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NASA NTRS2018

Introduction to NASA Goddard Workshop on Artificial Intelligence

Artificial Intelligence (AI) is a collection of advanced technologies that allows machines to think and act, both humanly and rationally, through sensing, comprehending, acting and learning. AI's foundations lie at the intersection of several traditional fields Philosophy, Mathematics, Economics, Neuroscience, Psychology and Computer Science. Although the inception of AI started in the 1950's, it has recently made a strong comeback in all aspects of society and all over the world; this is mainly due to the timely combination of increased data volumes, advanced and mature algorithms, and improvements in computing power and storage. Current AI applications include big data analytics, robotics, intelligent sensing, assisted decision making, and speech recognition just to name a few.This workshop will be investigating how AI technologies can be adapted or developed to address the following challenges: Discover events of interest and correlations in large amounts of science data; improve the outcomes of science modeling and data assimilation using improved data processing, integration, and analysis. Design advisors for mission planning and operations, including anomaly detection and spacecraft health monitoring. Develop tools for engineering support, including advanced manufacturing, orbit determination, new component design and system engineering. Customize intelligent user interfaces, including visual analytics and natural language processing.

Le Moigne, Jacqueline↗
NASA NTRS2019

Ask-The-Expert: Minimizing Human Review for Big Data Analytics Through Active Learning

In this CIF project, we worked toward semi-automating knowledge discovery from anomaly detection algorithms through the use of active learning. Active learning is an area of research within machine learning that uses an "expert in the loop" to learn from large data sets that have very few annotations or labels available, and where providing such labels is expensive. In our case, the task can be defined as the identification of safety events from flight operational data. Since traditional anomaly detection algorithms cannot differentiate between operationally relevant and irrelevant statistical anomalies, Subject Matter Experts (SMEs) have a lengthy and expensive burden of investigating every example identified by the detection algorithm, classifying and labeling them as relevant or irrelevant. Active learningidentifies the unlabeled example for which a label would most improve the classifier, asks the domain expert for a label, and repeats this process until there are no more resources (time, budget) available for labeling or a minimum required performance is reached. A positive label indicates an operationally significant safety event whereas a negative label indicates otherwise. Based on these few labels we propose to build an active learning system that utilizes the SME's time in the most effective manner by iteratively asking for labels for as few informative instances as possible. Our work was proposed to be a stepping stone toward implementation and deployment of the system with user interface to be pursued by the Aviation Operations and Safety Program (AOSP) given its interest in safety monitoring and discovery of safety incidents.

aviation safety↗
NASA NTRSDate not supplied

Kaona: Deep Searching and Curating Data from Aviation Safety Reporting Systems

Context: Several works in the literature have examined how safety narrative databases can be leveraged to share lessons learned. However, less attention has been given to augmenting existing processes for mining these safety reporting system databases. Aim: In this work, we introduce Kaona: An interface that weaves machine learning in existing aviation safety database mining activities. Method: We provide a use case of search, curation and newsletter writing to showcase how Kaona features build on existing processes and on its own to enhance information retrieval, curation and synthesis of narratives. Results: We created two instances of Kaona internally for evaluation, one using publicly available NASA’s ASRS narratives and another using publicly available C3RS narratives. Data ranged from 1998 to 2024. Conclusion: Our tool provides a new way to explore safety narratives, serving to re-imagine how text databases can benefit of novel information retrieval mechanisms in the era of large language models.

ASRS↗
NASA NTRSDate not supplied

Kaona: Deep Searching and Curating Aviation Safety Reporting Systems

Context: Several works in the literature have examined how safety narrative databases can be leveraged to share lessons learned. However, less attention has been given in augmenting existing processes of safety reporting systems. Aim: In this work, we introduce Kaona: An interface that weaves machine learning in existing aviation safety reporting systems activities. Method: We provide a use case of search, curation and newsletter writing to showcase how Kaona features build on existing processes and on its own to enhance information retrieval, curation and synthesis of narratives. Results: We created two instances of Kaona internally for evaluation, one using all public NASA's ASRS narratives and another using all public C3RS narratives. Data ranged from 1998 to 2024. Conclusion: Our tool provides a new way to explore safety narratives, serving to re-imagine how text databases can benefit of novel information retrieval mechanisms in the era of large language models.

