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At least 1,765 records · Page 98

Predicting rare events using neural networks and short-trajectory data

Estimating the likelihood, timing, and nature of events is a major goal of modeling stochastic dynamical systems. When the event is rare in comparison with the timescales of simulation and/or measurement needed to resolve the elemental dynamics, accurate prediction from direct observations becomes challenging. In such cases a more effective approach is to cast statistics of interest as solutions to Feynman-Kac equations (partial differential equations). Here, we develop an approach to solve Feynman-Kac equations by training neural networks on short-trajectory data. Our approach is based on a Markov approximation but otherwise avoids assumptions about the underlying model and dynamics. This makes it applicable to treating complex computational models and observational data. Additionally, we illustrate the advantages of our method using a low-dimensional model that facilitates visualization, and this analysis motivates an adaptive sampling strategy that allows on-the-fly identification of and addition of data to regions important for predicting the statistics of interest. Finally, we demonstrate that we can compute accurate statistics for a 75-dimensional model of sudden stratospheric warming. This system provides a stringent test bed for our method.

97 MATHEMATICS AND COMPUTING↗

ATDM LANL FleCSI: Topology and Execution Framework

FleCSI is a compile-time configurable C++ framework designed to support multi-physics application development. As such, FleCSI attempts to provide a very general set of infrastructure design patterns that can be specialized and extended to suit the needs of a broad variety of solver and data requirements. This means that FleCSI is potentially useful to many different ECP projects. Current support includes multidimensional mesh topology, mesh geometry, and mesh adjacency information, n-dimensional hashed-tree data structures, graph partitioning interfaces, and dependency closures (to identify data dependencies between distributed-memory address spaces). FleCSI introduces a functional programming model with control, execution, and data abstractions that are consistent with state-of-the-art task-based runtimes such as Legion and Charm++. The model also provides support for fine-grained, data-parallel execution with backend support for runtimes such as OpenMP and C++17. The FleCSI abstraction layer provides the developer with insulation from the underlying runtimes, while allowing support for multiple runtime systems, including conventional models like asynchronous MPI. The intent is to give developers a concrete set of user-friendly programming tools that can be used now, while allowing flexibility in choosing runtime implementations and optimizations that can be applied to architectures and runtimes that arise in the future. This project is essential to the ECP Ristra Next-Generation Code project, part of ASC ATDM, because it provides a hierarchically parallel programming model that is consistent with the design of modern system architectures, but which allows for the straightforward expression of algorithmic parallelism in a portably performant manner.

97 MATHEMATICS AND COMPUTING↗

Generating HPC Job Profiles and Expectations with Time-Series Data - Showcase Presentation

Summary: Job Profiles and Expectations provide important insights into workloads (Job Profile: window into how a job is running; Job Expectation: Is that job behaving as expected; Provides us with actionable information). Machine learning can be used to group job runs into workload types (Identified groups can then be used for generate expectations); Profiles and Expectations also enable the study of: System-wide events, tracking system changes; System resource utilization and scheduling; Marking log data for further investigation or failures/anomalies.

97 MATHEMATICS AND COMPUTING↗

Performance Analysis, Modeling and Scaling of HPC Applications and Tools

E cient use of supercomputers at DOE centers is vital for maximizing system throughput, mini- mizing energy costs and enabling science breakthroughs faster. This requires complementary e orts along several directions to optimize the performance of scienti c simulation codes and the under- lying runtimes and software stacks. This in turn requires providing scalable performance analysis tools and modeling techniques that can provide feedback to physicists and computer scientists developing the simulation codes and runtimes respectively. The PAMS project is using time allocations on supercomputers at ALCF, NERSC and OLCF to further the goals described above by performing research along the following fronts: 1. Scaling Study of HPC applications; 2. Evaluation of Programming Models; 3. Hardening of Performance Tools; 4. Performance Modeling of Irregular Codes; and 5. Statistical Analysis of Historical Performance Data. We are a team of computer and computational scientists funded by both DOE/NNSA and DOE/ ASCR programs such as ECRP, XStack (Traleika Glacier, PIPER), ExaOSR (ARGO), SDMAV II (MONA) and PSAAP II (XPACC). This allocation will enable us to study big data issues when analyzing performance on leadership computing class systems and to assist the HPC community in making the most e ective use of these resources.

