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At least 631 records · Page 35

Chance-Constrained Optimization for Critical Infrastructure Protection

Stochastic optimization deals with making highly reliable decisions under uncertainty. Chance constraints are a crucial tool of stochastic optimization to develop mathematical optimization models; they form the backbone of many important national security data science applications. These include critical infrastructure resiliency, cyber security, power system operations, and disaster relief management. However, existing algorithms to solve chance-constrained optimization models are severely limited by problem size and structure. In this investigative study, we (i) develop new algorithms to approximate chance-constrained optimization models, (ii) demonstrate the application of chance-constraints to a national security problem, and (iii) investigate related stochastic optimization problems. We believe our work will pave way for new research is stochastic optimization as well as secure national infrastructures against unforeseen attacks.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Gluonic Excitations in Mesons

This award provided support for the Massachusetts Institute of Technology (MIT) to work on the GlueX experiment at Jefferson Lab (JLab). The MIT-GlueX group played a leading role in the development of an upgraded particle-identification system and in employing data-driven methods for calibrating GlueX data. In addition, our group focused on advancing the usage of machine learning algorithms and other state-of-the-art data science tools within the domain of nuclear physics research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data Analysis for the Born Qualified Grand LDRD Project

This report summarizes the data analysis activities that were performed under the Born Qualified Grand Challenge Project from 2016 - 2018. It is meant to document the characterization of additively manufactured parts and processes for this project as well as demonstrate and identify further analyses and data science that could be done relating material processes to microstructure to properties to performance.

42 ENGINEERING↗

Nonlinear Optimization Methods for Large-Scale Learning

Future advances in large-scale machine learning depend heavily on the availability of new and more powerful nonlinear optimization methods. The goal of this project is to address this challenge by designing new optimization algorithms that can deal with the scale, nonlinearity and stochasticity arising in machine learning models. Our research will provide the theoretical foundations for the new methods, and will involve intensive numerical testing on state-of-the-art machine learning systems. The project is organized into three interrelated projects that constitute a broad research agenda in the area of large-scale stochastic optimization for data science.

97 MATHEMATICS AND COMPUTING↗

Next-Generation Search for Solar Axion Dark Matter with the International Axion Observatory

The International Axion Observatory (IAXO) was first proposed in 2011[1]-[5]. With this proposal our LDRD team, founding member of IAXO has been able to play a leading role in the IAXO experiment. We have participated in technical, scientific and organizational IAXO meetings to shape the future of the experiment. We accomplished the layout of the first-ever full-revolution telescope for solar axion searches[6]-[10] and expanded the science reach of IAXO from standard axion searches to new and potentially more exotic opportunities, such as other dark matter candidates, hidden sector particles or dark energy searches [11]-[20]. We also fulfilled the analysis of axion science data previously collected with the LLNL IAXO pathfinder x-ray telescope (XRT) [21] at the European Organization for Nuclear Research particle physics (CERN) located near Geneva, Switzerland, by means of the CERN Axion Solar Experiment (CAST). Moreover, LDRD PI Dr. Julia K. Vogel has officially been elected as Deputy Spokesperson of IAXO.

79 ASTRONOMY AND ASTROPHYSICS↗

GentenMPI: Distributed Memory Sparse Tensor Decomposition

GentenMPl is a toolkit of sparse canonical polyadic (CP) tensor decomposition algorithms that is designed to run effectively on distributed-memory high-performance computers. Its use of distributed-memory parallelism enables it to efficiently decompose tensors that are too large for a single compute node's memory. GentenMPl leverages Sandia's decades-long investment in the Trilinos solver framework for much of its parallel-computation capability. Trilinos contains numerical algorithms and linear algebra classes that have been optimized for parallel simulation of complex physical phenomena. This work applies these tools to the data science problem of sparse tensor decomposition. In this report, we describe the use of Trilinos in GentenMPl, extensions needed for sparse tensor decomposition, and implementations of the CP-ALS (CP via alternating least squares) and GCP-SGD (generalized CP via stochastic gradient descent) sparse tensor decomposition algorithms. We show that GentenMPl can decompose sparse tensors of extreme size, e.g., a 12.6-terabyte tensor on 8192 computer cores. We demonstrate that the Trilinos backbone provides good strong and weak scaling of the tensor decomposition algorithms.

