickness has a significant effect on the ionic impedance and capacity of the electrode. The electrode architecture with progressively decreasing porosity from separator to current collector shows the highest performance, a trend validated by our in house experimental EIS and galvanostatic discharge also reported in this manuscript. Overall, we conclude that the ionic resistance in a thick electrode can be effectively reduced through proper tuning of the porosity heterogeneity. The proposed heterogeneous electrode architectures presented here could enormously help building efficient thick electrodes for LIBs.

25 ENERGY STORAGE↗

Neoclassical toroidal viscosity torque prediction via deep learning

GPECnet is a densely connected neural network that has been trained on GPEC data, to predict the plasma stability, neoclassical toroidal viscosity (NTV) torque, and optimized 3D coil current distributions for desired NTV torque profiles. Using NTV torque, driven by non-axisymmetric field perturbations in a tokamak, can be vital in optimizing pedestal performance by controlling the rotation profile in both the core, to ensure tearing stability, and the edge, to avoid edge localized modes (ELMs). The generalized perturbed equilibrium code (GPEC) software package can be used to calculate the plasma stability to 3D perturbations and the NTV torque profile generated by applied 3D magnetic fields. These calculations, however, involve complex integrations over space and energy distributions, which takes time to compute. Initially, GPECnet has been trained solely on data representative of the quiescent H-mode (QH) scenario, in which neutral beams are often balanced and toroidal rotation is low across the plasma profile. Lastly, this work provides the foundation for active control of the rotation shear using a combination of beams and 3D fields for robust and high performance QH mode operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Q-Cluster: Quantum Error Mitigation Through Noise-Aware Unsupervised Learning

Quantum error mitigation (QEM) is critical in reducing the impact of noise in the pre-fault-tolerant era, and is expected to complement error correction in fault-tolerant quantum computing (FTQC). In this work, we propose a novel QEM approach, Q-Cluster, that uses unsupervised learning (clustering) to reshape the measured bit-string distribution. Our approach starts with a simplified bit-flip noise model. It first performs clustering on noisy measurement results, i.e., bit-strings, based on the Hamming distance. The centroid of each cluster is calculated using a qubit-wise majority vote. Next, the noisy distribution is adjusted with the clustering outcomes and the bitflip error rates using Bayesian inference. Our simulation results show that Q-Cluster can mitigate high noise rates (up to 40% per qubit) with the simple bit-flip noise model. However, real quantum computers do not fit such a simple noise model. To address the problem, we (a) apply Pauli twirling to tailor the complex noise channels to Pauli errors, and (b) employ a machine learning model, ExtraTrees regressor, to estimate an effective bit-flip error rate using a feature vector consisting of machine calibration data (gate & measurement error rates), circuit features (number of qubits, numbers of different types of gates, etc.) and the shape of the noisy distribution (entropy). Our experimental results show that our proposed Q-Cluster scheme improves the fidelity by a factor of 1.46x, on average, compared to the unmitigated output distribution, for a set of low-entropy benchmarks on five different IBM quantum machines. Our approach outperforms the state-of-art QEM approaches RZNE [28], M3 [24], Hammer [35], and QBEEP [33] by 1.26x,1.29x,1.47x, and 2.65 x, respectively.

42 ENGINEERING↗

Striped Data Analysis Framework

A columnar data representation is known to be an efficient way for data storage, specifically in cases when the analysis is often done based only on a small fragment of the available data structures. A data representation like Apache Parquet is a step forward from a columnar representation, which splits data horizontally to allow for easy parallelization of data analysis. Based on the general idea of columnar data storage, working on the [LDRD Project], we have developed a striped data representation, which, we believe, is better suited to the needs of High Energy Physics data analysis. A traditional columnar approach allows for efficient data analysis of complex structures. While keeping all the benefits of columnar data representations, the striped mechanism goes further by enabling easy parallelization of computations without requiring special hardware. We will present an implementation and some performance characteristics of such a data representation mechanism using a distributed no-SQL database or a local file system, unified under the same API and data representation model. The representation is efficient and at the same time simple so that it allows for a common data model and APIs for wide range of underlying storage mechanisms such as distributed no-SQL databases and local file systems. Striped storage adopts Numpy arrays as its basic data representation format, which makes it easy and efficient to use in Python applications. The Striped Data Server is a web service, which allows to hide the server implementation details from the end user, easily exposes data to WAN users, and allows to utilize well known and developed data caching solutions to further increase data access efficiency. We are considering the Striped Data Server as the core of an enterprise scale data analysis platform for High Energy Physics and similar areas of data processing. We have been testing this architecture with a 2TB dataset from a CMS dark matter search and plan to expand it to multiple 100 TB or even PB scale. We will present the striped format, Striped Data Server architecture and performance test results.