asrs↗
NASA NTRSDate not supplied

RadLab: A Comprehensive Database and Graphical and Programming Interfaces for Biologically Relevant Space Radiation Data

RadLab, a new component of the NASA Open Science Data Repository (OSDR), is a platform built upon a database of radiation data relevant to space biology. RadLab provides visual and programmatic interfaces for interrogation of its database, as well as a submission process for inclusion of data from investigators. The RadLab application programming interface (API) implements a request syntax enabling users to retrieve data filtered by various combinations of parameters (detector type, location, direction, timespan, etc), which are delivered in machine-readable text formats, ready to be ingested by downstream analysis pipelines; while the graphical user interface (GUI) provides easy means to iteratively modify query parameters and incorporates a number of standard analyses and visualizations (time series plots, geospatial visualizations, detector comparison). Investigators from many countries, including US, Russia, Japan, Canada, the Czech Republic, Germany, Hungary, and Italy, have committed to provide data from their instruments located on the ISS; RadLab will also include data from other spacecraft in LEO (e.g., the Space Shuttle, the Mir space station), BLEO (e. g. BioSentinel, Mars Orbiter, among others), and on other celestial bodies (e. g. Chang’e 4, Curiosity). The first release of RadLab has been made available to the public. Once fully operational, RadLab will provide a comprehensive and ever-growing compendium of space radiation data, facilitating straightforward access to multiple types of readings and enabling space biology researchers to perform intercomparisons of detectors and to determine the radiation environment of research missions, both via programmatic retrieval of these data and via the graphical analysis toolkit; as well as a user-friendly submission portal for ingesting data from space agencies and research institutions. Radiation scientists will be able to use RadLab to gain a deeper understanding of the space radiation environment for future human space exploration. The RadLab Working Group has been formed to foster close collaborations among data contributors and users, to identify data sources, to put in place standards for data normalization, to guide the development of features of the analysis toolkit, to establish the use of RadLab in space radiation biology research, and eventually to provide a forum for discussing relevant research issues that can take advantage of RadLab's capabilities.

radiation↗
NASA NTRSDate not supplied

Using Open Standards and NASA Open Source Simulation Tools to Model Artemis Base Camp Mission Timelines

The United States’ National Aeronautics and Space Administration (NASA) has announced that the Artemis Program will return humans to the Moon, establishing a persistent presence with the Artemis Base Camp (ABC), and extend human exploration to Mars. The NASA Exploration Systems Simulations (NExSyS) team at NASA’s Johnson Space Center is using internationally developed simulation interoperability standards and NASA open source simulation tools to support Artemis concept, analysis, designs, development, training, and ultimately operations. The NExSyS team has been tasked to support early ABC architecture and mission analysis using mission time lines developed by the crew operations mission planning team. The NExSyS team is developing a distributed simulation framework with initial Artemis element implementations to model the ABC mission timelines using the international simulation interoperability standard High Level Architecture (HLA), the Simulation Interoperability Standards Organization’s Space Reference Federation Object Model (SpaceFOM), the NASA open source Trick Simulation Environment, and another NASA open source interface package called TrickHLA. The ABC architecture is composed of a number of key surface elements and resources. Some examples of modeled elements (also known as entities) are landers, habitats, rovers, logistics carriers, and astronauts. Some examples of modeled transferable and consumable resources are power, water, oxygen, nitrogen, scientific samples, and food. These entities and resources are modeled in a collection of individual simulations called Federates. A coordinated collection of interoperable federates is called a Federation and when these federates are tied together in a coordinated simulation run, it is referred to as a Federation Execution. The federates communicate through HLA using data exchange formats defined by a collection of machine readable files called Federation Object Models (FOMs). These FOM files are based on extensions to the SpaceFOM. This enables the instantiation and sharing of objects and interactions between federates in the federation. These provide for entity and resource tracking, object transfer, and data collection. Federate interactions are used to trigger events and notify federates of entity or resource transfers. For the initial implementation, the constituent federates are Trick-based simulations that use TrickHLA to provide the required HLA-base interoperability. These Trick-based simulations provide the required modeling for the individual Artemis elements along with the associated element resources. These federates provide a means to explore traverses between surface elements and exploration sites as scheduled in a mission timeline and explore the affects traverse times have on the overall mission timeline. The mission time lines are modeled using a Trick input file event handling capabilities. Each timeline operation is handled as individual simulation events, and triggered based on previous event status, time of operation, and simulated task completions. In addition, the ABC Federation can be used to perform Monte Carlo analysis. The Monte Carlo tool can vary the inputs, timings, and malfunctions to show how various contingencies in the mission can affect the mission timeline.

