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At least 289 records · Page 16

Machine Learning-Based Temperature Prediction for Runtime Thermal Management Across System Components

Elevated temperatures limit the peak performance of systems because of frequent interventions by thermal throttling. Non-uniform thermal states across system nodes also cause performance variation within seemingly equivalent nodes leading to significant degradation of overall performance. In this paper we present a framework for creating a lightweight thermal prediction system suitable for run-time management decisions. We pursue two avenues to explore optimized lightweight thermal predictors. First, we use feature selection algorithms to improve the performance of previously designed machine learning methods. Second, we develop alternative methods using neural network and linear regression-based methods to perform a comprehensive comparative study of prediction methods. We show that our optimized models achieve improved performance with better prediction accuracy and lower overhead as compared with the Gaussian process model proposed previously. Specifically we present a reduced version of the Gaussian process model, a neural network-based model, and a linear regression-based model. Using the optimization methods, we are able to reduce the average prediction errors in the Gaussian process from 4: 2 degrees C to 2: 9 degrees C. We also show that the newly developed models using neural network and Lasso linear regression have average prediction errors of 2: 9 degrees C and 3: 8 degrees C respectively. The prediction overheads are 0.22, 0.097, and 0.026 ms per prediction for reduced Gaussian process, neural network, and Lasso linear regression models, respectively, compared with 0.57 ms per prediction for the previous Gaussian process model. We have implemented our proposed thermal prediction models on a two-node system configuration to help identify the optimal task placement. The task placement identified by the models reduces the average system temperature by up to 11: 9 degrees C without any performance degradation. Furthermore, these models respectively achieve 75, 82.5, and 74.17 percent success rates in correctly pointing to those task placements with better thermal response, compared with 72.5 percent success for the original model in achieving the same objective. Lastly, we extended our analysis to a 16-node system and we were able to train models and execute them in real time to guide task migration and achieve on average 17 percent reduction in the overall system cooling power.

97 MATHEMATICS AND COMPUTING↗

Risk-Aware Framework Development for Disruption Prediction: Alcator C-Mod and DIII-D Survival Analysis

Abstract Survival regression models can achieve longer warning times at similar receiver operating characteristic performance than previously investigated models. Survival regression models are also shown to predict the time until a disruption will occur with lower error than other predictors. Time-to-event predictions from time-series data can be obtained with a survival analysis statistical framework, and there have been many tools developed for this task which we aim to apply to disruption prediction. Using the open-source Auton-Survival package we have implemented disruption predictors with the survival regression models Cox Proportional Hazards, Deep Cox Proportional Hazards, and Deep Survival Machines. To compare with previous work, we also include predictors using a Random Forest binary classifier, and a conditional Kaplan-Meier formalism. We benchmarked the performance of these five predictors using experimental data from the Alcator C-Mod and DIII-D tokamaks by simulating alarms on each individual shot. We find that developing machine-relevant metrics to evaluate models is an important area for future work. While this study finds cases where disruptive conditions are not predicted, there are instances where the desired outcome is produced. Giving the plasma control system the expected time-to-disruption will allow it to determine the optimal actuator response in real time to minimize risk of damage to the device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Map Applications to Target Exascale Architecture with Machine-Specific Performance Analysis, Including Challenges and Projections

This Exascale Computing Project (ECP) milestone report summarizes the status of all 30 ECP Applications Development (AD) subprojects at the end of FY20. In October and November of 2020, a comprehensive assessment of AD projects was conducted by the ECP leadership. Reviews occurred virtually between October 27, 2020 and November 12, 2020. The review committee—consisting of the AD lead, deputy, and L3—was tasked with evaluating each subproject’s progress in porting their codes to early exascale architectures considered precursors to the planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents an unprecedentedly broad account of experiences in porting large scientific applications to next-generation high-performance computing architectures.

