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Artemis Internal Science Team Update: Hardware and Integrated Testing

The Artemis program will reestablish human presence on the Moon and lead to a new era of scientific discovery and exploration. Led by the National Aeronautics and Space Administration (NASA), the Artemis program is a collaboration of space agencies and companies from around the world. In support of the Artemis program a cross disciplinary effort integrating science, engineering, operations, and human factors is currently being developed to identify methods, facilities, and field locations to test hardware, train astronauts, and evaluate concepts of operations. NASA’s Science Mission Directorate (SMD) and Exploration Systems Development Mission Directorate (ESDMD) established a comprehensive Science Team structure to support the Artemis program. This structure includes 1) an Artemis Internal Science Team (AIST), 2) a Geology Team (GT) with additional Participating Scientists (PS) roles, and 3) Payload Teams (PT) for the inclusion of scientific instruments. The GT, PS and PT will be competitively selected for each mission as part of NASA’s Research Opportunities in Space and Earth Sciences (ROSES) solicitations. The AIST provides multi-mission continuity and has been working closely with Artemis program elements to best integrate science into all aspects of planning and development. This abstract serves to provide an AIST update on science relevant hardware developments and integrated testing efforts that occurred in 2022.

Trevor George Graff↗

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗

Operating advanced scientific instruments with AI agents that learn on the job

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations. However, these facilities must continuously evolve to support new experimental workflows, adapt to diverse user projects, and meet growing demands for more intricate instruments and experiments. This continuous development introduces significant operational complexity, necessitating a focus on usability, reproducibility, and intuitive human-instrument interaction. In this work, we explore the integration of agentic AI, powered by Large Language Models (LLMs), as a transformative tool to achieve this goal. We present our approach to developing a human-in-the-loop pipeline for operating advanced instruments including an X-ray nanoprobe beamline and an autonomous robotic station dedicated to the design and characterization of materials. Specifically, we evaluate the potential of various LLMs as trainable scientific assistants for orchestrating complex, multi-task workflows, which also include multimodal data, optimizing their performance through optional human input and iterative learning. We demonstrate the ability of AI agents to bridge the gap between advanced automation and user-friendly operation, paving the way for more adaptable and intelligent scientific facilities.

Large Language Models↗

Dreams, Hopes, Realities: NASA's Goddard Space Flight Center, the First Forty Years

Throughout history, the great achievements of civilizations and cultures have been recorded in lists of dates and events. But to look only at the machinery, discoveries, or milestones is to miss the value of these achievements. Each goal achieved or discovery or made represents a supreme effort on the part of individual people who came and worked together for a purpose greater than themselves. Driven by an innate curiosity of the spirit, we have built civilizations and discovered new worlds, always reaching out beyond what we knew or thought was possible. These efforts may have used ships or machinery, but the achievement was that of the humans who made those machines possible- remarkable people willing to endure discomfort, frustration, fatigue, and the risk of failure in the hope of finding out something new. This is the case with the history of the Goddard Space Flight Center. This publication traces the legacy of successes, risks, disappointments and internationally recognized triumphs of the Center's first 40 years. It is a story of technological achievement and scientific discovery; of reaching back to the dawn of time and opening up a new set of eyes on our own planet Earth. In the end, it is not a story about machinery or discoveries, but a story about ourselves. If we were able to step off our planet, and if we continue to discover new mysteries and better technology, it is because the people who work at Goddard always had a passion for exploration and the dedication to make it happen. The text that follows is a testimony to the challenges people at the Goddard Space Flight Center have faced and overcome over almost half a century. Today, we stand on the threshold of a new and equally challenging era. It will once again test our ingenuity, skills, and flexibility as we find new ways of working with our colleagues in industry, government, and academia. Doing more with less is every bit as ambitious as designing the first science instrument to study the heavens. But if we are to continue exploring our world and our universe, it is every bit as important. Robert H. Goddard once said, "The dream of yesterday is the hope of today and the reality of tomorrow." This is our heritage. Our challenge is to keep our spirit of dedication, vision, and innovative thinking alive, so we can turn today's dreams into a new century of possibility and progress. Our journeys into space are the greatest ongoing adventure the human race has ever undertaken, and everyone here has played an important role in that endeavor. This book is about everyone who has worked at the Goddard Space Flight Center.

