Nuclear Science User Facilities High Performance Computing: Artificial Intelligence and Machine Learning Software Training for Researchers
Artificial Intelligence and Machine Learning Software Training for Researchers
99 GENERAL AND MISCELLANEOUS↗
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Workshop Report on Basic Research Needs for Scientific Machine Learning: Core Technologies for Artificial Intelligence
Scientific Machine Learning (SciML) and Artificial Intelligence (AI) will have broad use and transformative effects across the Department of Energy. Accordingly, the January 2018 Basic Research Needs workshop identified six Priority Research Directions (PRDs). The first three PRDs describe foundational research themes that correspond to the need for domain-awareness (PRD #1), interpretability (PRD #2), and robustness (PRD #3). The other three PRDs describe capability research themes and correspond to the three major use cases for massive scientific data analysis (PRD #4), machine learning-enhanced modeling and simulation (PRD #5), and intelligent automation and decision-support for complex systems (PRD #6). The Priority Research Directions provide a sound basis for a coherent, long-term research and development strategy in SciML and AI. Over the last decade, DOE investments in applied mathematics have laid the groundwork for the type of basic research that will underpin key advances in the six PRDs. Such advances will build on the work from leading researchers in optimization, linear algebra, high-performance solvers and algorithms, multiscale modeling and simulation, complex systems research, uncertainty quantification, and the new basic research areas that will emerge from the pursuit of transformative technologies.
97 MATHEMATICS AND COMPUTING↗
From the Starship Enterprise to Los Alamos National Laboratory: Artificial Intelligence and Machine Learning in the NSRC
Artificial Intelligence (AI) conjures up different emotions in different people. Some view it with fear, imagining a malevolent AI similar to Skynet in the Terminator movies. Others see something benevolent, such as the character Data in Star Trek: The Next Generation. Still others see it as a means to advance the frontiers of science, engineering, and technology to new levels not possible through traditional means. At the National Security Research Center (NSRC or the Center), we see AI as a tool to help us go through the monumental tasks we have in digitizing, cataloging, and searching our collections.
97 MATHEMATICS AND COMPUTING↗
Assessment of Data-Management Infrastructure Needs for Production Use of Advanced Machine Learning and Artificial Intelligence: Tri-Lab Level II Milestone (8554)
A robust data-management infrastructure is a key enabler for National Security Enterprise (NSE) capabilities in artificial intelligence and machine learning. This document describes efforts from a team of researchers at Sandia National Laboratories, Los Alamos National Laboratory, and Livermore National Laboratory to complete ASC Level II milestone #8854 “Assessment of Data-Management Infrastructure Needs for Production use of Advanced Machine learning and Artificial Intelligence.”
97 MATHEMATICS AND COMPUTING↗
Partnering with Artificial Intelligence
Machine learning is behind many of the surprising and technology advances in recent years – driverless cars, personal voice assistants, and facial recognition. But machine learning - an offshoot of artificial intelligence that encourages computers to learn hidden patterns and make novel predictions without being explicitly programmed – requires human partnership. Artificial intelligence is playing a significant role in defining new research methods that bring us to resolution or discovery more quickly than ever before. Argonne is using or developing many of these technologies as AI extends to new branches of science and technology.
97 MATHEMATICS AND COMPUTING↗
Artificial Intelligence and Machine Learning Applications in Modern Power Systems
Machine learning (ML) and artificial intelligence (AI) algorithms offer valuable tools for the analysis and interpretation of large datasets. These tools have the capability to uncover insights that may not be readily apparent within these datasets. In recent years, the integration of ML and AI has become increasingly prevalent in various applications within the power system domain. One of the earliest instances of machine learning in power systems can be traced back to demand forecasting, where artificial neural networks were employed for short-term load forecasting. In contemporary power systems, an abundance of high-resolution geospatial and temporal data is generated at various time intervals, ranging from sub-seconds (Phasor Measurement Units or PMUs) to seconds (Supervisory Control and Data Acquisition or SCADA), minutes (Process Information or PI), and extending to days, months, and years. These datasets contain valuable information concerning system reliability and performance. This information holds the potential to offer critical insights into system operations, as well as solutions for predicting and mitigating contingencies to prevent cascading outages. Despite the immense power of machine learning tools, system operators, planners, and utilities often exhibit hesitancy in fully embracing AI-enabled system operations and planning. This cautious approach persists, even as numerous diverse applications of machine learning continue to emerge in the realm of power systems. In this chapter, our focus will delve deep into ML and AI applications tailored for power systems. These applications aim to furnish system operators with enhanced situational awareness and augment their decision-making capabilities, especially during challenging operating conditions. Specific areas of interest encompass root cause analyses of electricity market datasets and the strategic selection of representative samples from vast power system databases for training ML/AI models. Finally, the chapter will conclude with a short discussion on the future of ML/AI in power systems and possible directions that the industry is moving towards.