Keaton Craig Dodd↗
DOE OSTI2025

ReVise: A Human-AI Interface for Incremental Algorithmic Recourse

The recent adoption of artificial intelligence in socio-technical systems raises concerns about the black-box nature of the resulting decisions in fields such as hiring, finance, admissions, etc. If data subjects—such as job applicants, loan applicants, and students—receive an unfavorable outcome, they may be interested in algorithmic recourse, which involves updating certain features to yield a more favorable result when re-evaluated by algorithmic decision-making. Unfortunately, when individuals do not fully understand the incremental steps needed to change their circumstances, they risk following misguided paths that can lead to significant, long-term adverse consequences. Existing recourse approaches focus exclusively on the final recourse goal but neglect the possible incremental steps to reach the goal with real-life constraints, user preferences, and model artifacts. To address this gap, we formulate a visual analytic workflow for incremental recourse planning in collaboration with AI/ML experts and contribute an interactive visualization interface that helps data subjects efficiently navigate the recourse alternatives and make an informed decision. We also present one of the many usage scenarios, developed during exploratory feedback sessions with twelve graduate students using a real-world dataset, which demonstrates that our approach can be instrumental for data subjects in choosing a suitable recourse path.

algorithmic recourse↗
NASA NTRSDate not supplied

INCREASING THE TRANSPARENCY AND REPRODUCIBILITY OF SPACE RADIATION SCIENCE: THE RADIATION BIOLOGY ONTOLOGY

Among the primary objectives of the Open/Open-Source Science paradigm are making scientific investigation data transparent and results reproducible [1], objectives shared by the FAIR principles [2]. To accomplish this, the conceptual framework that includes all the investigation objects needs to be accurately captured and communicated to all data consumers. A large part of this requires using metadata standards to annotate data collected. These standards should be readily accessible, informed by scientific community consensus and sufficiently specific to encompass all of the important aspects of the investigation. Starting in 2020 we have been co-leading an open consortium to develop a new metadata standard, the Radiation Biology Ontology (RBO), through the Open Biological and Biomedical Ontologies (OBO) Foundry [3]. We began by transforming many of the terms from the National Council on Radiation Protection and Measurement into concepts that can be formally related to existing OBO Foundry classes or attributes. We then identified and imported into the RBO existing OBO Foundry classes that have obvious relevance for radiation biomedicine (for example, concepts from the Environment Ontology that describe radiative processes, and concepts from the Gene Ontology dealing with molecular and cellular responses to radiation). Finally, we scrutinized datasets from investigations of radiation effects held in NASA GeneLab and LSDA repositories and added additional classes, instances, and attributes into the RBO that should be used to annotate these data. We developed the RBO using the open-source tools of GitHub and publish the RBO periodically through the NIH/NCBI BioPortal website, so systems worldwide can leverage the knowledge it contains [4]. This initial phase of concept modeling has yielded an RBO that at present has more than 300 declared concepts, with more than 3500 additional concepts imported from other OBO Foundry ontologies. While this first phase has focused on concepts for annotating samples, environments, exposures, and measurements, the next phase will center on supporting annotation of results and findings, such as concept models of molecular, cellular and tissue effects. The value of the RBO will be determined in part by our ability to engage the community in its development, and we have established a Radiobiology Informatics Consortium with unrestricted membership as the owner of the RBO in order to encourage investigators, system owners and other to join in this effort. Anyone can report issues or request new concept modeling or other features directly on GitHub. By using the BioPortal application programming interface, systems can pose dynamic queries to the latest version of the RBO for information on individual classes or entire hierarchies; this design eliminates the need for systems to be updated in order to use newer versions of the RBO. We hope to contribute to the advancement of open radiobiological science through the continued, open development of the RBO, that will provide more precise, machine-interpretable descriptions of investigations, as well as support data meta-analysis through machine learning or other artificial intelligence methods. REFERENCES [1] Open science in space. Nature Medicine, 2021. 27(9): p. 1485-1485. [2] Wilkinson, M.D., et al., The FAIR Guiding Principles for scientific data management and stewardship. Sci Data, 2016. 3: p. 160018. [3] Smith, B., et al., The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration. Nat Biotechnol, 2007. 25(11): p. 1251-5. [4] Whetzel, P.L., et al., BioPortal: enhanced functionality via new Web services from the National Center for Biomedical Ontology to access and use ontologies in software applications. Nucleic Acids Res, 2011. 39(Web Server issue): p. W541-5.