97 MATHEMATICS AND COMPUTING↗

Multilevel Monte Carlo Estimators For Derivative-Free Optimization Under Uncertainty

Optimization is a key tool for scientific and engineering applications; however, in the presence of models affected by uncertainty, the optimization formulation needs to be extended to consider statistics of the quantity of interest. Optimization under uncertainty (OUU) deals with this endeavor and requires uncertainty quantification analyses at several design locations; i.e., its overall computational cost is proportional to the cost of performing a forward uncertainty analysis at each design location. An OUU workflow has two main components: an inner loop strategy for the computation of statistics of the quantity of interest, and an outer loop optimization strategy tasked with finding the optimal design, given a merit function based on the inner loop statistics. Here, in this work, we propose to alleviate the cost of the inner loop uncertainty analysis by leveraging the so-called multilevel Monte Carlo (MLMC) method, which is able to allocate resources over multiple models with varying accuracy and cost. The resource allocation problem in MLMC is formulated by minimizing the computational cost given a target variance for the estimator. We consider MLMC estimators for statistics usually employed in OUU workflows and solve the corresponding allocation problem. For the outer loop, we consider a derivative-free optimization strategy implemented in the SNOWPAC library; our novel strategy is implemented and released in the Dakota software toolkit. We discuss several numerical test cases to showcase the features and performance of our approach with respect to its Monte Carlo single fidelity counterpart.

97 MATHEMATICS AND COMPUTING↗

Pipeline for Integrated Projects in Energy Systems (PIPES): A Tool for Integrated System Planning [Slides]

The Pipeline for Integrated Projects in Energy Systems (PIPES) is a comprehensive project, data, and workflow management tool designed for integrated modeling teams. PIPES facilitates the management of data requirements, tasks, and progress tracking, serving as a higher-level integration layer that works across various data and modeling software. This tool integrates models, data, and tools to perform large-scale, integrated analysis work at scale. PIPES is designed to streamline integrated modeling projects, enhance collaboration, and ensure the quality and efficiency of data management and workflow processes. This presentation introduces PIPES a multi-model tool for integrated system planning; it describes the underlying architecture, deep dives into common user workflows, and outlines the upcoming development roadmap beyond its current alpha state.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ChatMPI: LLM-Driven MPI Code Generation for HPC Workloads

The Message Passing Interface (MPI) standard plays a crucial role in enabling scientific applications for parallel computing and is an essential component in high-performance computing (HPC). However, implementing MPI code manually—especially applying a proper domain decomposition and communication pattern—is a challenging and error-prone task. We present ChatMPI, an AI assistant for MPI parallelization of sequential C codes. In our analysis, we focus on testing six essential HPC workloads, which are based on Basic Linear Algebra Subprograms levels 1, 2, and 3 as well as sparse, stencil, and iterative operations. We analyze the process of creating ChatMPI by using the ChatHPC library. This lightweight large language model (LLM)–based infrastructure enables HPC experts to efficiently create and supervise trustworthy AI capabilities for critical HPC software tasks. We study the data required for training (fine-tuning) ChatMPI to generate parallel codes that not only use MPI syntax correctly but also apply HPC techniques to reduce memory communication and maximize performance by using proper work decomposition. With a relatively small training dataset composed of a few dozen prompts and fewer than 15 minutes of fine-tuning on one node equipped with two NVIDIA H100 GPUs, ChatMPI elevates trustworthiness for MPI code generation of current LLMs (e.g., Code Llama, ChatGPT-4o and ChatGPT 5). Additionally, we evaluate the performance of the MPI codes generated by ChatMPI in comparison with the ones generated by ChatGPT-4o and ChatGPT-5. The codes generated by ChatMPI provide up to a 4 × boost in performance by using better problem decomposition, communication patterns, and HPC techniques (e.g., communication avoiding).

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗

Context-Enriched Identification of Particles with a Convolutional Network for Neutrino Events

Particle detectors record the interactions of subatomic particles and their passage through matter. The identification of these particles is necessary for in-depth physics analysis. While particles can be identified by their individual behavior as they travel through matter, the full context of the interaction in which they are produced can aid the classification task substantially. We have developed the first convolutional neural network for particle identification which uses context information. This is also the first implementation of a four-tower siamese-type architecture both for separation of independent inputs and inclusion of context information. The network classifies clusters of energy deposits from the NOvA neutrino detectors as electrons, muons, photons, pions, and protons with an overall efficiency and purity of 83.3% and 83.5%, respectively. We show that providing the network with context information improves performance by comparing our results with a network trained without context information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Data processing pipeline for Tianlai experiment

