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Fission Product Yield Data Adjustment in a Prototype Version of TSURFER
The TSURFER (Tool for Sensitivity/Uncertainty analysis of Response Functionals using Experimental Results) module of Oak Ridge National Laboratory’s (ORNL’s) SCALE code system has been updated to perform nuclear data adjustments for fixed-source irradiation/depletion problems. TSURFER uses a generalized linear least squares (GLLS) approach to consolidate a prior set of measured responses and corresponding calculated values to create the most self-consistent set of nuclear data. Traditionally, TSURFER adjustments have been performed for multigroup nuclear data such as reaction cross sections. In this work, TSURFER is expanded to perform adjustments to independent fission product yields and branching ratios that need equality constraints. To preserve equality constraints after the data adjustment procedure, an updated GLLS formulation includes a new Lagrange multiplier that forces data adjustment to sum to 0 for a given fission yield/branching ratio parent. A test problem illustrates that the newly updated TSURFER module satisfies the required constraint that adjustments for fission yield data sum to 0.
Identification of low-momentum muons in the CMS detector using multivariate techniques in proton-proton collisions at $\sqrt{s}$ = 13.6 TeV
“Soft” muons with a transverse momentum below 10 GeV are featured in many processes studied by the CMS experiment, such as decays of heavy-flavor hadrons or rare tau lepton decays. Maximizing the selection efficiency for these muons, while simultaneously suppressing backgrounds from long-lived light-flavor hadron decays, is therefore important for the success of the CMS physics program. Multivariate techniques have been shown to deliver better muon identification performance than traditional selection techniques. To take full advantage of the large data set currently being collected during Run 3 of the CERN LHC, a new multivariate classifier based on a gradient-boosted decision tree has been developed. It offers a significantly improved separation of signal and background muons compared to a similar classifier used for the analysis of the Run 2 data. The performance of the new classifier is evaluated on a data set collected with the CMS detector in 2022 and 2023, corresponding to an integrated luminosity of 62 fb -1 .
MEUMAPPS (C++ Version)
Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.
Deffe: A Data-efficient Framework for Performance Characterization in Domain-Specific Computing
Predicting workload performance is a crucial task for many architecture and system research. In this paper we present Dee, a framework to estimate the workload performances under varying architectural configurations. The infrastructure component of Deffe is based on scalable and easy-to-use open-source software components. By casting the performance modeling as transfer learning tasks, the modeling component of Deffe can leverage the learned knowledge on one workload, and “transfer” it to a new workload. Extensive experimental results show that the method can achieve superior testing accuracy with an effective reduction of 32-80x in terms of the amount of required training data.
Toward particle-resolved accuracy in Euler–Lagrange simulations of multiphase flow using machine learning and pairwise interaction extended point-particle (PIEP) approximation
This study presents two different machine learning approaches for the modeling of hydrodynamic force on particles in a particle-laden multiphase flow. Results from particle-resolved direct numerical simulations (PR-DNS) of flow over a random array of stationary particles for eight combinations of particle Reynolds number (Re) and volume fraction (φ) are used in the development of the models. The first approach follows a two-step process. In the first flow prediction step, the perturbation flow due to a particle is obtained as an axisymmetric superposable wake using linear regression. In the second force prediction step, the force on a particle is evaluated in terms of the perturbation flow induced by all its neighbors using the generalized Faxén form of the force expression. In the second approach, the force data on all the particles from the PR-DNS simulations are used to develop an artificial neural network (ANN) model for direct prediction of force on a particle. Due to the unavoidable limitation on the number of fully resolved particles in the PR-DNS simulations, direct force prediction with the ANN model tends to over-fit the data and performs poorly in the prediction of test data. In contrast, due to the millions of grid points used in the PR-DNS simulations, accurate flow prediction is possible, which then allows accurate prediction of particle force. This hybridization of multiphase physics and machine learning is particularly important, since it blends the strength of each, and the resulting pairwise interaction extended point-particle model cannot be developed by either physics or machine learning alone.
Leveraging explainable AI to characterize floating-point exceptions in linear solvers
Linear solver packages are central to many scientific, engineering, and machine learning applications. When floating-point exceptions occur in these solvers, e.g., division by zero or overflow, numerical results are compromised and become unreliable. Existing static and dynamic analysis tools can detect such exceptions, but they do not explain why the exceptions occur in terms of the solver inputs. Here, we present a study to characterize the inputs that cause numerical exceptions in linear solver packages. Our approach uses explainable AI (XAI) to find the most relevant characteristics of input matrices that explain the occurrence of exceptions in the solvers. Since training data in this domain is scarce, we perform extensive data gathering and data augmentation to obtain exception-inducing inputs. Our approach uses a repair strategy on the features blamed by XAI to validate that such features indeed explain the exceptions. We compare the LIME and SHAP XAI techniques using a dozen matrix features with three classifiers. We evaluate the approach on three widely used linear solver packages and find that some input characteristics can explain the occurrence of exceptions 100% of the time, in specific solvers and preconditioners.
