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At least 613 records · Page 34

Artificial Intelligence (AI) Methods for Augmenting the IMPACT Tool Evidence Library

Development of the Evidence Library for use with the IMPACT probability risk assessment tool took several years and involved a staggering amount of effort from a multi-disciplinary team. A very significant amount of the labor effort to collect, assess and finalize the Clinical Finding Form (CliFF) for each of the 119 medical conditions was provided by physician subject matter experts from the Exploration Medical Capability (ExMC) Element Clinical and Science Team. Many AI tools such as ChatGPT are excellent at summarizing large amounts of information and the current project was initiated to determine how such tools might streamline laborious processes, e.g., review and summarization of many scientific research publications, to execute key steps more efficiently in the process of developing CliFFs. The process for collecting the evidence which is found in the CliFFs is well documented in the Evidence Library Methods document (ELM; HRP-48036*). Using ELM and the CliFF development instructions as a guideline, a team of developers is leveraging Microsoft Azure AI tools and services along with open-source frameworks, to construct an AI-assisted automated pipeline. This pipeline is designed to search, retrieve, and process the necessary data sources, and ultimately help generate the final version of a CliFF. Currently, the large language model evaluates the relevance of each source material to spaceflights, either as direct evidence or as an analog. Additionally, the model assists in extracting keywords and generating brief summaries to enhance augmented retrieval and search processes in later stages of CliFF development. Once the data is ready, the model can perform semantic search and retrieval, generating and extracting valuable information for the CliFF. For instance, it can handle epidemiological statistical data, such as incidence rates and the likelihood of best or worst-case scenarios. The steps that required reading and summarizing articles were viewed as providing the greatest return on investment since large language models are very efficient and accurate in summarizing large amounts of text. Since labor effort to complete the original CliFF was not recorded with sufficient granularity, comparisons with an AI tool-generated CliFF will provide merely an approximation of time saved. Upon completion of the process, the CliFF for the medical condition “appendicitis” generated with the support of AI-based methods will serve as a proof-of-concept and will be compared to the original appendicitis CliFF to determine if use of the tools resulted in content and conclusory similarity. Based upon the results from face validation of the two CliFFs, modifications to the process will be made if necessary and additional condition CliFFs will be evaluated. Ultimately, CliFFs for the entire set of medical conditions will be created with the assistance of AI tools. Depending on the cost savings realized, CliFFs for additional medical conditions can be created to expand the Evidence Library. Future direction includes specifying the characteristics of the reviewer (prompting the AI tools to generate output assuming the reviewer is a sub-specialist physician, or nurse or EMT/medic) to determine if the effects on AI-generated output are different based on knowledge, skills and abilities. *Exploration Medical Capability Evidence Library Methods, HRP-48036 Rev A, July 2022.

Ali Al↗

Roundtable Report: Terahertz and 6G Wireless Communications in Science and Extreme Environments

The main objective of the roundtable is to bring together computer scientists and wireless communications experts from industry, academia, and government to explore the electromagnetic spectrum in the Terahertz (THz) bands for ultra-high-speed short-distance wireless communications in extreme environments. This new generation of THz wireless communications is the key to future machine-to-machine communications critical for the mass deployment of an intelligent Internet of Things (IoT). The roundtable discussion explores THz and 6G wireless technologies along with Visible Light Communications (VLC), intelligent reflection surfaces, free-space quantum and optical communications, and nano communications. The roundtable considers the suitability of these technologies for extreme environments from the nanoscale to the mesoscale for the following: scientific facilities and associated instruments, as well as industry, and manufacturing. Such use cases are not traditionally the primary customer of commercial wireless networks which are focused on personal broadband voice and data communications. Finally, the discussion identifies high-level opportunities and challenges for leveraging THz and 6G wireless communications and related Artificial Intelligence (AI) that can catalyze the advancement of the development of hyperconnected smart scientific instruments and facilities.