Wallace, Lane E.↗

Exploring Carbon Mineral Systems: Recent Advances in C Mineral Evolution, Mineral Ecology, and Network Analysis

Large and growing data resources on the spatial and temporal diversity and distribution of the more than 400 carbon-bearing mineral species reveal patterns of mineral evolution and ecology. Recent advances in analytical and visualization techniques leverage these data and are propelling mineralogy from a largely descriptive field into one of prediction within complex, integrated, multidimensional systems. These discoveries include: (1) systematic changes in the character of carbon minerals and their networks of coexisting species through deep time; (2) improved statistical predictions of the number and types of carbon minerals that occur on Earth but are yet to be discovered and described; and (3) a range of proposed and ongoing studies related to the quantification of network structures and trends, relation of mineral “natural kinds” to their genetic environments, prediction of the location of mineral species across the globe, examination of the tectonic drivers of mineralization through deep time, quantification of preservational and sampling bias in the mineralogical record, and characterization of feedback relationships between minerals and geochemical environments with microbial populations. These aspects of Earth’s carbon mineralogy underscore the complex coevolution of the geosphere and biosphere and highlight the possibility for scientific discovery in Earth and planetary systems.

Carbon↗

Science-Driven Data Management for Multi-Tiered Storage (Final Report)

Scientific discovery at the exascale will not be possible without significant new research in the management, storage and retrieval over the long lifespan of the extreme amounts of data that will be produced. Our thesis is that adding application level knowledge about data to guide the actions of the storage system provides substantial benefits to the organization, storage, and access to extreme scale data, resulting in improved productivity for computational science. In this project we will demonstrate novel techniques to facilitate efficient mapping of data objects, even partitioning individual variables, from the user space onto multiple storage tiers, and enable application-guided data reductions and transformations to address capacity and bandwidth bottlenecks. Our goal is to address the associated Input/ Output (I/O) and storage challenges in the context of current and emerging storage landscapes, and expedite insights into mission critical scientific processes.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Accelerating Structure–Property Relationship Discovery with Multimodal Machine Learning and Self-Driving Microscopy

Microscopy combined with local spectroscopy is widely used to correlate nanoscale structure with functional properties in materials, but conventional measurements rely heavily on human-selected sampling locations and predefined targets, limiting data set diversity and the potential for discovery. Here, we present a framework that integrates autonomous microscopy with dual-novelty deep kernel learning (DN-DKL) for adaptive data acquisition and a dual variational autoencoder (VAE) for representation learning. DN-DKL actively guides the microscopy toward structurally and spectroscopically novel regions, enabling efficient collection of large spectral data sets. Dual-VAE embeds local structures and spectroscopic responses into a shared latent manifold that serves as a structure–property relationship map. We applied this framework for the investigation of halide perovskite films by using conductive atomic force microscopy. The results reveal distinct hysteresis behaviors that are linked to specific nanoscale structural motifs, including grain boundary junction points that show hysteresis under different bias conditions and asymmetric grain boundaries that suppress the charge transport. This framework establishes a general strategy that leverages the complementary strengths of self-driving microscopy, machine learning, and human expertise to accelerate scientific discovery in functional materials.

atomic force microscopy↗

APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

The prediction of protein 3D structure from amino acid sequence is a computational grand challenge in biophysics and plays a key role in robust protein structure prediction algorithms, from drug discovery to genome interpretation. The advent of AI models, such as AlphaFold, is revolutionizing applications that depend on robust protein structure prediction algorithms. To maximize the impact, and ease the usability, of these AI tools we introduce APACE, AlphaFold2 and advanced computing as a service, a computational framework that effectively handles this AI model and its TB-size database to conduct accelerated protein structure prediction analyses in modern supercomputing environments. We deployed APACE in the Delta and Polaris supercomputers and quantified its performance for accurate protein structure predictions using four exemplar proteins: 6AWO, 6OAN, 7MEZ, and 6D6U. Using up to 300 ensembles, distributed across 200 NVIDIA A100 GPUs, we found that APACE is up to two orders of magnitude faster than off-the-self AlphaFold2 implementations, reducing time-to-solution from weeks to minutes. This computational approach may be readily linked with robotics laboratories to automate and accelerate scientific discovery.