Jülich-Bonn-Washington model for pion electroproduction multipoles
Pion electroproduction off the proton is analyzed in a new framework based on a general parametrization of transition amplitudes, including constraints from gauge invariance and threshold behavior. Data with energies 1.13 GeV < W < 1.6 GeV and Q 2 below 6 Ge V 2 are included. The model is an extension of the latest Jülich-Bonn solution incorporating constraints from pion-induced and photoproduction data. Here, performing large-scale fits (≈10 5 data) we find a set of solutions with $χ^2_{\text{dof}}$ = 1.69–1.81 which allows us to assess the systematic uncertainty of the approach.
ASCENDS: Advanced data SCiENce toolkit for Non-Data Scientists
Recently, advances in machine learning and artificial intelligence have been playing more and more critical roles in a wide range of areas. For the last several years, industries have shown that how learning from data, identifying patterns and making decisions with minimal human intervention can be extremely useful to their business (e.g., image classification, recommending a product to a customer, finding friends in a social network, predicting customers actions, etc.). These success stories have been motivating scientists who study physics, chemistry, materials, medicine, and many other subjects, to explore a new pathway of utilizing machine learning techniques like regression and classification for their scientific activities. However, most existing machine learning tools, systems, and methodologies have been developed for programming experts but not for scientists (or any users) who have no or little knowledge of programming. ASCENDS is a toolkit that is developed to assist scientists (or any persons) who want to use their data for machine learning tasks, more specifically, correlation analysis, regression, and classification. ASCENDS does not require programming skills. Instead, it provides a set of simple but powerful CLI (Command Line Interface) and GUI (Graphic User Interface) tools for non-data scientists to be able to intuitively perform advanced data analysis and machine learning techniques. ASCENDS has been implemented by wrapping around opensource software including Keras, TensorFlow, and scikit-learn.
Improving Progressive Retrieval for HPC Scientific Data using Deep Neural Network
As the disparity between compute and I/O on high-performance computing systems has continued to widen, it has become increasingly difficult to perform post-hoc data analytics on full-resolution scientific simulation data due to the high I/O cost. Error-bounded data decomposition and progressive data retrieval framework has recently been developed to address such a challenge by performing data decomposition before storage and reading only part of the decomposed data when necessary. However, the performance of the progressive retrieval framework has been suffering from the over-pessimistic error control theory, such that the achieved maximum error of recomposed data is significantly lower than the required error. Therefore, more data than required is fetched for recomposition, incurring additional I/O overhead. In order to tackle this issue, we propose a DNN-based progressive retrieval framework that can better identify the minimum amount of data to be retrieved. Our contributions are as follows: 1) We provide an in-depth investigation of the recently developed progressive retrieval framework; 2) We propose two designs of prediction models (named D-MGARD and E-MGARD) to estimate the amount of retrieved data size based on error bounds. 3) We evaluate our proposed solutions using scientific datasets generated by real-world simulations from two domains. Evaluation results demonstrate the effectiveness of our solution in accurately predicting the amount of retrieval data size, as well as the advantages of our solution over the traditional approach to reducing the I/O overhead. Based on our evaluation, our solution is shown to read significantly less data (5% - 40% with D-MGARD, 20% - 80% with E-MGARD).
A High-level Design for Bidirectional Data Streaming to High-Performance Computing Systems from External Science Facilities
Cutting-edge science is increasingly data-driven due to the emergence of scientific machine learning models that can guide scientists toward fruitful areas of exploration. Experimental science facilities such as light and neutron sources, particle colliders, and radio astronomy telescopes are also producing raw measurement data at rates that exceed available data storage and computing capacity at those facilities. As a result, scientific workflows are being developed that concurrently couple experiments at science facilities with high-performance computing (HPC) facilities to enable analysis of experimental data while the experiment is ongoing, and where analysis results are potentially fed back to the experiment for use in experimental control and/or steering in a time-sensitive manner. Our goal is to design, prototype, and deploy a new capability for the Oak Ridge Leadership Computing Facility (OLCF) that enables such workflows through support for bidirectional, memory-based streaming of data from external experiments into and out of OLCF HPC systems. This high-level design document describes the related work and motivating use cases that inform our understanding of the technical requirements for this capability, and describes a proposed architectural solution that meets these requirements and our plans for demonstrating the capability.