97 MATHEMATICS AND COMPUTING↗

Emerging materials intelligence ecosystems propelled by machine learning

We report that the age of cognitive computing and artificial intelligence (AI) is just dawning. Inspired by its successes and promises, several AI ecosystems are blossoming, many of them within the domain of materials science and engineering. These materials intelligence ecosystems are being shaped by several independent developments. Machine learning (ML) algorithms and extant materials data are utilized to create surrogate models of materials properties and performance predictions. Materials data repositories, which fuel such surrogate model development, are mushrooming. Automated data and knowledge capture from the literature (to populate data repositories) using natural language processing approaches is being explored. The design of materials that meet target property requirements and of synthesis steps to create target materials appear to be within reach, either by closed-loop active-learning strategies or by inverting the prediction pipeline using advanced generative algorithms. AI and ML concepts are also transforming the computational and physical laboratory infrastructural landscapes used to create materials data in the first place. Surrogate models that can outstrip physics-based simulations (on which they are trained) by several orders of magnitude in speed while preserving accuracy are being actively developed. Automation, autonomy and guided high-throughput techniques are imparting enormous efficiencies and eliminating redundancies in materials synthesis and characterization. The integration of the various parts of the burgeoning ML landscape may lead to materials-savvy digital assistants and to a human-machine partnership that could enable dramatic efficiencies, accelerated discoveries and increased productivity. Here, we review these emergent materials intelligence ecosystems and discuss the imminent challenges and opportunities. The materials research landscape is being transformed by the infusion of approaches based on machine learning. This Review discusses the emerging materials intelligence ecosystems and the potential of human-machine partnerships for fast and efficient virtual materials screening, development and discovery.

36 MATERIALS SCIENCE↗

Integrating AI Data Centers with the Power Grid

The rapid expansion of artificial intelligence (AI) has triggered an unprecedented surge in electricity demand, with US data center energy use projected to double or triple 2023 levels by 2028. This exponential growth places strain on grid infrastructure, which can hinder timely construction of desired computing capacity. To bridge this supply-demand gap, utilities and AI developers are increasingly turning to demand flexibility, a strategy that incentivizes shifting or reducing power use during peak periods of grid stress. Data centers are uniquely equipped for flexible operations due to their digital workloads, built-in redundancy, and onsite energy assets. This article outlines four primary mechanisms to enable data center flexibility: computational load flexibility (shifting tasks temporally or geographically), flexible use of core facility infrastructure adjustments, energy storage utilization, and onsite electricity generation. To encourage adoption, utilities are deploying new tariff designs, including voluntary interruptible service riders, mandated flexibility requirements, and streamlined interconnection processes for flexible loads. For the highly capitalized and rapidly growing AI industry, the primary motivators for embracing these strategies are expediting facility interconnection, satisfying emerging regulatory mandates, and mitigating community resistance. While demand flexibility cannot substitute the long-term need for new bulk power generation, it serves as an essential, immediate solution for enabling near-term deployment. By transforming data centers from grid stressors into stabilizing assets, flexible operations can ensure reliable grid integration, ease market pressures, and support a resilient power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Anatomy of Continuous Mars SEIS and Pressure Data from Unsupervised Learning

The seismic noise recorded by the Interior Exploration using Seismic Investigations, Geodesy, and Heat Transport (InSight) seismometer (Seismic Experiment for Interior Structure [SEIS]) has a strong daily quasi-periodicity and numerous transient microevents, associated mostly with an active Martian environment with wind bursts, pressure drops, in addition to thermally induced lander and instrument cracks. That noise is far from the Earth’s microseismic noise. Quantifying the importance of nonstochasticity and identifying these microevents is mandatory for improving continuous data quality and noise analysis techniques, including autocorrelation. Cataloging these events has so far been made with specific algorithms and operator’s visual inspection. We investigate here the continuous data with an unsupervised deep-learning approach built on a deep scattering network. This leads to the successful detection and clustering of these microevents as well as better determination of daily cycles associated with changes in the intensity and color of the background noise. We first provide a description of our approach, and then present the learned clusters followed by a study of their origin and associated physical phenomena. We show that the clustering is robust over several Martian days, showing distinct types of glitches that repeat at a rate of several tens per sol with stable time differences. We show that the clustering and detection efficiency for pressure drops and glitches is comparable to or better than manual or targeted detection techniques proposed to date, noticeably with an unsupervised approach. Finally, here we discuss the origin of other clusters found, especially glitch sequences with stable time offsets that might generate artifacts in autocorrelation analyses. We conclude with presenting the potential of unsupervised learning for long-term space mission operations, in particular, for geophysical and environmental observatories.