The Tianlai project is a 21cm intensity mapping experiment for detecting dark energy by measuring the baryon acoustic oscillation (BAO) features in the large scale structure power spectrum. This experiment provides an opportunity to test the data processing methods for cosmological 21cm signal extraction, which is still a great challenge in current radio astronomy research. The 21cm signal is much weaker than the foregrounds and easily aected by the imperfections in the instrumental responses. Furthermore, processing the large volumes of interferometer data poses a practical challenge. We have developed a data processing pipeline called tlpipe to process the drift scan survey data from the Tianlai experiment. It performs oine data processing tasks such as radio frequency interference (RFI) agging, array calibration, binning, and map-making, etc. It also includes utility functions needed for the data analysis, such as data selection, transformation, visualization and others. A number of new algorithms are implemented, for example the eigenvector decomposition method for array calibration and the Tikhnov regularization for m-mode analysis. In this paper we describe the design and implementation of the pipeline and illustrate its functions with some analysis of real data. Finally, we outline directions for future development of this publicly code.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Gradient-based optimization for regression in the functional tensor-train format

Predictive analysis of complex computational models, such as uncertainty quantification (UQ), must often rely on using an existing database of simulation runs. In this paper we consider the task of performing low-multilinear-rank regression on such a database. Specifically we develop and analyze an efficient gradient computation that enables gradient-based optimization procedures, including stochastic gradient descent and quasi-Newton methods, for learning the parameters of a functional tensor-train (FT). We compare our algorithms with 22 other nonparametric and parametric regression methods on 10 real-world data sets and show that for many physical systems, exploiting low-rank structure facilitates efficient construction of surrogate models. Here, we use a number of synthetic functions to build insight into behavior of our algorithms, including the rank adaptation and group-sparsity regularization procedures that we developed to reduce overfitting. Finally we conclude the paper by building a surrogate of a physical model of a propulsion plant on a naval vessel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MATEY: multiscale adaptive transformer models for spatiotemporal physical systems

Accurate representation of the multiscale features in spatiotemporal physical systems using vision transformer architectures requires extremely long, computationally prohibitive token sequences. To address this issue, we propose two novel adaptive tokenization schemes that dynamically adjust patch sizes based on local features: one ensures convergent behavior to uniform patch refinement, while the other offers better computational efficiency. Moreover, we present a set of spatiotemporal attention schemes, where the temporal or axial spatial dimensions are decoupled, to evaluate their baseline computational and data efficiencies and to determine whether adaptive tokenization can improve this performance. We assess the performance of the proposed multiscale adaptive model, MATEY, in a sequence of experiments. Compared to a full spatiotemporal attention scheme or a scheme that decouples only the temporal dimension, we find that fully decoupled axial attention is less efficient and expressive, requiring more training time and model parameters to achieve the same accuracy. The experiments on the adaptive tokenization schemes show that, compared to a uniformly refined model, the proposed schemes achieve comparable or improved accuracy at a much lower cost in the tested two-dimensional settings. While the asymptotic analysis suggests the potential for favorable scaling, empirical validation at substantially longer sequence lengths remains to be performed in future work. Finally, we demonstrate in two fine-tuning tasks featuring different physics that models pretrained on PDEBench data outperform the ones trained from scratch, especially in the low data regime with frozen attention.

adaptive tokenization↗

Mechanism for Clastogenic Activity of Naphthalene: Quarterly Technical Progress Report, March 2015

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete, The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat samples exposed in December 2014. Task 3: Perform In Vitro Study for Goal 2. Mouse ex vivo samples completed. Rat and monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse Goal 2 samples completed. Other samples to remain to be done. Task 5: Data Interpretation and Reporting. Waiting for more data. Insufficient data to submit abstract to SOT by mid January 2015 deadline.

59 BASIC BIOLOGICAL SCIENCES↗

Mechanism for Clastogenic Activity of Naphthalene. Quarterly Technical Progress Report

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete. The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat and mouse samples exposures completed. Monkey samples need to be exposed in next quarter. Task 3: Perform In Vitro Study for Goal 2. Mouse and rat ex vivo exposures completed. Monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse and Rat Goal 2 samples completed. Monkey samples remain to be done for Goal 2. Rat samples completed for Goal 1. Mouse and Monkey samples for Goal 1 need to be completed. Task 5: Data Interpretation and Reporting. Poster will be presented at 2016 Society of Toxicology Meeting. Outline for paper on adduct formation complete and similar to poster for SOT meeting.

