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At least 829 records · Page 46

Deep learning simulations of the microwave sky

Here we present 500 high-resolution, full-sky millimeter-wave deep learning (DL) simulations that include lensed CMB maps and correlated foreground components. We find that these MillimeterDL simulations can reproduce a wide range of non-Gaussian summary statistics matching the input training simulations, while only being optimized to match the power spectra. The procedure we develop in this work enables the capability to mass produce independent full-sky realizations from a single expensive full-sky simulation, when ordinarily the latter would not provide enough training data. We also circumvent a common limitation of high-resolution DL simulations that they be confined to small sky areas, often due to memory or GPU issues; we do this by developing a “stitching” procedure that can recover the large-scale, high-order statistics and avoid discontinuities or repeated features in the maps. In addition, since our network takes as input a full-sky lensing convergence map, it can in principle take a full-sky lensing convergence map from any large-scale structure (LSS) simulation and generate the corresponding lensed CMB and correlated foreground components at millimeter wavelengths; this is especially useful in the current era of combining results from both CMB and LSS surveys, which require a common set of simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Concurrent Relaxation through Accelerated Deep Learning

CRADL captures performance metrics of machine learning algorithms operating on mesh data from multiphysics codes This proxy application is a tool to explore scalability of inference on HPC platforms, and also gather performance metrics for inference on new machine learning specific hardware. CRADL is designed to give users as fine a control as possible over an inference simulation. Users may select the number of cycles, amount of data, and batch size to pass to the accelerator of choice. Additionally the user may select a number of performance optimization libraries and flags. CRADL comes packaged with a repository of anonymized multi-physics simulation data, as well as a pretrained model for inference. The code allows a user to load their own pre-trained model and data if they wish. The code can operate in multiple parallelization schemes, with performance enhancing options such as half-precision libraries, PyTorch benchmarking, and pinned memory with non-blocking data transfers.

Zieb, KristoferJ.↗

ProvLight: Efficient Workflow Provenance Capture on the Edge-to-Cloud Continuum

Modern scientific workflows require hybrid infrastructures combining numerous decentralized resources on the IoT/Edge interconnected to Cloud/HPC systems (aka the Computing Continuum) to enable their optimized execution. Understanding and optimizing the performance of such complex Edge-to-Cloud workflows is challenging. Capturing the provenance of key performance indicators, with their related data and processes, may assist in understanding and optimizing workflow executions. However, the capture overhead can be prohibitive, particularly in resource-constrained devices, such as the ones on the IoT/Edge.To address this challenge, based on a performance analysis of existing systems, we propose ProvLight, a tool to enable efficient provenance capture on the IoT/Edge. We leverage simplified data models, data compression and grouping, and lightweight transmission protocols to reduce overheads. We further integrate ProvLight into the E2Clab framework to enable workflow provenance capture across the Edge-to-Cloud Continuum. This integration makes E2Clab a promising platform for the performance optimization of applications through reproducible experiments.We validate ProvLight at a large scale with synthetic workloads on 64 real-life IoT/Edge devices in the FIT IoT LAB testbed. Evaluations show that ProvLight outperforms state-of-the-art systems like ProvLake and DfAnalyzer in resource-constrained devices. ProvLight is 26—37x faster to capture and transmit provenance data; uses 5—7x less CPU; 2x less memory; transmits 2x less data; and consumes 2—2.5x less energy. ProvLight [1] and E2Clab [2] are available as open-source tools.