Gutsche, Oliver↗

Striped Data Server for Scalable Parallel Data Analysis

A columnar data representation is known to be an efficient way for data storage, specifically in cases when the analysis is often done based only on a small fragment of the available data structures. A data representation like Apache Parquet is a step forward from a columnar representation, which splits data horizontally to allow for easy parallelization of data analysis. Based on the general idea of columnar data storage, working on the [LDRD Project], we have developed a striped data representation, which, we believe, is better suited to the needs of High Energy Physics data analysis. A traditional columnar approach allows for efficient data analysis of complex structures. While keeping all the benefits of columnar data representations, the striped mechanism goes further by enabling easy parallelization of computations without requiring special hardware. We will present an implementation and some performance characteristics of such a data representation mechanism using a distributed no-SQL database or a local file system, unified under the same API and data representation model. The representation is efficient and at the same time simple so that it allows for a common data model and APIs for wide range of underlying storage mechanisms such as distributed no-SQL databases and local file systems. Striped storage adopts Numpy arrays as its basic data representation format, which makes it easy and efficient to use in Python applications. The Striped Data Server is a web service, which allows to hide the server implementation details from the end user, easily exposes data to WAN users, and allows to utilize well known and developed data caching solutions to further increase data access efficiency. We are considering the Striped Data Server as the core of an enterprise scale data analysis platform for High Energy Physics and similar areas of data processing. As a result, we have been testing this architecture with a 2TB dataset from a CMS dark matter search and plan to expand it to multiple 100 TB or even PB scale. We will present the striped format, Striped Data Server architecture and performance test results.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Signal Processing Based Method for Real-Time Anomaly Detection in High-Performance Computing

Performance anomalies can manifest as irregular execution times or abnormal execution events for many reasons, including network congestion and resource contention. Detecting such anomalies in real-time by analyzing the details of performance traces at scale is impractical due to the sheer volume of data High-Performance Computing (HPC) applications produce. In this paper, we propose formulating HPC performance anomaly detection as a signal-processing problem where anomalies can be treated as noise. We evaluate our proposed method in comparison with two other commonly used anomaly detection techniques of varying complexity based on their detection accuracy and scalability. Since real-time in-situ anomaly detection at a large scale requires lightweight methods that can handle a large volume of streaming data, we find that our proposed method provides the best trade-off. We then implement the proposed method in Chimbuko, the first online, distributed, and scalable workflow-level performance trace analysis framework. We compare our proposed signal-based anomaly detection algorithm with two other methods using a function of their accuracy, F1 score, and detection overhead. Our experiments demonstrate that our proposed approach achieves a 99% improvement for the benchmark datasets and a 93% improvement with Chimbuko traces.

99 GENERAL AND MISCELLANEOUS↗

Temperature Distribution Within a Defect-Free Silicon Carbide Diode Predicted by a Computational Model

Most solid-state electronic devices diodes, transistors, and integrated circuits are based on silicon. Although this material works well for many applications, its properties limit its ability to function under extreme high-temperature or high-power operating conditions. Silicon carbide (SiC), with its desirable physical properties, could someday replace silicon for these types of applications. A major roadblock to realizing this potential is the quality of SiC material that can currently be produced. Semiconductors require very uniform, high-quality material, and commercially available SiC tends to suffer from defects in the crystalline structure that have largely been eliminated in silicon. In some power circuits, these defects can focus energy into an extremely small area, leading to overheating that can damage the device. In an effort to better understand the way that these defects affect the electrical performance and reliability of an SiC device in a power circuit, the NASA Glenn Research Center at Lewis Field began an in-house three-dimensional computational modeling effort. The goal is to predict the temperature distributions within a SiC diode structure subjected to the various transient overvoltage breakdown stresses that occur in power management circuits. A commercial computational fluid dynamics computer program (FLUENT-Fluent, Inc., Lebanon, New Hampshire) was used to build a model of a defect-free SiC diode and generate a computational mesh. A typical breakdown power density was applied over 0.5 msec in a heated layer at the junction between the p-type SiC and n-type SiC, and the temperature distribution throughout the diode was then calculated. The peak temperature extracted from the computational model agreed well (within 6 percent) with previous first-order calculations of the maximum expected temperature at the end of the breakdown pulse. This level of agreement is excellent for a model of this type and indicates that three-dimensional computational modeling can provide useful predictions for this class of problem. The model is now being extended to include the effects of crystal defects. The model will provide unique insights into how high the temperature rises in the vicinity of the defects in a diode at various power densities and pulse durations. This information also will help researchers in understanding and designing SiC devices for safe and reliable operation in high-power circuits.