59 BASIC BIOLOGICAL SCIENCES↗

Quarterly Technical Progress Report June 2015

The project has two main goals: 1) Identify the types of adducts naphthalene (NA) forms with DNA and 2) determine whether adduct formation correlates with site selective tumor formation in defined subcompartments of the respiratory tract (respiratory and olfactory nasal epithelium and airways of mice, rats and rhesus monkeys). Five tasks are associated with the completion of the goals. Task 1: Contracting and Animal Use Approvals. IACUC and ACURO approvals are complete, The subcontract with UC Davis (UCD) was executed in December 2014. Task 2: Perform In Vitro Study for Goal 1. Rat samples exposed and in freezer while adduct standards are being made. Mouse samples need to be exposed in next quarter. Task 3: Perform In Vitro Study for Goal 2. Mouse ex vivo samples completed. Rat and monkey samples need to be completed in the next quarter. Task 4: Sample Preparation and Analysis. Mouse Goal 2 samples completed. Other samples remain to be done. Task 5: Data Interpretation and Reporting. Need rat data to write paper on adduct formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Complete Status Report Documenting Weld Development for Thin Wall Tubing of ODS Ferritic Alloys

Beginning in 2015, research in the FCRD program began the development of FSW for joining thin sections of 14YWT in the form of thin (0.5 mm) plate and ultimately thin wall tubing. In the previous fiscal year, a ~1 mm thick plate, or sheet, of 14YWT was produced by hot rolling with no edge cracking. The initial FSW experiment was performed on the 1 mm thick plate and involved a bead-on-plate weld in which the spinning pin tool is plunged into the plate surface, but does not penetrate the thickness of the plate, and then travels the length of the plate. The FSW run successfully produced a bead-on-plate stir zone on the 1 mm thick plate of 14YWT, but no characterization studies of the stir zone were performed by the end of FY15. Therefore, the results presented in this report cover the microstructural analysis of the bead-on-plate stir zone and the initial research task on obtaining tensile properties of the stir zone using the digital image correlation (DIC) approach during testing of miniature tensile specimens to assess the quality of the FSW parameters used in the initial experiment. The results of the microstructural characterization study using optical, scanning electron and scanning transmission electron microscopies showed the grain structure in the SZ to have isotropic and irregular shape but very similar size compared to the highly elongated grains oriented horizontally with the plane of the plate that were observed in the unaffected zone of 14YWT. Several cracks oriented horizontally were observed mostly on the retreating side of the SZ in both the SZ and TMAZ. These cracks may have formed due to insufficient pressure being exerted on the top surface of the plate by the shoulder and pin tool during the FSW run. High resolution STEM-EDS analysis showed the presence of the Y-Ti-O particles in the SZ, but that some particles exhibited coarsening. Overall, the FSW parameters used to produce the bead-on-plate SZ in the 0.1 cm thick plate of 14YWT were nearly optimized. The results of the digital image correlation (DIC) analysis of the two SS-Mini-2 tensile specimens fabricated from the 0.1 cm thick plate of 14YWT showed that the specimens exhibited high strength and good ductility. However, strain localization occurred in one of the specimens during the tensile test that was too close to the grips, which invalidated the data from the DIC analysis. This was surprising since the abrupt crack pop-in that occurred in the 0.1 cm thick plate of 14YWT during fabrication by wire EDM suggested that residual stresses were high. Residual stress measurements and the effects of post weld heat treatment on the FSW quality of joined 14YWT plates will be investigated in the next FW work package.

36 MATERIALS SCIENCE↗

Updates and Validation for the n+ 63,65 Cu Cross Sections [Abstract]