Rosendo, Daniel↗

Designing a High Performance OpenSHMEM Implementation using Universal Common Communication Substrate as a Communication Middleware

OpenSHMEM is an effort to standardize the well-known SHMEM parallel programming library. The project aims to produce an open-source and portable SHMEM API and is led by ORNL and UH. In this paper, we optimize the current OpenSHMEM reference implementa- tion, based on GASNet, to achieve higher performance characteristics. To achieve these desired performance characteristics, we have redesigned an important component of the OpenSHMEM implementation, the network layer, to leverage a low-level communication library designed for imple- menting parallel programming models called UCCS. In particular, UCCS provides an interface and semantics such as native atomic operations and remote memory operations to better support PGAS programming models, including OpenSHMEM. Through the use of microbenchmarks, we evaluate this new OpenSHMEM implementation on various network metrics, including the latency of point-to-point and collective operations. Furthermore, we compare the performance of our OpenSHMEM imple- mentation with the state-of-the-art SGI SHMEM. Our results show that the atomic operations of our OpenSHMEM implementation outperform SGI s SHMEM implementation by 3%. Its RMA operations outperform both SGI s SHMEM and the original OpenSHMEM reference implemen- tation by as much as 18% and 12% for gets, and as much as 83% and 53% for puts.

Welch, Donald A↗

Influence of pH on the structural and magnetic behavior of cobalt ferrite synthesized by sol-gel auto-combustion

Cobalt ferrite (CoFe{sub 2}O{sub 4}) shown to be promising candidate for applications such as high-density magnetic recording, enhanced memory storage, magnetic fluids and catalysts. Utility of ferrite nanoparticles depends on its size, dispersibility in solutions, and magnetic properties. We have investigated the structural properties of synthesized cobalt ferrite nanoparticles synthesized by sol gel auto combustion for uncontrolled, acidic, neutral and basic pH values. X-ray diffraction (XRD) study confirms the cubic spinel phase formation with lattice constant 8.38 Å. In this study, we have optimized the pH value to synthesize homogenous cobalt ferrite nanoparticles with enhanced magnetic behavior. The surface morphology has been investigated by employing SEM images and the confirmation of spinel ferrite was also supported by using IR spectroscopy. Magnetic measurements for CoFe{sub 2}O{sub 4} compositions (with pH <1, pH = 3, 7, 10) were investigated using VSM measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phase I Final Technical Report on Energy-Efficient Reconfigurable Universal Accelerator Interconnect

It is well known that application specific computing systems, optimally designed and configured for a given workload, offer much higher energy-efficiency and throughput than general purpose systems. In modern computing systems, heterogeneous computing systems have emerged that exploit the energy and performance benefits of combining various different domain-specific processor architectures. Application domains such as high-performance computing and machine learning now process terabyte-sized data sets, requiring enormous processing and memory resources. These applications have very high-power consumption due to bottlenecks in the electrical interconnection between processing units. This project aims to reduce both communication energy and latency by integrating universally available accelerators with silicon photonics. It also aims to increase system throughput by exploiting emerging technologies in silicon photonic reconfigurable interconnects; this will allow the system to balance itself in real time to accommodate changes in workloads and data flows.

2.5D/3D integration↗

Data assimilation in a solar dynamo model using Ensemble Kalman Filters: sensitivity and robustness in reconstruction of meridional flow speed

We implement an Ensemble Kalman Filter procedure using the Data Assimilation Research Testbed for assimilating “synthetic” meridional flow-speed data in a Babcock–Leighton-type flux-transport solar dynamo model. By performing several “observing system simulation experiments,” we reconstruct time variation in meridional flow speed and analyze sensitivity and robustness of reconstruction. Using 192 ensemble members including 10 observations, each with 4% error, we find that flow speed is reconstructed best if observations of near-surface poloidal fields from low latitudes and tachocline toroidal fields from midlatitudes are assimilated. If observations include a mixture of poloidal and toroidal fields from different latitude locations, reconstruction is reasonably good for ⩽40% error in low-latitude data, even if observational error in polar region data becomes 200%, but deteriorates when observational error increases in low- and midlatitude data. Solar polar region observations are known to contain larger errors than those in low latitudes; our forward operator (a flux-transport dynamo model here) can sustain larger errors in polar region data, but is more sensitive to errors in low-latitude data. An optimal reconstruction is obtained if an assimilation interval of 15 days is used; 10- and 20-day assimilation intervals also give reasonably good results. Assimilation intervals <5 days do not produce faithful reconstructions of flow speed, because the system requires a minimum time to develop dynamics to respond to flow variations. Reconstruction also deteriorates if an assimilation interval >45 days is used, because the system’s inherent memory interferes with its short-term dynamics during a substantially long run without updating.