Analysis of Needlet Internal Linear Combination performance on B -mode data from sub-orbital experiments
The observation of primordial B modes in cosmic microwave background (CMB) polarisation data represents the main scientific goal of most of the future CMB experiments. This signal is predicted to be much lower than polarised Galactic emission (foregrounds) in any region of the sky, pointing to the need for effective component separation methods. Aims. Among all the techniques, the blind Needlet Internal Linear Combination (NILC) is of great relevance given our current limited knowledge of the B-mode foregrounds. In this work, we explore the possibility of employing NILC for the analysis of B modes reconstructed from partial-sky data, specifically addressing the complications that such an application yields such as E–B leakage, needlet filtering, and beam convolution. We consider two complementary simulated datasets of future experiments: the balloon-borne Short Wavelength Instrument for the Polarisation Explorer (SWIPE) of the Large Scale Polarisation Explorer, which targets the observation of both reionisation and recombination peaks of the primordial CMB B-mode angular power spectrum, and the ground-based Small Aperture Telescope of Simons Observatory, which, instead, is designed to observe only the recombination bump at ℓ ~ 80. We assessed the performance of the following two alternative techniques to correct for the CMB E–B leakage: the recycling technique and the Zhao-Baskaran method. We find that both techniques reduce the E–B leakage residuals at a negligible level given the sensitivity of the considered experiments, except for the recycling method in the SWIPE footprint at ℓ < 20. Thus, we implemented two extensions of the pipeline, the iterative B decomposition and the diffusive inpainting, which enabled us to recover the input CMB B-mode power for ℓ ≥ 5. For the considered experiments, we demonstrate that needlet filtering and beam convolution do not affect the CMB B-mode reconstruction. Finally, with an appropriate masking strategy, we find that NILC foregrounds subtraction allows one to achieve sensitivities on the tensor-to-scalar ratio in agreement with the targets of the considered CMB experiments.
Domain Adaptation for Measurements of Strong Gravitational Lenses
Upcoming surveys are predicted to discover galaxy-scale strong lenses on the magnitude of 105, making deep learning methods necessary in lensing data analysis. Currently, there is insufficient real lensing data to train deep learning algorithms, but training only on simulated data results in poor performance on real data. Domain adaptation can bridge the gap between simulated and real datasets. We adopt domain adaptation on the estimation of Einstein radius in simulated galaxy-scale gravitational lensing images. We evaluate two domain adaptation techniques - domain adversarial neural networks (DANN) and maximum mean discrepancy (MMD). We train on a source domain of simulated lenses and apply it to a target domain with emulation of DES survey conditions. We show that both domain adaptation techniques can significantly improve the model performance on the more complex target domain datasets. Our results show the potential of using domain adaptation to perform analysis on future survey data with a deep neural network trained on simulated data.
Domain Adaptation for Measurements of Strong Gravitational Lenses
Upcoming surveys are predicted to discover galaxy-scale strong lenses on the order of 10\textsuperscript{5}, making deep learning methods necessary in lensing data analysis. Currently, there is insufficient real lensing data to train deep learning algorithms, but the alternative of training only on simulated data results in poor performance on real data. Domain Adaptation may be able to bridge the gap between simulated and real datasets. We utilize domain adaptation for the estimation of Einstein radius ($\Theta_E$) in simulated galaxy-scale gravitational lensing images with different levels of observational realism. We evaluate two domain adaptation techniques - Domain Adversarial Neural Networks (DANN) and Maximum Mean Discrepancy (MMD). We train on a source domain of simulated lenses and apply it to a target domain of lenses simulated to emulate noise conditions in the Dark Energy Survey (DES). We show that both domain adaptation techniques can significantly improve the model performance on the more complex target domain dataset. This work is the first application of domain adaptation for a regression task in strong lensing imaging analysis. Our results show the potential of using domain adaptation to perform analysis of future survey data with a deep neural network trained on simulated data.
Domain Adaptation for Measurements of Strong Gravitational Lenses
Upcoming surveys are predicted to discover galaxy-scale strong lenses on the order of $10^5$, making deep learning methods necessary in lensing data analysis. Currently, there is insufficient real lensing data to train deep learning algorithms, but the alternative of training only on simulated data results in poor performance on real data. Domain Adaptation may be able to bridge the gap between simulated and real datasets. We utilize domain adaptation for the estimation of Einstein radius ($\Theta_E$) in simulated galaxy-scale gravitational lensing images with different levels of observational realism. We evaluate two domain adaptation techniques - Domain Adversarial Neural Networks (DANN) and Maximum Mean Discrepancy (MMD). We train on a source domain of simulated lenses and apply it to a target domain of lenses simulated to emulate noise conditions in the Dark Energy Survey (DES). We show that both domain adaptation techniques can significantly improve the model performance on the more complex target domain dataset. This work is the first application of domain adaptation for a regression task in strong lensing imaging analysis. Our results show the potential of using domain adaptation to perform analysis of future survey data with a deep neural network trained on simulated data.
Holistic energy analysis method for thermal management architectures of data centers
Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.
Performance Monitoring of African Micro-Grids: Good Practices and Operational Data
This report investigates the current understanding and use of performance monitoring in the micro-grid sector by developers. It highlights the importance of performance monitoring by providing key performance monitoring indicators and suggesting performance monitoring activities that improve projects and programs. This report also presents the analysis of the performance data of 36 micro-grids currently operating in Africa, in one of the largest such assessments conducted to date within the sector and concludes by recommending potential next steps towards integrating performance monitoring into the micro-grid sector.
MGARD: A multigrid framework for high-performance, error-controlled data compression and refactoring
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