97 MATHEMATICS AND COMPUTING↗

Recent evolution of the offline computing model of the NOvA experiment

The NOvA experiment at Fermilab is a long-baseline neutrino experiment designed to study ν e appearance in a ν μ beam. Over the last few years there has been intense work to streamline the computing infrastructure in preparation for data, which started to flow in from the far detector in Fall 2013. Major accomplishments for this effort include migration to the use of off-site resources through the use of the Open Science Grid and upgrading the file-handling framework from simple disk storage to a tiered system using a comprehensive data management and delivery system to find and access files on either disk or tape storage. NOvA has already produced more than 6.5 million files and more than 1 PB of raw data and Monte Carlo simulation files which are managed under this model. In addition, the current system has demonstrated sustained rates of up to 1 TB/hour of file transfer by the data handling system. NOvA pioneered the use of new tools and this paved the way for their use by other Intensity Frontier experiments at Fermilab. Most importantly, the new framework places the experiment's infrastructure on a firm foundation, and is ready to produce the files needed for first physics.

97 MATHEMATICS AND COMPUTING↗

A Scalable Algorithm for Radiative Heat Transfer Using Reverse Monte Carlo Ray Tracing

Radiative heat transfer is an important mechanism in a class of challenging engineering and research problems. A direct all-to-all treatment of these problems is prohibitively expensive on large core counts due to pervasive all- to-all MPI communication. The massive heat transfer problem arising from the next generation of clean coal boilers being modeled by the Uintah framework has radiation as a dominant heat transfer mode. Reverse Monte Carlo ray tracing (RMCRT) can be used to solve for the radiative-flux divergence while accounting for the effects of participating media. The ray tracing approach used here replicates the geometry of the boiler on a multi-core node and then uses an all-to-all communication phase to distribute the results globally. The cost of this all-to-all is reduced by using an adaptive mesh approach in which a fine mesh is only used locally, and a coarse mesh is used elsewhere. Here, a model for communication and computation complexity is used to predict performance of this new method. We show this model is consistent with observed results and demonstrate excellent strong scaling to 262K cores on the DOE Titan system on problem sizes that were previously computationally intractable.

97 MATHEMATICS AND COMPUTING↗

Simulated convective systems using a cloud resolving model: Impact of large-scale temperature and moisture forcing using observations and GEOS-3 reanalysis

The GCE (Goddard Cumulus Ensemble) model, which has been developed and improved at NASA Goddard Space Flight Center over the past two decades, is considered as one of the finer and state-of-the-art CRMs (Cloud Resolving Models) in the research community. As the chosen CRM for a NASA Interdisciplinary Science (IDS) Project, GCE has recently been successfully upgraded into an MPI (Message Passing Interface) version with which great improvement has been achieved in computational efficiency, scalability, and portability. By basically using the large-scale temperature and moisture advective forcing, as well as the temperature, water vapor and wind fields obtained from TRMM (Tropical Rainfall Measuring Mission) field experiments such as SCSMEX (South China Sea Monsoon Experiment) and KWAJEX (Kwajalein Experiment), our recent 2-D and 3-D GCE simulations were able to capture detailed convective systems typical of the targeted (simulated) regions. The GEOS-3 [Goddard EOS (Earth Observing System) Version-3] reanalysis data have also been proposed and successfully implemented for usage in the proposed/performed GCE long-term simulations (i.e., aiming at producing massive simulated cloud data -- Cloud Library) in compensating the scarcity of real field experimental data in both time and space (location). Preliminary 2-D or 3-D pilot results using GEOS-3 data have generally showed good qualitative agreement (yet some quantitative difference) with the respective numerical results using the SCSMEX observations. The first objective of this paper is to ensure the GEOS-3 data quality by comparing the model results obtained from several pairs of simulations using the real observations and GEOS-3 reanalysis data. The different large-scale advective forcing obtained from these two kinds of resources (i.e., sounding observations and GEOS-3 reanalysis) has been considered as a major critical factor in producing various model results. The second objective of this paper is therefore to investigate and present such an impact of large-scale forcing on various modeled quantities (such as hydrometeors, rainfall, and etc.). A third objective is to validate the overall GCE 3-D model performance by comparing the numerical results with sounding observations, as well as available satellite retrievals.

Shie, C.-L.↗

Quantum information and quantum simulation of neutrino physics

In extreme astrophysical environments such as core-collapse supernovae and binary neutron star mergers, neutrinos play a major role in driving various dynamical and microphysical phenomena, such as baryonic matter outflows, the synthesis of heavy elements, and the supernova explosion mechanism itself. The interactions of neutrinos with matter in these environments are flavor-specific, which makes it of paramount importance to understand the flavor evolution of neutrinos. Flavor evolution in these environments can be a highly nontrivial problem thanks to a multitude of collective effects in flavor space, arising due to neutrino-neutrino ($v$-$v$) interactions in regions with high neutrino densities. A neutrino ensemble undergoing flavor oscillations under the influence of significant $v$-$v$ interactions is somewhat analogous to a system of coupled spins with long-range interactions among themselves and with an external field (‘long-range’ in momentum-space in the case of neutrinos). As a result, it becomes pertinent to consider whether these interactions can give rise to significant quantum correlations among the interacting neutrinos, and whether these correlations have any consequences for the flavor evolution of the ensemble. In particular, one may seek to utilize concepts and tools from quantum information science and quantum computing to deepen our understanding of these phenomena. In this article, we attempt to summarize recent work in this field. In conclusion, we also present some new results in a three-flavor setting, considering complex initial states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Basic Research Needs for Inverse Methods for Complex Systems under Uncertainty [Brochure]