97 MATHEMATICS AND COMPUTING↗

Global Disease Modeling & Forecasting Center [PowerPoint]

The Global Disease Modeling & Forecasting Center works in union with academia, industry, the US Government and global partners to develop, validate, and operationalize epidemiological models to combat infectious diseases. It's mission is to Apply multi-scale modeling and advanced data science to help the world detect, understand, forecast, prevent, and provide decision support in response to emerging and re-emerging disease outbreaks. The presentation explains LANL's role in more detail.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation & Development of Algorithms & Techniques for Streaming Detector Readout

The advancement in microelectronics capabilities, computing, and data science in the last decade has been remarkable. With the start of the 12 GeV Science Program at Jefferson Lab (JLab) and the conceptual detector design for the upcoming Ion Collider (EIC) in mind, we have evaluated and developed the possibility of evolving and improving the existing nuclear science research workflow based on these advances. Specifically, we have prototyped components of streaming readout.

43 PARTICLE ACCELERATORS↗

Workshop Report for Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications

Artificial intelligence (AI) promises powerful new capabilities in an expansive array of applications. One area is proliferation detection, where AI can provide transformative tools to achieve objectives currently inaccessible using conventional methods. In particular, AI affords the opportunity to use new indicators and process massive amounts of heterogeneous data that can increase sensitivity to proliferant activities and push proliferation detection to the earliest possible stages. However, existing AI tools are not ready to achieve such potential, falling short in regard to some important considerations involved in proliferation detection. One crucial aspect that requires improvement is the explainability of the most powerful AI algorithms (i.e., understanding how the algorithms actually arrive at their conclusions)-the lack of which prevents widespread adoption in national security missions. The Data Science and AI portfolio within the National Nuclear Security Administration's Office of Defense Nuclear Nonproliferation Research and Development is driving the development of next-generation AI for proliferation detection through the expertise and work of the national laboratories and partners in academia. The "Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications" workshop aimed to further this objective. The meeting was held virtually on Sept. 15-16, 2020 and included more than 170 participants, primarily from the national laboratories with additional contributions from university researchers and mission partners. Each day included a keynote presentation, four technical presentations about cutting-edge research in explainability, and a panel to explore considerations in applying explainability and developing AI systems that can accelerate the transition of emerging AI technologies among partners and end users to solve critical mission questions. This report summarizes the Next-Gen AI for Proliferation Detection workshop's content and findings.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

AI Automated Discovery of New Climate Water System Knowledge from Models and Observations

This paper addresses focus area 3, “Insight gleaned from complex data.” Science Challenge: The climate-water system is highly complex, containing a multitude of positive and negative feedbacks, time scales stretching many orders-of-magnitudes, and non-linear, connected processes. Powerful artificial intelligence (AI) methods can revolutionize and automate the discovery of new knowledge and relationships in the climate-water system, which will improve understanding and predictability of extreme hydrological events.

54 ENVIRONMENTAL SCIENCES↗

EAM-HLR: Enhancing the low-resolution E3SM Atmosphere Model with an ML model of high-low-resolution residual in convective processes

Focal Area(s). (2) Augment the low-resolution (LR) E3SM Atmosphere Model (EAM) with a machine learning (ML) column model of the residual in convective processes with respect to high-resolution (HR) and ultra-HR (UHR) simulation and observational data. Science Challenge. Substantially improve LR EAM climatology to increase multidecadal water cycle (WC) predictability.

54 ENVIRONMENTAL SCIENCES↗

Brain Connectivity Workshop Series Report

The National Institutes of Health (NIH) BRAIN Initiative aims to accelerate development and application of technologies that show how individual brain cells in complex neural circuits interact at the speed of thought and action. Complete wiring diagrams of the mammalian brain will revolutionize the capabilities of researchers to formulate and test models of how activity within brain circuits drives coordinated function and behavior. A top priority for the BRAIN Initiative, motivated by the strategic guidance of the BRAIN 2.0 Working Group report, is to muster the resources and foster the collaborations needed to generate these wiring diagrams at the level of long-range projections (“projectomes”) and synapses (“connectomes”) in whole mammalian brains, including those from rodents, humans, and other large-brained mammals. Achieving the scale and resolution necessary to characterize and use these projectomes and connectomes will not only push the boundaries of current imaging and computational capabilities to generate faster, cheaper, and more scalable technologies, but also drive broad innovation in data science, artificial intelligence, and machine learning.