power system applications, machine learning (ML), ↗
[Office of Basic Energy Sciences (BES)] Roundtable on Producing and Managing Large Scientific Data with Artificial Intelligence and Machine Learning
To identify specific Priority Research Opportunities (PROs) for artificial intelligence and machine learning (AI/ML) at the US Department of Energy’s scientific user facilities, the Office of Basic Energy Sciences (BES) convened a roundtable of facility experts encompassing the fields of physics, chemistry, materials synthesis science, computational science, detector and accelerator technology, theory, modeling, simulation, and atomic-scale characterization techniques. The roundtable met on October 22–23, 2019, to identify coordinated, long-term AI/ML research efforts that will drive major advances in neutron, photon, and nanoscale sciences. This report describes the four PROs identified at the roundtable: PRO 1 on how AI/ML can extract high-value information from the large datasets; PRO 2 on how AI/ML can use such information in real time to maximize the facilities’ scientific output; PRO 3 on using AI/ML virtual laboratories (i.e., computational models of experimental facilities) to aid the facilities and user community in design and control of machine parameters and the design and execution of experiments, including training AI/ML models for PROs 1 and 2; and PRO 4 on how a shared scientific data infrastructure can provide tools to assemble and analyze the totality of data coming from user facilities. A section of the end of the report provides a summary on computer science and mathematics that highlights where enhanced AI/ML capabilities could be particularly impactful for BES user facilities.
96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
Artificial Intelligence and Machine Learning Support for Probabilistic Fracture Mechanics
In this research, artificial intelligence and machine learning (ML) methods are used to search an uncertain parameter space more efficiently for the most important inputs with respect to response sensitivities. These methods are applied to the Extremely Low Probability of Rupture (xLPR) probabilistic fracture mechanics code used at the U.S. Nuclear Regulatory Commission (NRC) in support of nuclear regulatory research. This report documents two separate but related sub-tasks: (1) ranking important uncertain input features with respect to target outputs, determined by convergence in confidence intervals for increasing sample sizes using simple random sampling; and (2) implementation of a reduced-order surrogate model for fast, approximate sample generation. Unoptimized readily available off-the-shelf ML models were used in both sub-tasks.
97 MATHEMATICS AND COMPUTING↗
How Artificial Intelligence and Machine Learning Transform the Human Condition
Our July 2021 symposium, “How Artificial Intelligence and Machine Learning Transform the Human Condition,” was hosted through a partnership between Los Alamos National Laboratory and the National Academies of Sciences, Engineering, and Medicine’s Committee on Science, Technology, and Law. The symposium is part of a broader initiative focusing on harnessing transformative technologies, and builds on our September 2020 symposium titled, “COVID-19: Harnessing a Transformational Pandemic.” Topics such as systems biology and artificial intelligence not only represent compelling research frontiers but also highlight national security challenges with social, ethical, and legal implications.
60 APPLIED LIFE SCIENCES↗
Transforming Energy Through Computational Excellence: Artificial Intelligence and Machine Learning
The National Renewable Energy Laboratory's (NREL's) expertise accelerates a decarbonized energy economy through the most advanced computational techniques, including artificial intelligence (AI) and Machine Learning (ML). AI is the simulation of human intelligence processes by machines, while ML encompasses the study of computer algorithms to imitate the way humans learn.