97 MATHEMATICS AND COMPUTING↗

Insights From the Software Design of a Multiphysics Multicomponent Scientific Code

Using simulations for scientific discovery requires that the software used in the simulations undergoes a rigorous design and development process similar to that of the lab instruments in the experimental sciences. To devise a good design methodology, it is critical to understand the requirements, constraints, and challenges. Furthermore, this article describes insights from the long-term stewardship of a multiphysics multicomponent software, FLASH, that was designed more than 20 years ago for astrophysics, now serves multiple communities, and has been successful in adapting to the changing world of high-performance computing.

97 MATHEMATICS AND COMPUTING↗

Current Scientific Progress and Future Scientific Prospects Enabled by Spaceborne Precipitation Radar Measurements

First, we examine current scientific progress and understanding that have been possible through use of spaceborne precipitation radar measurements being provided by the TRMM and CloudSat satellites. Second, we look across a future 20-year time frame to assess how and why anticipated improvements in space radar systems will further advance scientific progress into topic areas once considered beyond the realm of space-based remote sensing. JAXA's 13.8 GHz Ku-band cross-track scanning Precipitation Radar (PR) developed for flight on NASA's non-sun-synchronous, diurnally-precessing TRMM satellite, was the first Earth radar flown in space that was designed specifically for precipitation measurement. Its proven accuracy in measuring global rainfall in the tropics and sub-tropics and its unanticipated longevity in continuing these measurements beyond a full decade have established the standards against which all follow-up and future space radars will be evaluated. In regards to the current PR measurement time series, we will discuss a selection of major scientific discoveries and impacts which have set the stage for future radar measuring systems. In fact, the 2nd contemporary space radar applicable for terrestrial precipitation measurement, i.e., JPL-CSA's 94 GHz nadir-staring Cloud Profiling Radar (CPR) flown on NASA's sun-synchronous CloudSat satellite, although designed primarily for measurement of non-precipitating cloud hydrometeors and aerosols, has also unquestionably advanced precipitation measurement because CPR's higher frequency and greatly increased sensitivity (approximately 30 dBZ) has enabled global observations of light rain rate spectrum processes (i.e., rain rates below 0.05 mm per hourand of precipitation processes in the high troposphere (particularly ice phase processes). These processes are beyond reach of the TRMM radar because the PR sensitivity limit is approximately 17 dBZ which means its lower rain rate cutoff is around 0.3 mm per hour and its vertical profiling acuity is greatly limited above the melting layer. Thus, the newer CPR measurements have become important for a variety of scientific reasons that will be highlighted and assessed. In considering scientific progress likely to stem from future precipitation radar systems, we will specifically examine possible scientific impacts from three anticipated missions for which NASA and various of its space agency partners are expected to lead the way. These three missions are: (1) the nearterm Global Precipitation Measuring (GPM) Mission; (2) the decadal timeline Aerosol and Cloud Experiment (ACE) Mission; and the post-decadal timeline NEXRAD in Space (NIS) Mission. The observational capabilities of the planned radar systems for each of these three satellite missions are distinct from each other and each provides progressive improvements in precipitation measuring and scientific research capabilities relative to where we are now -- insofar as TRMM PR and the CloudSat CPR capabilities. The potential innovations in scientific research will be discussed in a framework of likely synergisms between next-generation radar capabilities and accessible dynamical and microphysical properties that have heretofore evaded detection.