42 ENGINEERING↗

Uncertainty Quantification of Microstructural Material Variability Effects

This project has developed models of variability of performance to enable robust design and certification. Material variability originating from microstructure has significant effects on component behavior and creates uncertainty in material response. The outcomes of this project are uncertainty quantification (UQ) enabled analysis of material variability effects on performance and methods to evaluate the consequences of microstructural variability on material response in general. Material variability originating from heterogeneous microstructural features, such as grain and pore morphologies, has significant effects on component behavior and creates uncertainty around performance. Current engineering material models typically do not incorporate microstructural variability explicitly, rather functional forms are chosen based on intuition and parameters are selected to reflect mean behavior. Conversely, mesoscale models that capture the microstructural physics, and inherent variability, are impractical to utilize at the engineering scale. Therefore, current efforts ignore physical characteristics of systems that may be the predominant factors for quantifying system reliability. To address this gap we have developed explicit connections between models of microstructural variability and component/system performance. Our focus on variability of mechanical response due to grain and pore distributions enabled us to fully probe these influences on performance and develop a methodology to propagate input variability to output performance. This project is at the forefront of data-science and material modeling. We adapted and innovated from progressive techniques in machine learning and uncertainty quantification to develop a new, physically-based methodology to address the core issues of the Engineering Materials Reliability (EMR) research challenge in modeling constitutive response of materials with significant inherent variability and length-scales.

36 MATERIALS SCIENCE↗

Radiographic Imaging and Tomography

Radiographic imaging and tomography (RadIT) come in many flavors such as X-ray imaging and tomography (IT), proton IT, neutron IT, muon IT, neutrino IT, etc. We identify five RadIT themes: Physics, Sources, Detectors, Methods, and Data Science, which are integral parts of image interpretation and three-dimensional (3D) tomographic reconstruction. Traditionally, RadIT have been driven by medicine, non-destructive testing, material sciences, and security applications. The latest thrusts of growth come from automation, machine vision, additive manufacturing and virtual reality (‘metaverse’). The five RadIT themes parallel their counterparts in optical IT. Synergies among different forms of RadIT and with optical IT motivate further advances towards multi-modal IT and quantum IT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Cyber-Attack Detection and Accommodation for the Energy Delivery System

The goals of this project were to create a software system with a suite of key algorithms for cyber-attack detection and accommodation providing domain layer protection for critical power generation assets. Example assets included gas and steam turbines, heat recovery steam generators, and electrical generators. The aggressive algorithm goals were aimed at reducing the false positive rates in threat detection to <1% using learnings from many evolving disciplines (power turbine and generator physics, power system modeling, modern control theory, system identification, machine learning, deep learning, mathematics and data science). Additional goals for the algorithms involved localizing threats on-the-fly to know in which monitoring node the effects of attacks are present, and then providing accommodation to keep the system running uninterrupted much of the time in the presence of the attack. Accommodation had a performance goal of providing resiliency when up to 50% of monitoring nodes are in an attack state.

cybersecurity, cyber-physical↗

Predicting and Controlling Corrosion (Abbreviated Final Report)

Corrosion accumulates significant replacement costs in the transportation, utility, manufacturing, and infrastructure sectors. It also underpins several of LLNL’s core missions in stockpile stewardship, defense, and energy security. Whereas most corrosion and aging models are empirically parameterized to describe well-defined conditions late in the reaction, the factors that determine the early stages of corrosion—during which mitigation could be most impactful— are poorly understood. This project addressed the critical need for new approaches to predict the kinetics of corrosion initiation based on firm physical and chemical understanding. The activities encompassed degradation of relevant metals in both hydrogen-rich and environmental corrosion scenarios. The team integrated state-of-the-art multiscale simulation, in situ characterization, and data science within three technical thrusts: hydriding of Ti alloys; aqueous corrosion of Al and Ni-Cr alloys; and degradation of additively manufactured 316L stainless steel. In each case, novel capabilities were developed to identify and track the impacts of key atomistic, compositional, and microstructural features on the metal systems. For hydriding, protocols were developed to tightly integrate multiscale models, advanced multimodal characterization, and machine learning to determine how hydrogen interacts with native passivating surface oxides and nucleates new undesired phases, shedding new light on the critical role of grain boundaries, interfaces, and atomically disordered regions. For aqueous corrosion, the project demonstrated methods to predict dissolution rates of metal surfaces in corrosive solutions, to measure and understand microstructural and grain orientation effects on corrosion susceptibility, and to investigate competing growth and dissolution kinetics of surface oxides. For additively manufactured metals, analysis using state-of-the-art microscopy techniques revealed the role of specific heterogeneities invoked during laser processing, including cellular structure, dislocations, and precipitates, on corrosion susceptibility. In addition to new capabilities and understanding, the project provided an avenue for workforce development, as well as key partnerships with stakeholders in corrosion science.

08 HYDROGEN↗