58 GEOSCIENCES↗

AI-assisted discovery of high-temperature dielectrics for energy storage

Abstract Electrostatic capacitors play a crucial role as energy storage devices in modern electrical systems. Energy density, the figure of merit for electrostatic capacitors, is primarily determined by the choice of dielectric material. Most industry-grade polymer dielectrics are flexible polyolefins or rigid aromatics, possessing high energy density or high thermal stability, but not both. Here, we employ artificial intelligence (AI), established polymer chemistry, and molecular engineering to discover a suite of dielectrics in the polynorbornene and polyimide families. Many of the discovered dielectrics exhibit high thermal stability and high energy density over a broad temperature range. One such dielectric displays an energy density of 8.3 J cc −1 at 200 °C, a value 11 × that of any commercially available polymer dielectric at this temperature. We also evaluate pathways to further enhance the polynorbornene and polyimide families, enabling these capacitors to perform well in demanding applications (e.g., aerospace) while being environmentally sustainable. These findings expand the potential applications of electrostatic capacitors within the 85–200 °C temperature range, at which there is presently no good commercial solution. More broadly, this research demonstrates the impact of AI on chemical structure generation and property prediction, highlighting the potential for materials design advancement beyond electrostatic capacitors.

25 ENERGY STORAGE↗

Design of quantum optical experiments with logic artificial intelligence

Logic Artificial Intelligence (AI) is a subfield of AI where variables can take two defined arguments, True or False, and are arranged in clauses that follow the rules of formal logic. Several problems that span from physical systems to mathematical conjectures can be encoded into these clauses and solved by checking their satisfiability (SAT). In contrast to machine learning approaches where the results can be approximations or local minima, Logic AI delivers formal and mathematically exact solutions to those problems. In this work, we propose the use of logic AI for the design of optical quantum experiments. We show how to map into a SAT problem the experimental preparation of an arbitrary quantum state and propose a logic-based algorithm, called Klaus, to find an interpretable representation of the photonic setup that generates it. We compare the performance of Klaus with the state-of-the-art algorithm for this purpose based on continuous optimization. We also combine both logic and numeric strategies to find that the use of logic AI significantly improves the resolution of this problem, paving the path to developing more formal-based approaches in the context of quantum physics experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

RAG for FLAG: AI Assistance for a Physics Code

Artificial intelligence (AI) has quickly become an important tool in scientific research, where significant efforts are underway to develop tools that will expedite the research process. One area of particular impact is scientific software, which can be particularly complex, and therefore time consuming to learn and use effectively. AI assistants are increasingly helping to streamline the process by performing tasks such as interactively answering user questions or suggesting solutions. Los Alamos National Laboratory (LANL) develops several advanced scientific codes, such as FLAG, which can be used to run multiphysics simulations. With this study, our goal was to develop an AI assistant for FLAG that could help make the process of understanding the software and running physics simulations more efficient. To develop an AI assistant for FLAG, we used a method called retrieval-augmented generation (RAG), which is a technique that uses information from relevant data sources to enhance the accuracy of large language models (LLMs). We used the FLAG user manual and other FLAG documentation as the knowledge base for the RAG system. When a user provides a query, RAG retrieves relevant sections from the knowledge base in response, then uses those excerpts to generate grounded and contextually rich answers. We found that our AI assistant was able to provide context aware answers and source references to user queries. To evaluate performance, we developed a set of 40 benchmark questions and compared the accuracy of the responses to those of two standard LLMs without retrieval. Our AI assistant significantly outperformed the standard LLMs at answering FLAG-related questions, with an 82.5% accuracy rate, compared to 47.5% for both of the standard LLMs. This has the potential to make the process of learning and using FLAG much easier, especially for new users. Ultimately, it supports LANL’s broader mission by empowering scientists and engineers to focus more on discovery and analysis rather than on navigating complex software systems.

97 MATHEMATICS AND COMPUTING↗

NeuroSymbolic Approaches as a Vector for Assured Artificial Intelligence

The deployment of artificial intelligence systems in critical applications requires higher levels of assurance for safety, security, and interpretability. While neurosymbolic (NESY) approaches combining neural networks with symbolic reasoning offer potential advantages for assured AI, existing differentiable neurosymbolic frameworks face significant limitations including computational overhead and performance constraints. This report investigates the ISED (InferSampleEstimateDescend) framework as an alternative approach that enables neurosymbolic learning without requiring endtoend differentiability. We evaluate ISED’s utility for geointelligence applications by comparing neurosymbolic models against standard neural networks on aircraft classification tasks using the RarePlanes and MTARSI imagery datasets. Our results demonstrate that while ISEDbased models achieve slightly lower accuracy (89.7% vs 92.1% on RarePlanes; 91.1% vs 92.5% on MTARSI), they provide critical explainability capabilities that enable tracing incorrect predictions back to specific attribute misclassifications. We also present an automated pipeline that generates both attributeclass mappings and neurosymbolic model architectures from natural language descriptions, significantly reducing the manual effort required for NESY model deployment. These findings suggest that ISED offers a promising direction for developing assured AI systems where interpretability and reasoning transparency are prioritized alongside performance.