The four priority research directions outlined in this brochure represent a cohesive vision for advancing the science of inverse problems for complex systems under uncertainty. Together, they address the critical challenges of: discovering, exploiting, and preserving physical and problem structure; overcoming model limitations; integrating disparate, multimodal, and/or dynamic data; and tailoring the solution of inverse problems to downstream tasks. While each PRD focuses on a distinct aspect of inverse-problem research, their interconnected nature highlights the importance of a holistic approach that leverages progress across all areas to achieve transformative solutions. This agenda calls for research across mathematics, statistics, and computer science disciplines, which are guided and complemented by rapid advances in artificial intelligence, high-performance computing, and experimental facilities, to unlock new capabilities, maximize scientific impact, and meet the growing demands of inverse problems that arise across applications that are critical to DOE's mission.

97 MATHEMATICS AND COMPUTING↗

Intelligent Computational Systems. Opening Remarks: CFD Application Process Workshop

This discussion will include a short review of the challenges that must be overcome if computational physics technology is to have a larger impact on the design cycles of U.S. aerospace companies. Some of the potential solutions to these challenges may come from the information sciences fields. A few examples of potential computational physics/information sciences synergy will be presented, as motivation and inspiration for the Improving The CFD Applications Process Workshop.

VanDalsem, William R.↗

Implementation of a Very Large Atmospheric Correction Lookup Table for ASTER Using a Relational Database Management System

The Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER)is designed to provide a high resolution map of the Earth in both visible, near-infrared, and thermal spectral regions of the electromagnetic spectrum. The ASTER Science Team has developed several standard data product algorithms, but the most complex aod computing-intensive of these is the estimation of surface radiance and reflectance values, which is done by modeling and correcting for the effects of the atmosphere. The algorithm for atmospheric correction in the visible bands sensed by ASTER calls for use of a very large Atmospheric Correction Look Up Table (ACLUT).

ASTER↗

Cloud-Based Numerical Weather Prediction for Near Real-Time Forecasting and Disaster Response

The use of cloud computing resources continues to grow within the public and private sector components of the weather enterprise as users become more familiar with cloud‐computing concepts, and competition among service providers continues to reduce costs and other barriers to entry. Cloud resources can also provide capabilities similar to high‐performance computing environments, supporting multi‐node systems required for near real‐time, regional weather predictions. Referred to as "Infrastructure as a Service", or IaaS, the use of cloud-based computing hardware in an on‐demand payment system allows for rapid deployment of a modeling system in environments lacking access to a large, supercomputing infrastructure. Use of IaaS capabilities to support regional weather prediction may be of particular interest to developing countries that have not yet established large supercomputing resources, but would otherwise benefit from a regional weather forecasting capability. Recently, collaborators from NASA Marshall Space Flight Center and Ames Research Center have developed a scripted, on‐demand capability for launching the NOAA/NWS Science and Training Resource Center (STRC) Environmental Modeling System (EMS), which includes pre‐compiled binaries of the latest version of the Weather Research and Forecasting (WRF) model. The WRF‐EMS provides scripting for downloading appropriate initial and boundary conditions from global models, along with higher‐resolution vegetation, land surface, and sea surface temperature data sets provided by the NASA Short‐term Prediction Research and Transition (SPoRT) Center. This presentation will provide an overview of the modeling system capabilities and benchmarks performed on the Amazon Elastic Compute Cloud (EC2) environment. In addition, the presentation will discuss future opportunities to deploy the system in support of weather prediction in developing countries supported by NASA's SERVIR Project, which provides capacity building activities in environmental monitoring and prediction across a growing number of regional hubs throughout the world. Capacity‐building applications that extend numerical weather prediction to developing countries are intended to provide near real‐time applications to benefit public health, safety, and economic interests, but may have a greater impact during disaster events by providing a source for local predictions of weather‐related hazards, or impacts that local weather events may have during the recovery phase.