79 ASTRONOMY AND ASTROPHYSICS↗

Final Project Report: Data Locality Enhancement of Dynamic Simulations for Exascale Computing

The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future manycore systems, alleviating the memory performance issues for exascale computing. In the first three years, the PI and his group have achieves some significant progress towards the goal, producing a set of novel techniques for improving the memory performance and data locality in manycore systems, yielding 18 conference and workshop papers and 4 journal papers and graduating 6 Ph.Ds. This report summarizes the research results of this project through that period.

97 MATHEMATICS AND COMPUTING↗

Accurate numerical simulations of open quantum systems using spectral tensor trains

Decoherence between qubits is a major bottleneck in quantum computations. Decoherence results from intrinsic quantum and thermal fluctuations as well as noise in the external fields that perform the measurement and preparation processes. With prescribed colored noise spectra for intrinsic and extrinsic noise, we present a numerical method, Quantum Accelerated Stochastic Propagator Evaluation (Q-ASPEN), to solve the time-dependent noise-averaged reduced density matrix in the presence of intrinsic and extrinsic noise. Q-ASPEN is arbitrarily accurate and can be applied to provide estimates for the resources needed to error-correct quantum computations. We employ spectral tensor trains, which combine the advantages of tensor networks and pseudospectral methods, as a variational ansatz to the quantum relaxation problem and optimize the ansatz using methods typically used to train neural networks. Here, the spectral tensor trains in Q-ASPEN make accurate calculations with tens of quantum levels feasible. We present benchmarks for Q-ASPEN on the spin-boson model in the presence of intrinsic noise and on a quantum chain of up to 32 sites in the presence of extrinsic noise. In our benchmark, the memory cost of Q-ASPEN scales as a low-order polynomial in the size of the system once the number of system states surpasses the number of basis functions used in the spectral expansion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DynaM: Dynamic Multiresolution Data Representation for Large-Scale Scientific Analysis

Fast growing large-scale systems enable scientific applications to run at a much larger scale and accordingly produce gigantic volumes of simulation output. Such data imposes a grand challenge to post-processing tasks such as visualization and data analysis, because these tasks are often performed at a host machine that is remotely located and equipped with much less memory and storage resources. During the simulation runs, it is also desirable for scientists to be able to interactively monitor and steer the progress of simulation. This requires scientific data to be represented in an efficient form for initial exploration and computation steering. In this paper, we propose DynaM a software framework that can represent scientific data in a multiresolution form, and dynamically organize data blocks into an optimized layout for efficient scientific analysis. DynaM supports a convolution-based multiresolution data representation for abstracting scientific data for visualization at a wide spectrum of resolution. To support the efficient generation and retrieval of different data granularities from such representation, a dynamic data organization in DynaM is enabled to cater distinct peculiarities of different size data blocks for efficient and balanced I/O performance. Our experimental results demonstrate that DynaM can efficiently represent large scientific dataset and speed up the visualization of multidimensional scientific data. An up to 29 times speedup is achieved on Jaguar supercomputer at Oak Ridge National Laboratory.