97 MATHEMATICS AND COMPUTING↗
Artificial Intelligence and Machine Learning for Bioenergy Research: Opportunities and Challenges
The integration of artificial intelligence and machine learning (AI/ML) with automated experimentation, genomics, biosystems design, and bioprocessing technologies is poised to revolutionize scientific investigation and, particularly, bioenergy research. To identify the opportunities and challenges in this emerging research area, the U.S. Department of Energy’s (DOE) Biological and Environmental Research program (BER) and Bioenergy Technologies Office (BETO) held a joint virtual workshop on AI/ML for Bioenergy Research (AMBER) on August 23–25, 2022. These interests have since been amplified in a September 2022 Executive Order, “Advancing Biotechnology and Biomanufacturing Innovation for a Sustainable, Safe, and Secure U.S. Bioeconomy,” to promote a whole-of government approach to biotechnology development (White House 2022). Approximately 50 scientists with various backgrounds and expertise from academia, industry, and DOE national laboratories met to discuss the opportunities and challenges of AI/ML for bioenergy research. Workshop participants were tasked with assessing the potential for AI/ML and laboratory automation to advance biological understanding and engineering in general. They particularly examined how integrating AI/ML tools with laboratory automation could accelerate biosystems design and optimize biomanufacturing. Discussions included the data and computational infrastructure needed to augment biosystems design applications and the expertise and workforce development efforts urgently required to shift integrated systems toward bioenergy research more broadly. Participants discussed many existing and future applications of AI/ML for biosystems design ranging from enzymes to plants and microbes, microbiomes, and bioprocess development. They also identified three key categories of scientific and technical opportunities and challenges: high-quality data, AI/ML algorithms, and laboratory automation. Several main takeaways emerged from the workshop: 1. Numerous AI/ML and automated experimentation applications exist for a variety of DOE mission needs in energy and the environment; 2. Exemplary research grand challenges for which AI/ML could provide solutions include: building microbes and microbial communities to specifications, developing closed-loop autonomous design and control for biosystems design, and advancing scale-up and automation; 3. Lack of sufficient high-quality, annotated data hinders the development of AI/ML applications; 4. New and improved AI/ML tools are needed, particularly those meeting the specific needs of the BER and BETO research communities; 5. Trade-offs in performance, cost, and reliability exist between deploying commercially available versus building custom-developed instrumentation and software for automated or autonomous experimentation; translation of manual to automated or autonomous methods is often a nontrivial endeavor; 6. Training a new generation of young scientists who can develop and apply AI/ML tools is needed to solve long-standing scientific challenges in bioenergy research. The integration of AI/ML tools and automated experimentation represents a new data-driven research paradigm complementary to the traditional hypothesis-driven research paradigm. This paradigm accelerates design and optimization of biological systems and processes for a variety of DOE mission needs in energy and the environment. The AMBER workshop broadly explored the potential of this new paradigm for bioenergy research, of particular interest to BER and BETO, and identified key challenges and opportunities that DOE can address in the coming years by leveraging its unique capabilities and resources.
59 BASIC BIOLOGICAL SCIENCES↗
Application of Machine Learning and Artificial Intelligence in Proxy Modeling for Fluid Flow in Porous Media
Reservoir simulation models are the major tools for studying fluid flow behavior in hydrocarbon reservoirs. These models are constructed based on geological models, which are developed by integrating data from geology, geophysics, and petro-physics. As the complexity of a reservoir simulation model increases, so does the computation time. Therefore, to perform any comprehensive study which involves thousands of simulation runs, a very long period of time is required. Several efforts have been made to develop proxy models that can be used as a substitute for complex reservoir simulation models. These proxy models aim at generating the outputs of the numerical fluid flow models in a very short period of time. This research is focused on developing a proxy fluid flow model using artificial intelligence and machine learning techniques. In this work, the proxy model is developed for a real case CO2 sequestration project in which the objective is to evaluate the dynamic reservoir parameters (pressure, saturation, and CO2 mole fraction) under various CO2 injection scenarios. The data-driven model that is developed is able to generate pressure, saturation, and CO2 mole fraction throughout the reservoir with significantly less computational effort and considerably shorter period of time compared to the numerical reservoir simulation model.
Amini, Shohreh↗
Application of machine learning and artificial intelligence to extend EFIT equilibrium reconstruction
Recent progress in the application of machine learning (ML)/artificial intelligence (AI) algorithms to improve the Equilibrium Fitting (EFIT) code equilibrium reconstruction for fusion data analysis applications is presented. A device-independent portable core equilibrium solver capable of computing or reconstructing equilibrium for different tokamaks has been created to facilitate adaptation of ML/AI algorithms. A large EFIT database comprising of DIII-D magnetic, motional Stark effect, and kinetic reconstruction data has been generated for developments of EFIT model-order-reduction (MOR) surrogate models to reconstruct approximate equilibrium solutions. Furthermore, a neural-network MOR surrogate model has been successfully trained and tested using the magnetically reconstructed datasets with encouraging results. Other progress includes developments of a Gaussian process Bayesian framework that can adapt its many hyperparameters to improve processing of experimental input data and a 3D perturbed equilibrium database from toroidal full magnetohydrodynamic linear response modeling using the Magnetohydrodynamic Resistive Spectrum - Feedback (MARS-F) code for developments of 3D-MOR surrogate models.