Smith, Eric A.↗

US Department of Energy, Office of Science, High-Performance Computing Facility: 2023 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure. As a US Department of Energy (DOE) Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world. In calendar year (CY) 2023, the OLCF supported 1,676 users and 598 projects and exceeded all targets for user satisfaction. The facility received an average satisfaction score of 4.52 out of 5 on the annual user survey, and 94% of respondents reported a high satisfaction rate with the OLCF overall. Of the 3,619 user tickets submitted in CY 2023, OLCF staff resolved 97% within 3 business days. The facility opened Frontier to full scientific operations this year. Two projects conducted on Frontier received the Association for Computing Machinery (ACM) Gordon Bell Prize and the Gordon Bell Special Prize for Climate Modeling, and a third earned a nomination as a Gordon Bell Prize finalist. The facility’s previous flagship machine, Summit, gained new life and was extended through 2024 in part to help provide resources to the Integrated Research Infrastructure (IRI) projects and the National Artificial Intelligence Research Resource (NAIRR) pilot program. The facility instantiated an Advanced Computing Ecosystem testbed in part to support IRI workflows. OLCF made interactivity easier and more accessible to users than ever through tools like Jupyter notebooks and workflows.

97 MATHEMATICS AND COMPUTING↗

A Framework for International Collaboration on ITER Using Large-Scale Data Transfer to Enable Near-Real-Time Analysis

The global nature of the ITER project along with its projected ~ petabyte per day data generation presents a unique challenge, but also an opportunity for the fusion community to rethink, optimize, and enhance our scientific discovery process. Recognizing this, collaborative research with computational scientists was undertaken over the past several years to create a framework for large-scale data movement across wide-area networks (WANs), to enable global near-real time analysis of fusion data. This would broaden the available computational resources for analysis/simulation, and increase the number of researchers actively participating in experiments. An official demonstration of this framework for fast, large data transfer and real-time analysis was carried out between the KSTAR tokamak in Daejeon, Korea and PPPL in Princeton, USA. Streaming large data transfer, with near real-time movie creation and analysis of the KSTAR Electron Cyclotron Emission imaging (ECEI) data, was performed using the I/O framework ADIOS, and comparisons made at PPPL with simulation results from the XGC1 code. These demonstrations were made possible utilizing an optimized network configuration at PPPL, which achieved over 8.8 Gbps (88% utilization) in throughput tests from NFRI to PPPL. This demonstration showed the feasibility for large-scale data analysis of KSTAR data, and provides a nascent framework to enable use of globally distributed computational and personnel resources in pursuit of scientific knowledge from the ITER experiment.

43 PARTICLE ACCELERATORS↗

Astronomaly at scale: searching for anomalies amongst 4 million galaxies

ABSTRACT Modern astronomical surveys are producing data sets of unprecedented size and richness, increasing the potential for high-impact scientific discovery. This possibility, coupled with the challenge of exploring a large number of sources, has led to the development of novel machine-learning-based anomaly detection approaches, such as astronomaly. For the first time, we test the scalability of astronomaly by applying it to almost 4 million images of galaxies from the Dark Energy Camera Legacy Survey. We use a trained deep learning algorithm to learn useful representations of the images and pass these to the anomaly detection algorithm isolation forest, coupled with astronomaly’s active learning method, to discover interesting sources. We find that data selection criteria have a significant impact on the trade-off between finding rare sources such as strong lenses and introducing artefacts into the data set. We demonstrate that active learning is required to identify the most interesting sources and reduce artefacts, while anomaly detection methods alone are insufficient. Using astronomaly, we find 1635 anomalies among the top 2000 sources in the data set after applying active learning, including eight strong gravitational lens candidates, 1609 galaxy merger candidates, and 18 previously unidentified sources exhibiting highly unusual morphology. Our results show that by leveraging the human–machine interface, astronomaly is able to rapidly identify sources of scientific interest even in large data sets.