Tian, Yuan↗

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains

Magnetic force microscopy (MFM) enables mapping local magnetic fields across a sample surface with nanoscale resolution. To perform MFM, an atomic force microscopy (AFM) probe whose tip has been magnetized vertically (i.e., perpendicular to the probe cantilever) is oscillated at a fixed height above the sample surface. The resultant shifts in the oscillation phase or frequency, which are proportional to the magnitude and sign of the vertical magnetic force gradient at each pixel location, are then tracked and mapped. Although the spatial resolution and sensitivity of the technique increases with decreasing lift height above the surface, this seemingly straightforward path to improved MFM images is complicated by considerations such as minimizing topographical artifacts due to shorter range van der Waals forces, increasing the oscillation amplitude to further improve sensitivity, and the presence of surface contaminants (in particular water due to humidity under ambient conditions). In addition, due to the orientation of the probe's magnetic dipole moment, MFM is intrinsically more sensitive to samples with an out-of-plane magnetization vector. Here, high-resolution topographical and magnetic phase images of single and bicomponent nanomagnet artificial spin-ice (ASI) arrays obtained in an inert (argon) atmosphere glovebox with <0.1 ppm O 2 and H 2 O are reported. Further, optimization of lift height and drive amplitude for high resolution and sensitivity while simultaneously avoiding the introduction of topographical artifacts is discussed, and detection of the stray magnetic fields emanating from either end of the nanoscale bar magnets (~250 nm long and <100 nm wide) aligned in the plane of the ASI sample surface is shown. Likewise, using the example of a Ni-Mn-Ga magnetic shape memory alloy (MSMA), MFM is demonstrated in an inert atmosphere with magnetic phase sensitivity capable of resolving a series of adjacent magnetic domains each ~200 nm wide.

47 OTHER INSTRUMENTATION↗

Dynamic Learning of Correlation Potentials for a Time-Dependent Kohn-Sham System

We develop methods to learn the correlation potential for a time-dependent Kohn-Sham (TDKS) system in one spatial dimension. We start from a low-dimensional two-electron system for which we can numerically solve the time-dependent Schr¨odinger equation; this yields electron densities suitable for training models of the correlation potential. We frame the learning problem as one of optimizing a least-squares objective subject to the constraint that the dynamics obey the TDKS equation. Applying adjoints, we develop efficient methods to compute gradients and thereby learn models of the correlation potential. Our results show that it is possible to learn values of the correlation potential such that the resulting electron densities match ground truth densities. We also show how to learn correlation potential functionals with memory, demonstrating one such model that yields reasonable results for trajectories outside the training set.

97 MATHEMATICS AND COMPUTING↗

Accelerating Scientific Workflows on HPC Platforms with In Situ Processing

Scientific workflows drive most modern large-scale science breakthroughs by allowing scientists to define their computations as a set of jobs executed in a given order based on their data dependencies. Workflow management systems (WMSs) have become key to automating scientific workflows-executing computational jobs and orchestrating data transfers between those jobs running on complex high-performance computing (HPC) platforms. Traditionally, WMSs use files to communicate between jobs: a job writes out files that are read by other jobs. However, HPC machines face a growing gap between their storage and compute capabilities. To address that concern, the scientific community has adopted a new approach called in situ, which bypasses costly parallel filesystem I/O operations with faster in-memory or in-network communications. When using in situ approaches, communication and computations can be interleaved. In this work, we leverage the Decaf in situ dataflow framework to accelerate task-based scientific workflows managed by the Pegasus WMS, by replacing file communications with faster MPI messaging. We propose a new execution engine that uses Decaf to manage communications within a sub-workflow (i.e., set of jobs) to optimize inter-job communications. We consider two workflows in this study: (i) a synthetic workflow that benchmarks and compares file- and MPI-based communication; and (ii) a realistic bioinformatics workflow that computes mu-tational overlaps in the human genome. Experiments show that in situ communication can improve the bioinformatics workflow execution time by 22% to 30% compared with file communication. Our results motivate further opportunities and challenges for bridging traditional WMSs with in situ frameworks.