97 MATHEMATICS AND COMPUTING↗

ASAP: Automatic Synthesis of Area-Efficient and Precision-Aware CGRAs

Coarse-grained reconfigurable accelerators (CGRAs) are a promising accelerator design choice that strikes a balance between performance and adaptability to different computing patterns across various applications domains. Designing a CGRA for a specific application domain involves enormous software/hardware engineering effort. Recent research works explore loop transformations, functional unit types, network topology, and memory size to identify optimal CGRA designs given a set of kernels from a specific application do- main. Unfortunately, the impact of functional units with different precision support has rarely been investigated. To address this gap, we propose ASAP – a hardware/software co-design framework that automatically identifies and synthesizes optimal precision-aware CGRA for a set of applications of interest. Our evaluation shows that ASAP generates specialized designs 3.2×, 4.21×, and 5.8× more efficient (in terms of performance per unit of energy or area) than non-specialized homogeneous CGRAs, for the scientific computing, embedded, and edge machine learning domains, respectively, with limited accuracy loss. Moreover, ASAP provides more efficient designs than other state-of-the-art synthesis frameworks for specialized CGRAs.

artificial intelligence↗

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.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quantum-Based Molecular Dynamics Simulations Using Tensor Cores

Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligence applications. Tensor cores provide extraordinary computational speed and energy efficiency but with the caveat that they were designed for tensor contractions (matrix–matrix multiplications) using only low-precision floating-point operations. Despite this perceived limitation, we demonstrate how tensor cores can be applied with high efficiency to the challenging and numerically sensitive problem of quantum-based Born–Oppenheimer molecular dynamics, which requires highly accurate electronic structure optimizations and conservative force evaluations. The interatomic forces are calculated on-the-fly from an electronic structure that is obtained from a generalized deep neural network, where the computational structure naturally takes advantage of the exceptional processing power of the tensor cores and allows for high performance in excess of 100 Tflops on a single Nvidia A100 GPU. Stable molecular dynamics trajectories are generated using the framework of extended Lagrangian Born–Oppenheimer molecular dynamics, which combines computational efficiency with long-term stability, even when using approximate charge relaxations and force evaluations that are limited in accuracy by the numerically noisy conditions caused by the low-precision tensor core floating-point operations. A canonical ensemble simulation scheme is also presented, where the additional numerical noise in the calculated forces is absorbed into a Langevin-like dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of a knowledge acquisition tool for an expert system flight status monitor

Two of the main issues in artificial intelligence today are knowledge acquisition dion and knowledge representation. The Dryden Flight Research Facility of NASA's Ames Research Center is presently involved in the design and implementation of an expert system flight status monitor that will provide expertise and knowledge to aid the flight systems engineer in monitoring today's advanced high-performance aircraft. The flight status monitor can be divided into two sections: the expert system itself and the knowledge acquisition tool. The knowledge acquisition tool, the means it uses to extract knowledge from the domain expert, and how that knowledge is represented for computer use is discussed. An actual aircraft system has been codified by this tool with great success. Future real-time use of the expert system has been facilitated by using the knowledge acquisition tool to easily generate a logically consistent and complete knowledge base.

Disbrow, J. D.↗

Development of a knowledge acquisition tool for an expert system flight status monitor

Two of the main issues in artificial intelligence today are knowledge acquisition and knowledge representation. The Dryden Flight Research Facility of NASA's Ames Research Center is presently involved in the design and implementation of an expert system flight status monitor that will provide expertise and knowledge to aid the flight systems engineer in monitoring today's advanced high-performance aircraft. The flight status monitor can be divided into two sections: the expert system itself and the knowledge acquisition tool. This paper discusses the knowledge acquisition tool, the means it uses to extract knowledge from the domain expert, and how that knowledge is represented for computer use. An actual aircraft system has been codified by this tool with great success. Future real-time use of the expert system has been facilitated by using the knowledge acquisition tool to easily generate a logically consistent and complete knowledge base.