Kuczmarski, Maria A.↗

High Fidelity CFD Simulations Supporting the KP-FHR

Kairos Power, LLC, is developing its version of the Fluoride-cooled High-temperature Reactor, the KP-FHR. The design uses a pebble bed core with fluoride salt as a coolant. The pebbles used in the KP-FHR have a diameter of 4 cm, with a shell fuel region where TRISO particles are embedded. A Pebble bed core design is adopted by several Gen IV reactors, They boast many benefits, such as fuel integrity, highly efficient heat transfer, and passive safety. However, it is challenging to accurately predict temperature and flow inside a pebble bed. Traditional approaches use the porous media model, which regards the pebble bed as a continuous medium, but with different temperature fields representing different levels, such as the fluid temperature, pebble surface temperature, and pebble center temperature. Empirical heat transfer correlations are adopted to calculate the heat transfer coefficient between different phases. However, empirical correlations are usually validated with experimental data, which usually lacks detail inside the pebble bed. The available experimental data is also generally at a high Reynolds number, which falls outside of the conditions of KP-FHR. Explicit computational fluid dynamics (CFD) simulations of randomly packed pebble beds have only become feasible recently. This is thanks to the rapid development of computational power and scalable algorithms. In this work, we used the Spectral Element Method (SEM) CFD code NekRS to simulate the randomly packed pebble bed in a cylindrical container. NekRS, which is the GPU variant of Nek5000, but refactored to utilize the computational power of GPUs using the OCCA library to run on hybrid architecture high performance computing systems. It was initially developed with the libParamunal library, but truncated and tuned for large-scale turbulence simulation. As a result, the SEM reaches higher precision with the same degrees of freedom by using a high-order Lagrange polynomial basis distributed on Gauss-Lobatto-Legendre quadrature inside each element, compared to lower-order methods, such the Finite Volume Method and Finite Element Method. The report is divided into five parts. We start with a general discussion of the pebble bed reactor, along with a specific investigation into the KP-FHR. The second part presents the numerical methodology. In the third part, we study a modular pebble bed with 1741 pebbles in a container of 7 pebble-diameter radius. Beyond LES simulations done by NekRS, we also leveraged the thermal radiation model in OpenFOAM to study heat transfer under no-forced-flow scenarios. Then, in the fourth part we simulated a pebble bed similar to the size of the Hermes Test Reactor. The total number of pebbles is in these simulations is 34,374. The container radius is 14 pebble-diameters. Finally, the report concludes in part five, with a discussion of future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Rapid solution of large-scale systems of equations

The analysis and design of complex aerospace structures requires the rapid solution of large systems of linear and nonlinear equations, eigenvalue extraction for buckling, vibration and flutter modes, structural optimization and design sensitivity calculation. Computers with multiple processors and vector capabilities can offer substantial computational advantages over traditional scalar computer for these analyses. These computers fall into two categories: shared memory computers and distributed memory computers. This presentation covers general-purpose, highly efficient algorithms for generation/assembly or element matrices, solution of systems of linear and nonlinear equations, eigenvalue and design sensitivity analysis and optimization. All algorithms are coded in FORTRAN for shared memory computers and many are adapted to distributed memory computers. The capability and numerical performance of these algorithms will be addressed.

Storaasli, Olaf O.↗

Discrete Event Supervisory Control Applied to Propulsion Systems

The theory of discrete event supervisory (DES) control was applied to the optimal control of a twin-engine aircraft propulsion system and demonstrated in a simulation. The supervisory control, which is implemented as a finite-state automaton, oversees the behavior of a system and manages it in such a way that it maximizes a performance criterion, similar to a traditional optimal control problem. DES controllers can be nested such that a high-level controller supervises multiple lower level controllers. This structure can be expanded to control huge, complex systems, providing optimal performance and increasing autonomy with each additional level. The DES control strategy for propulsion systems was validated using a distributed testbed consisting of multiple computers--each representing a module of the overall propulsion system--to simulate real-time hardware-in-the-loop testing. In the first experiment, DES control was applied to the operation of a nonlinear simulation of a turbofan engine (running in closed loop using its own feedback controller) to minimize engine structural damage caused by a combination of thermal and structural loads. This enables increased on-wing time for the engine through better management of the engine-component life usage. Thus, the engine-level DES acts as a life-extending controller through its interaction with and manipulation of the engine s operation.