Decaf↗

Nonlinear Matrix Approximation with Radial Basis Function Components

We introduce and investigate matrix approximation by decomposition into a sum of radial basis function (RBF) components. An RBF component is a generalization of the outer product between a pair of vectors, where an RBF function replaces the scalar multiplication between individual vector elements. Even though the RBF functions are positive definite, the summation across components is not restricted to convex combinations and allows us to compute the decomposition for any real matrix that is not necessarily symmetric or positive definite. We formulate the problem of seeking such a decomposition as an optimization problem with a nonlinear and non-convex loss function. Several modern versions of the gradient descent method, including their scalable stochastic counterparts, are used to solve this problem. We provide extensive empirical evidence of the effectiveness of the RBF decomposition and that of the gradient-based fitting algorithm. While being conceptually motivated by singular value decomposition (SVD), our proposed nonlinear counterpart outperforms SVD by drastically reducing the memory required to approximate a data matrix with the same L2 error for a wide range of matrix types. For example, it leads to 2 to 6 times memory save for Gaussian noise, graph adjacency matrices, and kernel matrices. Moreover, this proximity-based decomposition can offer additional interpretability in applications that involve, e.g., capturing the inner low-dimensional structure of the data, retaining graph connectivity structure, and preserving the acutance of images.

Rebrova, Elizaveta↗

Data-driven estimation of energy consumption for electric bus under real-world driving conditions

Reliable and accurate estimation of an electric bus’s instantaneous energy consumption is critical in evaluating energy impacts of planning and control of electric bus operations. In this study, we developed machine learning-based long short-term memory (LSTM) and artificial neural network (ANN) models to estimate 1 Hz energy consumption of electric buses based on continuous monitoring data of electric buses in Chattanooga, Tennessee, in 2019 and 2020. We propose a data-partitioning algorithm to separate energy charging and discharging modes before applying data-driven estimation models. Here, a K-fold cross-validation-based model selection process was conducted to identify the optimal model structure and input variables in terms of prediction accuracy. The estimation results show the predicted mean absolute percentage error rates of LSTM and ANN models were 3% and 5%, respectively. We compared the proposed models with existing models in the literature based on the same testing data to demonstrate the predictability of our models.

Artificial neural network↗

The ATLAS Fast TracKer system

The ATLAS Fast TracKer (FTK) was designed to provide full tracking for the ATLAS high-level trigger by using pattern recognition based on Associative Memory (AM) chips and fitting in high-speed field programmable gate arrays. The tracks found by the FTK are based on inputs from all modules of the pixel and silicon microstrip trackers. The as-built FTK system and components are described, as is the online software used to control them while running in the ATLAS data acquisition system. Also described is the simulation of the FTK hardware and the optimization of the AM pattern banks. An optimization for long-lived particles with large impact parameter values is included. A test of the FTK system with the data playback facility that allowed the FTK to be commissioned during the shutdown between Run 2 and Run 3 of the LHC is reported. The resulting tracks from part of the FTK system covering a limited $\eta$-$\phi$ region of the detector are compared with the output from the FTK simulation. It is shown that FTK performance is in good agreement with the simulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improving deep learning performance for predicting large-scale geological ${{CO}_{2}}$ sequestration modeling through feature coarsening

Physics-based reservoir simulation for fluid flow in porous media is a numerical simulation method to predict the temporal-spatial patterns of state variables (e.g. pressure p) in porous media, and usually requires prohibitively high computational expense due to its non-linearity and the large number of degrees of freedom (DoF). This work describes a deep learning (DL) workflow to predict the pressure evolution as fluid flows in large-scale 3-dimensional(3D) heterogeneous porous media. In particular, we develop an efficient feature coarsening technique to extract the most representative information and perform the training and prediction of DL at the coarse scale, and further recover the resolution at the fine scale by spatial interpolation. We validate the DL approach to predict pressure field against physics-based simulation data for a field-scale 3D geologic CO 2 sequestration reservoir model. We evaluate the impact of feature coarsening on DL performance, and observe that the feature coarsening not only decreases the training time by >74% and reduces the memory consumption by >75%, but also maintains temporal error 0.63% on average. Besides, the DL workflow provides predictive efficiency with 1406 times speedup compared to physics-based numerical simulation. The key findings from this research significantly improve the training and prediction efficiency of deep learning model to deal with large-scale heterogeneous reservoir models, and thus it can also be further applied to accelerate workflows of history matching and reservoir optimization for close-loop reservoir management.

58 GEOSCIENCES↗