The neutron induced total, elastic, and capture cross sections of 63,65 Cu isotopes were selected for evaluation in the resolved and unresolved resonance energy ranges by the National Criticality Safety Program to resolve discrepancies related to benchmark performance. This is especially evident for the series of ZEUS benchmarks in which copper is used as a reflector. Because copper is also used as structural material in both fission and fusion reactors, the need to address benchmark discrepancies linked to nuclear data deficiencies is a task of primary importance. The aim of this work is to describe the steps of evaluation work towards a consistent improvement of the benchmark performance. The R-matrix analysis with the SAMMY code focused on the 63 Cu(n,γ) reaction channel between 100-300 keV coupled to unresolved resonance region parameters up to 650 keV to fit average cross section data from a recent experiment. Due to the high sensitivity of many benchmarks to elastic scattering angular distribution data, especially for the 65 Cu isotope, the impact of these data was tested by generating Legendre coefficients from both resonance parameters and the Hauser-Feshbach model. Guided by the findings of Shaw et al., the performance of the current evaluation for 65 Cu was compared to that of ENDF/B-VII.1 and ENDF/B-VIII.0 by testing the reactivity coefficients corresponding to the validation suite of experimental criticality benchmarks for thermal, intermediate, and fast systems taken from the International Criticality Safety Benchmark Experiments Project Handbook. The benchmark performance is especially sensitive to 63 Cu(n,γ) and 65 Cu elastic scattering for neutron energies in the 100–500 keV region, whereas 100 keV is the upper limit of the resolved resonance region in the ENDF/B-VIII.0 evaluations for 63,65 Cu. The results highlight the need to handle the transition from the resolved resonance region to the high energy region carefully.

07 ISOTOPE AND RADIATION SOURCES↗

WE-EF-207-01: FEATURED PRESENTATION and BEST IN PHYSICS (IMAGING): Task-Driven Imaging for Cone-Beam CT in Interventional Guidance

Purpose: This work introduces a task-driven imaging framework that utilizes a patient-specific anatomical model, mathematical definition of the imaging task, and a model of the imaging system to prospectively design acquisition and reconstruction techniques that maximize task-based imaging performance. Utility of the framework is demonstrated in the joint optimization of tube current modulation and view-dependent reconstruction kernel in filtered-backprojection reconstruction and non-circular orbit design in model-based reconstruction. Methods: The system model is based on a cascaded systems analysis of cone-beam CT capable of predicting the spatially varying noise and resolution characteristics as a function of the anatomical model and a wide range of imaging parameters. Detectability index for a non-prewhitening observer model is used as the objective function in a task-driven optimization. The combination of tube current and reconstruction kernel modulation profiles were identified through an alternating optimization algorithm where tube current was updated analytically followed by a gradient-based optimization of reconstruction kernel. The non-circular orbit is first parameterized as a linear combination of bases functions and the coefficients were then optimized using an evolutionary algorithm. The task-driven strategy was compared with conventional acquisitions without modulation, using automatic exposure control, and in a circular orbit. Results: The task-driven strategy outperformed conventional techniques in all tasks investigated, improving the detectability of a spherical lesion detection task by an average of 50% in the interior of a pelvis phantom. The non-circular orbit design successfully mitigated photon starvation effects arising from a dense embolization coil in a head phantom, improving the conspicuity of an intracranial hemorrhage proximal to the coil. Conclusion: The task-driven imaging framework leverages a knowledge of the imaging task within a patient-specific anatomical model to optimize image acquisition and reconstruction techniques, thereby improving imaging performance beyond that achievable with conventional approaches. 2R01-CA-112163; R01-EB-017226; U01-EB-018758; Siemens Healthcare (Forcheim, Germany)

60 APPLIED LIFE SCIENCES↗

Sensitivity and Uncertainty Analysis of Plutonium and Cesium Isotopes in Modeling of BR3 Reactor Spent Fuel

Nuclear forensics has a broad task to characterize recovered nuclear or radiological material and interpret the results of investigation. One approach to isotopic characterization of nuclear material obtained from a reactor is to chemically separate and perform isotopic measurements on the sample and verify the results with modeling of the sample history, for example, operation of a nuclear reactor. The major actinide plutonium and fission product cesium are commonly measured signatures of the fuel history in a reactor core. This study investigates the uncertainty of the plutonium and cesium isotope ratios of a fuel rod discharged from a research pressurized water reactor when the location of the sample is not known a priori. A sensitivity analysis showed overpredicted values for the 240 Pu/ 239 Pu ratio toward the axial center of the rod and revealed a lower probability of the rod of interest (ROI) being on the periphery of the assembly. The uncertainty analysis found the relative errors due to only the rod position and boron concentration to be 17% to 36% and 7% to 15% for the 240 Pu/ 239 Pu and 137 Cs/ 135 Cs ratios, respectively. Lastly, this study provides a method for uncertainty quantification of isotope concentrations due to the location of the ROI. Similar analyses can be performed to verify future chemical and isotopic analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