Gaussian process↗
Outlook for artificial intelligence and machine learning at the NSLS-II
Abstract We describe the current and future plans for using artificial intelligence and machine learning (AI/ML) methods at the National Synchrotron Light Source II (NSLS-II), a scientific user facility at the Brookhaven National Laboratory. We discuss the opportunity for using the AI/ML tools and techniques developed in the data and computational science areas to greatly improve the scientific output of large scale experimental user facilities. We describe our current and future plans in areas including from detecting and recovering from faults, optimizing the source and instrument configurations, streamlining the pipeline from measurement to insight, through data acquisition, processing, analysis. The overall strategy and direction of the NSLS-II facility in relation to AI/ML is presented.
97 MATHEMATICS AND COMPUTING↗
Machine Learning and Artificial Intelligence for Energy Solutions
This presentation, part of the JISEA 10th Annual (Virtual) Meeting, was part of the panel discussion on machine learning and artificial intelligence for energy solutions.
artificial intelligence↗
On the compatibility of established methods with emerging artificial intelligence and machine learning methods for disaster risk analysis
Abstract There is growing interest in leveraging advanced analytics, including artificial intelligence (AI) and machine learning (ML), for disaster risk analysis (RA) applications. These emerging methods offer unprecedented abilities to assess risk in settings where threats can emerge and transform quickly by relying on “learning” through datasets. There is a need to understand these emerging methods in comparison to the more established set of risk assessment methods commonly used in practice. These existing methods are generally accepted by the risk community and are grounded in use across various risk application areas. The next frontier in RA with emerging methods is to develop insights for evaluating the compatibility of those risk methods with more recent advancements in AI/ML, particularly with consideration of usefulness, trust, explainability, and other factors. This article leverages inputs from RA and AI experts to investigate the compatibility of various risk assessment methods, including both established methods and an example of a commonly used AI‐based method for disaster RA applications. This article utilizes empirical evidence from expert perspectives to support key insights on those methods and the compatibility of those methods. This article will be of interest to researchers and practitioners in risk‐analytics disciplines who leverage AI/ML methods.
Mathematical Methods In Social Sciences↗
A Compendium for Artificial Intelligence and Machine Learning for Satellite Collision Avoidance at NASA Conjunction Assessment Risk Analysis (CARA)
Explore the source record for details and available documents.
Collision Avoidance↗
Exploring Advanced Computational Tools and Techniques with Artificial Intelligence and Machine Learning in Operating Nuclear Plants
This report presents the project Idaho National Laboratory conducted for Nuclear Regulatory Commission to explore the advanced computational tools and techniques, such as artificial intelligence (AI) and machine learning (ML), for operating nuclear plants. The report reviews the nuclear data sources, with the focus on the operating experience data, that could be applied by advanced computational tools and techniques. Plant-specific and generic (national and international) data from different sources are described. The report describes the relationships between statistics and AI/ML and then introduces the most widely used AI/ML algorithms in both supervised and unsupervised learning. The report reviews the recent applications of advanced computational tools and techniques in various fields of nuclear industry, such as reactor system design and analysis, plant operation and maintenance, and nuclear safety and risk analysis. Finally, the report presents the insights from the project on the potential applicability of AI/ML techniques in improving advanced computational capabilities, how the advanced tools and techniques could contribute to the understanding of safety and risk, and what information would be needed to provide meaningful insights to decision makers. The report also documents an NRC survey on the current state of commercial nuclear power operations relative to the use of AI and ML tools as well as the role of AI/ML tools in nuclear power operations was published by the NRC as in FRN NRC-2021-0048 in April 2021. A summary of the survey including the survey questions, survey participants, survey responses, and the conclusions and insights derived from the survey is provided in the report. Finally, the report investigates potential applications of using AI/ML in operating NPPs and advanced reactors (both advanced LWRs and advanced NLWRs) to improve nuclear plant safety and efficiency. Three main application fields are defined and discussed: (1) plant safety and security assessments; (2) plant degradation modeling, fault and accident diagnosis and prognosis; and (3) plant operation and maintenance efficiency improvement.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