informatics↗
DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗
NASA NTRSDate not supplied

SPHINX: An SEP Model Validation Infrastructure developed through Community Challenges and the SEP Scoreboards

Solar Energetic Particle (SEP) events are interesting from a scientific perspective as they are the product of a broad set of physical processes from the corona out through the extent of the heliosphere, and provide insight into processes of particle acceleration and transport that are widely applicable in astrophysics. From the operations perspective, SEP events pose a radiation hazard for aviation, electronics in space, and human space exploration, in particular for missions outside of the Earth’s protective magnetosphere including to the Moon and Mars (Whitman et al 2022). For these reasons, SEP modelers have developed a rich and diverse set of models with a wide variety of aims. Some models probe the basic physics at the heart of particle acceleration and transport. Others produce fast statistical forecasts or employ disruptive new techniques like Machine Learning with the goal to assist end users in making operational decisions. To enable a consistent and quantitative understanding of SEP model performance, a generalized, automated validation infrastructure, called SPHINX, is being developed at NASA SRAG in close collaboration with NASA CCMC, NASA M2M, NOAA SWPC, and BIRA-IASB. This infrastructure has been built up through a multi-year community challenge. Starting in 2018 at the SHINE workshop, an effort was launched through SHINE, ISWAT, and ESWW to encourage quantitative, comprehensive, and consistent validation of SEP models. This effort has defined a set of challenge SEP events with the aim of generating quantitative comparisons between forecasts and observations and a set of challenge “non-events” to assess false alarms. In 2023, these challenge lists have been extended to statistically significant numbers with a prescribed set of rules for producing forecasts and supported through the dedicated SEPVAL working meetings. The participation of the research community has allowed the infrastructure to validate all the types of outputs being produced by SEP models. In parallel, the SPHINX code is being applied to real time forecasts submitted to the SEP Scoreboards, ensuring that the validation infrastructure can interpret forecasts produced in an operational scenario and provide metrics meaningful for operations. Upon completion, SPHINX and its interactive user interface, SPHINX-Web, will be made available for public use.

space weather↗
NASA NTRS1991

Implementation issues for a compact 6 degree of freedom force reflecting handcontroller with cueing of modes

Teleoperated control requires a master human interface device that can provide haptic input and output which reflect the responses of a slave robotic system. The effort reported in this paper addresses the design and prototyping of a six degree-of-freedom (DOF) Cartesian coordinate hand controller for this purpose. The device design recommended is an XYZ stage attached to a three-roll wrist which positions a flight-type handgrip. Six degrees of freedom are transduced and control brushless DC motor servo electronics similar in design to those used in computer controlled robotic manipulators. This general approach supports scaled force, velocity, and position feedback to aid an operator in achieving telepresence. The generality of the device and control system characteristics allow the use of inverse dynamics robotic control methodology to project slave robot system forces and inertias to the operator (in scaled form) and at the same time to reduce the apparent inertia of the robotic handcontroller itself. The current control design, which is not multiple fault tolerant, can be extended to make flight control or space use possible. The proposed handcontroller will have advantages in space-based applications where an operator must control several robot arms in a simultaneous and coordinated fashion. It will also have applications in intravehicular activities (within the Space Station) such as microgravity experiments in metallurgy and biological experiments that require isolation from the astronauts' environment. For ground applications, the handcontroller will be useful in underwater activities where the generality of the proposed handcontroller becomes an asset for operation of many different manipulator types. Also applications will emerge in the Military, Construction, and Maintenance/Manufacturing areas including ordnance handling, mine removal, NBC (Nuclear, Chemical, Biological) operations, control of vehicles, and operating strength and agility enhanced machines. Future avionics applications including advanced helicopter and aircraft control may also become important.