Molthan, Andrew↗

Automated Blazar Light Curves Using Machine Learning

Every night in a remote clearing called Fenton Hill high in the Jemez Mountains of central New Mexico, a bank of robotically controlled telescopes tilt their lenses to the sky for another round of observation through digital imaging. Los Alamos National Laboratory’s Thinking Telescopes project is watching for celestial transients including high-power cosmic flashes called, and like all science, it can be messy work. To keep the project clicking along, Los Alamos scientists routinely install equipment upgrades, maintain the site, and refine the sophisticated machinelearning computer programs that process those images and extract useful data from them. Each week the system amasses 100,000 digital images of the heavens, some of which are compromised by clouds, wind gusts, focus problems, and so on. For a graduate student at the Lab taking a year’s break between master’s and Ph.D. studies, working with state-of-the-art autonomous telescopes that can make fundamental discoveries feels light years beyond the classroom.

79 ASTRONOMY AND ASTROPHYSICS↗

Improved Models of Long-Term Creep Behavior of High Performance Structural Alloys

In this program, QuesTek Innovations LLC, a leader in the field of computational materials design, proposes to develop a robust creep-modeling toolkit that expands its computational Materials by Design® technology, in order to predict the long-term creep performance of materials for base alloys and weldments in fossil energy systems under wide thermal and mechanical conditions. The Material Database Group of NIMS (National Institute for Material Science, JAPAN) provides reliable public data for long-term creep behavior over 300,000 hours (> 34 years) for a variety of materials including high Cr steels along with seminal work performed by EPRI (Electric Power Research Institute) on creep failure of these steels. QuesTek would rely on these premier institutions for experimental data needed to calibrate models. The developed tool has wider applications than the state-of-the-art modeling tools. It includes the effects of chemistry variations, microstructure variation (weldments) etc .which is lacking in many available models requiring the model to be calibrated to large number of datasets for accurate predictions. A model based on fundamental mechanism has promises in application to different materials, other than the demonstrated material (Grade 91 steels) in the current program. As a result of such an effort, we envision greatly advancing the state-of-the-art modeling tools for creep life assessments of different materials.

20 FOSSIL-FUELED POWER PLANTS↗

HOSS: Hybrid Optimization Software Suite

HOSS software, developed at LANL, is a powerful, flexible, and parallelized package that enables the user to predict deformation and failure of materials in a variety of situations. LANL’s HOSS software is an R&D 100 finalist that integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to handle millions of interacting and fracturing solids and/or particle systems. This nextgeneration simulation software integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to provide state-of-the-art simulation solutions for a wide field of applications including oil and gas, construction, mining, defense, material sciences, and biomechanics.

36 MATERIALS SCIENCE↗

Resource Allocation Planning Helper (RALPH): Lessons learned

The current task of Resource Allocation Process includes the planning and apportionment of JPL's Ground Data System composed of the Deep Space Network and Mission Control and Computing Center facilities. The addition of the data driven, rule based planning system, RALPH, has expanded the planning horizon from 8 weeks to 10 years and has resulted in large labor savings. Use of the system has also resulted in important improvements in science return through enhanced resource utilization. In addition, RALPH has been instrumental in supporting rapid turn around for an increased volume of special what if studies. The status of RALPH is briefly reviewed and important lessons learned from the creation of an highly functional design team are focused on through an evolutionary design and implementation period in which an AI shell was selected, prototyped, and ultimately abandoned, and through the fundamental changes to the very process that spawned the tool kit. Principal topics include proper integration of software tools within the planning environment, transition from prototype to delivered to delivered software, changes in the planning methodology as a result of evolving software capabilities and creation of the ability to develop and process generic requirements to allow planning flexibility.

Durham, Ralph↗

Cassini Archive Tracking System

The Cassini Archive Tracking System (CATS) is a computer program that enables tracking of scientific data transfers from originators to the Planetary Data System (PDS) archives. Without CATS, there is no systematic means of locating products in the archive process or ensuring their completeness. By keeping a database of transfer communications and status, CATS enables the Cassini Project and the PDS to efficiently and accurately report on archive status. More importantly, problem areas are easily identified through customized reports that can be generated on the fly from any Web-enabled computer. A Web-browser interface and clearly defined authorization scheme provide safe distributed access to the system, where users can perform functions such as create customized reports, record a transfer, and respond to a transfer. CATS ensures that Cassini provides complete science archives to the PDS on schedule and that those archives are available to the science community by the PDS. The three-tier architecture is loosely coupled and designed for simple adaptation to multimission use. Written in the Java programming language, it is portable and can be run on any Java-enabled Web server.

Conner, Diane↗

Human and Robotic Space Mission Use Cases for High-Performance Spaceflight Computing

Spaceflight computing is a key resource in NASA space missions and a core determining factor of spacecraft capability, with ripple effects throughout the spacecraft, end-to-end system, and the mission; it can be aptly viewed as a "technology multiplier" in that advances in onboard computing provide dramatic improvements in flight functions and capabilities across the NASA mission classes, and will enable new flight capabilities and mission scenarios, increasing science and exploration return per mission-dollar.

flight computing↗