Disbrow, J. D.↗

Translating expert system rules into Ada code with validation and verification

The purpose of this ongoing research and development program is to develop software tools which enable the rapid development, upgrading, and maintenance of embedded real-time artificial intelligence systems. The goals of this phase of the research were to investigate the feasibility of developing software tools which automatically translate expert system rules into Ada code and develop methods for performing validation and verification testing of the resultant expert system. A prototype system was demonstrated which automatically translated rules from an Air Force expert system was demonstrated which detected errors in the execution of the resultant system. The method and prototype tools for converting AI representations into Ada code by converting the rules into Ada code modules and then linking them with an Activation Framework based run-time environment to form an executable load module are discussed. This method is based upon the use of Evidence Flow Graphs which are a data flow representation for intelligent systems. The development of prototype test generation and evaluation software which was used to test the resultant code is discussed. This testing was performed automatically using Monte-Carlo techniques based upon a constraint based description of the required performance for the system.

Becker, Lee↗

Using Machine Learning to Generate a GISS ModelE Calibrated Physics Ensemble (CPE)

A neural network (NN) surrogate of the NASA GISS ModelE atmosphere (version E3) is trained on a perturbed parameter ensemble (PPE) spanning 45 physics parameters and 36 outputs. The NN is leveraged in a Markov Chain Monte Carlo (MCMC) Bayesian parameter inference framework to generate a second posterior constrained ensemble coined a “calibrated physics ensemble,” or CPE. The CPE members are characterized by diverse parameter combinations and are, by definition, close to top-of-atmosphere radiative balance, and must broadly agree with numerous hydrologic, energy cycle and radiative forcing metrics simultaneously. Global observations of numerous cloud, environment, and radiation properties (provided by global satellite products) are crucial for CPE generation. The inference framework explicitly accounts for discrepancies (or biases) in satellite products during CPE generation. We demonstrate that product discrepancies strongly impact calibration of important model parameter settings (e.g., convective plume entrainment rates; fall speed for cloud ice). Structural improvements new to E3 are retained across CPE members (e.g., stratocumulus simulation). Notably, the framework improved the simulation of shallow cumulus and Amazon rainfall while not degrading radiation fields, an upgrade that neither default parameters nor Latin Hypercube parameter searching achieved. Analyses of the initial PPE suggested several parameters were unimportant for output variation. However, many “unimportant” parameters were needed for CPE generation, a result that brings to the forefront how parameter importance should be determined in PPEs. From the CPE, two diverse 45-dimensional parameter configurations are retained to generate radiatively-balanced, auto-tuned atmospheres that were used in two E3 submissions to CMIP6.

54 ENVIRONMENTAL SCIENCES↗

Knowledge Based Systems: A Critical Survey of Major Concepts, Issues, and Techniques

This Working Paper Series entry presents a detailed survey of knowledge based systems. After being in a relatively dormant state for many years, only recently is Artificial Intelligence (AI) - that branch of computer science that attempts to have machines emulate intelligent behavior - accomplishing practical results. Most of these results can be attributed to the design and use of Knowledge-Based Systems, KBSs (or ecpert systems) - problem solving computer programs that can reach a level of performance comparable to that of a human expert in some specialized problem domain. These systems can act as a consultant for various requirements like medical diagnosis, military threat analysis, project risk assessment, etc. These systems possess knowledge to enable them to make intelligent desisions. They are, however, not meant to replace the human specialists in any particular domain. A critical survey of recent work in interactive KBSs is reported. A case study (MYCIN) of a KBS, a list of existing KBSs, and an introduction to the Japanese Fifth Generation Computer Project are provided as appendices. Finally, an extensive set of KBS-related references is provided at the end of the report.

Dominick, Wayne D.↗

Machine learning-enabled computer vision for plant phenotyping: a primer on AI/ML and a case study on stomatal patterning

Abstract Artificial intelligence and machine learning (AI/ML) can be used to automatically analyze large image datasets. One valuable application of this approach is estimation of plant trait data contained within images. Here we review 39 papers that describe the development and/or application of such models for estimation of stomatal traits from epidermal micrographs. In doing so, we hope to provide plant biologists with a foundational understanding of AI/ML and summarize the current capabilities and limitations of published tools. While most models show human-level performance for stomatal density (SD) quantification at superhuman speed, they are often likely to be limited in how broadly they can be applied across phenotypic diversity associated with genetic, environmental, or developmental variation. Other models can make predictions across greater phenotypic diversity and/or additional stomatal/epidermal traits, but require significantly greater time investment to generate ground-truth data. We discuss the challenges and opportunities presented by AI/ML-enabled computer vision analysis, and make recommendations for future work to advance accelerated stomatal phenotyping.

Plant Sciences↗