Astronomy & Astrophysics↗

Sensitive Resources Assessment and Forest Analysis for the Proposed Versatile Test Reactor, Oak Ridge, Tennessee

The US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre (~13,000-ha) Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park (NERP) and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education also represent potential effects of federal actions on the NERP, and impacts on, e.g., deer harvest, must be considered on the Oak Ridge Wildlife Management Area when other aspects of the human environment are affected. The United States currently has no fast neutron testing capability to support advanced nuclear research and development. The proposed Versatile Test Reactor (VTR) will take advantage of current investments by the US government and private industry in nuclear reactors to expedite the design and construction process, using proven technology to create a world-class scientific infrastructure. The VTR will take advantage of fast neutrons provided by this proven technology, along with a capability to rapidly insert, conduct, and remove state-of-the-art experiments. An advantage of the VTR is that it can support future innovations in experimental capabilities without modifying the facility. The VTR will support progress in a variety of science and technology areas, including testing and qualification of advanced reactor fuels; testing and qualification of innovative structural materials; testing of innovative components and instruments; validation of advanced modeling and simulation tools; and versatility for future technical missions. Through proven technology, the VTR can take advantage of existing reactor designs and operating experience to reduce the risk, cost, and time for design and construction. The top available resources of DOE laboratories, industry, and universities will be used to expedite reactor design and construction toward developing the scientific infrastructure that affords a strong testing capability that can be sustained over many years. This report summarizes current knowledge of natural and cultural resources primarily within the VTR construction area. At the time of this report, the proposed VTR site design includes a construction area of ~150.4 acres (~69.9 ha), which contains an ~51.3-acre (~20.8-ha) operations area, located within forested natural areas of the ORR. The primary goal of the work presented here was to evaluate potential effects on sensitive resources that might result from development and construction activities associated with VTR. In addition to on-the-ground surveys during spring and summer 2020 by the ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled from a 2011 forest inventory and supplemented with limited ground observations in 2020. The individuals who obtained and compiled the data presented here are familiar with and routinely assess sensitive resources on the ORR. Anyone who references this report must consider that the timing of surveys did not permit a complete delineation of the resources that will be affected. If the VTR project proceeds, additional surveys will be required to account for the seasonal patterns of various threatened and endangered species. Data deficiencies and potential resources that likely went undetected are indicated where possible. Accordingly, this report should facilitate more environmentally sound decisions during planning and 2 development of the VTR site, provide a foundation for further assessment of sensitive and cultural resources, and help project managers better address regulatory guidance and DOE policies on sustainable development in compliance with, for example, the US Endangered Species Act (ESA), Migratory Bird Treaty Act (MBTA), Tennessee Rare Plant Protection and Conservation Act of 1985, Tennessee Nongame and Endangered or Threatened Wildlife Species Conservation Act of 1974, several federal and state regulations regarding aquatic resource protection, and site-specific policies as outlined in various ORR management plans developed by ORNL and TWRA for DOE.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The Active Asteroids Citizen Science Program: Overview and First Results

Abstract We present the Citizen Science program Active Asteroids and describe discoveries stemming from our ongoing project. Our NASA Partner program is hosted on the Zooniverse online platform and launched on 2021 August 31, with the goal of engaging the community in the search for active asteroids—asteroids with comet-like tails or comae. We also set out to identify other unusual active solar system objects, such as active Centaurs, active quasi-Hilda asteroids (QHAs), and Jupiter-family comets (JFCs). Active objects are rare in large part because they are difficult to identify, so we ask volunteers to assist us in searching for active bodies in our collection of millions of images of known minor planets. We produced these cutout images with our project pipeline that makes use of publicly available Dark Energy Camera data. Since the project launch, roughly 8300 volunteers have scrutinized some 430,000 images to great effect, which we describe in this work. In total, we have identified previously unknown activity on 15 asteroids, plus one Centaur, that were thought to be asteroidal (i.e., inactive). Of the asteroids, we classify four as active QHAs, seven as JFCs, and four as active asteroids, consisting of one main-belt comet (MBC) and three MBC candidates. We also include our findings concerning known active objects that our program facilitated, an unanticipated avenue of scientific discovery. These include discovering activity occurring during an orbital epoch for which objects were not known to be active, and the reclassification of objects based on our dynamical analyses.