Litt, Jonathan S.↗

NSUF FY24 Program Overview and Updates

The Nuclear Science User Facilities (NSUF) is one of a diverse number of U.S. Department of Energy (DOE) user facilities established to provide researchers with the most advanced tools of modern science. The NSUF was established to provide access to unique capabilities to a broad range of researchers to address the important issues relevant to irradiation effects in nuclear fuels and materials. The NSUF represents a consortium of capabilities distributed across the U.S. at twenty institutions. The NSUF is centered at the Idaho National Laboratory, but it coordinates activities at nineteen “partner” institutions. These institutions have capabilities that include neutron, ion, and gamma irradiation, hot cells, advanced material characterization, and high-performance computing. The NSUF goal is to provide access these capabilities at no cost to nuclear energy researchers to produce the highest quality research results to increase understanding of advanced nuclear energy technologies important to DOE-NE.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NPTFit: A Code Package for Non-Poissonian Template Fitting

We present NPTFit, an open-source code package, written in Python and Cython, for performing non-Poissonian template fits (NPTFs). The NPTF is a recently developed statistical procedure for characterizing the contribution of unresolved point sources (PSs) to astrophysical data sets. The NPTF was first applied to Fermi gamma-ray data to provide evidence that the excess of ∼GeV gamma-rays observed in the inner regions of the Milky Way likely arises from a population of sub-threshold point sources, and the NPTF has since found additional applications studying sub-threshold extragalactic sources at high Galactic latitudes. The NPTF generalizes traditional astrophysical template fits to allow for the ability to search for populations of unresolved PSs that may follow a given spatial distribution. NPTFit builds upon the framework of the fluctuation analyses developed in X-ray astronomy, thus it likely has applications beyond those demonstrated with gamma-ray data. The NPTFit package utilizes novel computational methods to perform the NPTF efficiently. The code is available at http://github.com/bsafdi/NPTFit and up-to-date and extensive documentation may be found at http://nptfit.readthedocs.io.

79 ASTRONOMY AND ASTROPHYSICS↗

Accelerated Coupled Monte Carlo-Thermal Hydraulic Calculations using a Hybrid GTF-Diffusion-based Prediction Block: First Results

Accurate predictions of spatial power and temperature distributions require the coupling of a neutron transport solver with a thermal-hydraulic (TH) feedback. Nowadays, Monte Carlo (MC) codes are widely coupled to TH solvers, typically via a Picard iteration (PI) method, due to the higher fidelity that such frameworks can produce. To speed up a PI, a prediction step can produce an improved initial guess for a source distribution and feed it to the MC code. Recent work [1, 2] investigated a prediction step that uses generalized transfer functions (GTFs) to predict the macroscopic cross sections’ variations following a perturbation in TH properties, such as coolant density. The previous method also relied on first order perturbation (FOP) theory to predict perturbed power profiles, rather than using an expensive MC iterate. The implemented FOP method relied on generating a fission matrix from which the forward and adjoint eigenmodes were extracted and later used to for power calculations. The generation of the fission matrix can introduce a significant computational overhead, therefore undermining the performance of the proposed hybrid technique when applied to high-dimensional problems, e.g., full core calculations. This work attempts to improve the GTF-FOP prediction step by replacing the FOP solver with a nodal diffusion solver, thus eliminating the need to calculate a fission matrix. The GTF-diffusion step was tested for various moderator density perturbations. In each case, the predicted power distribution showed good agreement with the reference case. The latter is attributed to the generally good prediction of most spatially distributed macroscopic cross sections, except the transport cross section, which will become the focus of future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Machine Learning-enabled Scalable Performance Prediction of Scientific Codes

Hardware architectures become increasingly complex as the compute capabilities grow to exascale. Here, we present the Analytical Memory Model with Pipelines (AMMP) of the Performance Prediction Toolkit (PPT). PPT-AMMP takes high-level source code and hardware architecture parameters as input and predicts runtime of that code on the target hardware platform, which is defined in the input parameters. PPT-AMMP transforms the code to an (architecture-independent) intermediate representation, then (i) analyzes the basic block structure of the code, (ii) processes architecture-independent virtual memory access patterns that it uses to build memory reuse distance distribution models for each basic block, and (iii) runs detailed basic-block level simulations to determine hardware pipeline usage. PPT-AMMP uses machine learning and regression techniques to build the prediction models based on small instances of the input code, then integrates into a higher-order discrete-event simulation model of PPT running on Simian PDES engine. We validate PPT-AMMP on four standard computational physics benchmarks and present a use case of hardware parameter sensitivity analysis to identify bottleneck hardware resources on different code inputs. We further extend PPT-AMMP to predict the performance of a scientific application code, namely, the radiation transport mini-app SNAP. To this end, we analyze multi-variate regression models that accurately predict the reuse profiles and the basic block counts. We validate predicted SNAP runtimes against actual measured times.

97 MATHEMATICS AND COMPUTING↗