Jacobus, Heidi↗
NASA NTRSDate not supplied

CLINICAL DECISION SUPPORT: PATH TO FUNCTIONAL REQUIREMENTS

Long-duration, deep-space exploration missions present significant challenges to crew health and performance. These challenges include the individual and combined effects of microgravity, radiation exposure, isolation, limited resources (mass, volume, power, data and crew time), limited options for evacuation and those associated with delayed or constrained communications, all of which demand greater crew autonomy. Specifically, as the communication delays intensify the further we explore space, the unqualified need for Earth-independent medical operations focused on autonomous diagnosis, treatment and prevention will be key to mission continuation and success. To augment the requisite knowledge, skills and abilities (KSAs) of a time-constrained crew operating under stressful conditions, combatting fatigue, and facing a potential medical crisis, a robust clinical decision support system (CDSS) is a probable solution that would facilitate, guide and inform Earth-independent medical operations, while assisting crewmembers through various clinical presentations. The Exploration Medical Capability (ExMC) Element of the Human Research Program (HRP) is expanding the boundaries of space medical systems to advance the care of astronauts on future exploration missions beyond low Earth orbit. ExMC is actively identifying and testing next-generation medical care and crew health maintenance technologies. The Clinical Decision Support (CDS) project addresses gap Medical-701 within the Inflight Medical Conditions risk: “Enhance medical capabilities within an exploration medical system.” Though mass, volume, and power will face increasing constraints, the projected computational capabilities of spacecraft systems will increase exponentially as information technology continues to advance this decade and beyond. Hence, data, software and computational resources will play an essential and synergistic role in maintaining crew health, wellness and performance in deep space missions. The focus of the CDS project is to develop recommended requirements for an in-vehicle CDSS that acts as a ‘virtual assistant’ for delivering optimal health, performance and medical care during exploration missions. The CDSS is envisioned as an integrated, software-based tool deployed on a laptop computer or handheld device. The CDSS will assist the crew and ground support when interacting with knowledge/databases (e.g. records, pharmacy, schedule), instrumentation (e.g. imaging, physiological monitoring devices), and habitat (e.g. wellness system, task performance system) and vehicle systems (e.g. environmental system, communication system). In addition, the human interface will employ a context-based approach that accounts for the crew’s situation. Thus, extraneous and clinically/operationally non-relevant information are reduced to avoid an increase in cognitive load. The framework of an ideal spaceflight CDSS is to include core and advanced analytical features that incorporate work from collaborators yet maintain a flexible platform for integrating new technology in the future. In fiscal year 2021 (FY21), the CDS project identified requirements through two primary mechanisms: (i) the development of software implementation prototypes and (ii) the application of systems engineering processes. The CDS project developed and tested a series of increasingly complex system prototypes that were based on use cases derived from the CDSS concept of operations (ConOps). These software implementations yielded insights on CDSS functionality as well as lessons learned that provided the initial requirements for CDSS capability. By applying a systems engineering (SE) approach, medical scenarios provided in the ConOps and the use cases for software implementation underwent functional decomposition to identify CDSS functionality. Also, systems-based modeling language (SysML) tools such as activity diagrams were developed from the same ConOps and use cases to identify CDSS functionality. The lessons learned from software implementation defined both specific requirements and broad areas of requirements. Within these defined broad requirement areas, further analysis of the SE products identified specific capability that resulted in the final functional requirements. In summary, the software prototypes, functional decomposition of the ConOps and use cases, and SysML diagrams provided the basis for the CDSS requirements developed in FY21. In the upcoming year, these requirements will be refined for their final ExMC baseline review in latter FY22.

clinical decision support↗