Astronomy & Astrophysics↗

NASA Space Launch System Operations Outlook

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center (MSFC), is working with the Ground Systems Development and Operations (GSDO) Program, based at the Kennedy Space Center (KSC), to deliver a new safe, affordable, and sustainable capability for human and scientific exploration beyond Earth's orbit (BEO). Larger than the Saturn V Moon rocket, SLS will provide 10 percent more thrust at liftoff in its initial 70 metric ton (t) configuration and 20 percent more in its evolved 130-t configuration. The primary mission of the SLS rocket will be to launch astronauts to deep space destinations in the Orion Multi-Purpose Crew Vehicle (MPCV), also in development and managed by the Johnson Space Center. Several high-priority science missions also may benefit from the increased payload volume and reduced trip times offered by this powerful, versatile rocket. Reducing the life-cycle costs for NASA's space transportation flagship will maximize the exploration and scientific discovery returned from the taxpayer's investment. To that end, decisions made during development of SLS and associated systems will impact the nation's space exploration capabilities for decades. This paper will provide an update to the operations strategy presented at SpaceOps 2012. It will focus on: 1) Preparations to streamline the processing flow and infrastructure needed to produce and launch the world's largest rocket (i.e., through incorporation and modification of proven, heritage systems into the vehicle and ground systems); 2) Implementation of a lean approach to reachback support of hardware manufacturing, green-run testing, and launch site processing and activities; and 3) Partnering between the vehicle design and operations communities on state-ofthe- art predictive operations analysis techniques. An example of innovation is testing the integrated vehicle at the processing facility in parallel, rather than sequentially, saving both time and money. These themes are accomplished under the context of a new cross-program integration model that emphasizes peer-to-peer accountability and collaboration towards a common, shared goal. Utilizing the lessons learned through 50 years of human space flight experience, SLS is assigning the right number of people from appropriate backgrounds, providing them the right tools, and exercising the right processes for the job. The result will be a powerful, versatile, and capable heavy-lift, human-rated asset for the future human and scientific exploration of space.

Hefner, William Keith↗

NASA Space Launch System Operations Outlook

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center (MSFC), is working with the Ground Systems Development and Operations (GSDO) Program, based at the Kennedy Space Center (KSC), to deliver a new safe, affordable, and sustainable capability for human and scientific exploration beyond Earth's orbit (BEO). Larger than the Saturn V Moon rocket, SLS will provide 10 percent more thrust at liftoff in its initial 70 metric ton (t) configuration and 20 percent more in its evolved 130-t configuration. The primary mission of the SLS rocket will be to launch astronauts to deep space destinations in the Orion Multi- Purpose Crew Vehicle (MPCV), also in development and managed by the Johnson Space Center. Several high-priority science missions also may benefit from the increased payload volume and reduced trip times offered by this powerful, versatile rocket. Reducing the lifecycle costs for NASA's space transportation flagship will maximize the exploration and scientific discovery returned from the taxpayer's investment. To that end, decisions made during development of SLS and associated systems will impact the nation's space exploration capabilities for decades. This paper will provide an update to the operations strategy presented at SpaceOps 2012. It will focus on: 1) Preparations to streamline the processing flow and infrastructure needed to produce and launch the world's largest rocket (i.e., through incorporation and modification of proven, heritage systems into the vehicle and ground systems); 2) Implementation of a lean approach to reach-back support of hardware manufacturing, green-run testing, and launch site processing and activities; and 3) Partnering between the vehicle design and operations communities on state-of-the-art predictive operations analysis techniques. An example of innovation is testing the integrated vehicle at the processing facility in parallel, rather than sequentially, saving both time and money. These themes are accomplished under the context of a new cross-program integration model that emphasizes peer-to-peer accountability and collaboration towards a common, shared goal. Utilizing the lessons learned through 50 years of human space flight experience, SLS is assigning the right number of people from appropriate backgrounds, providing them the right tools, and exercising the right processes for the job. The result will be a powerful, versatile, and capable heavy-lift, human-rated asset for the future human and scientific exploration of space.

Hefner, William Keith↗

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