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Examples of Mission-driven Data Science from Jefferson Lab and ACES

This presentation details mission-driven data science initiatives at Jefferson Lab and the Joint Institute for Advanced Computing on Environmental Studies (ACES). JLab, a U.S. Department of Energy Office of Science national laboratory, operates the Continuous Electron Beam Accelerator Facility (CEBAF), and is the lead institute for the new High Performance Data Facility (HPDF) Hub. The Joint Institute for ACES brings together interdisciplinary teams in health informatics, climate modeling, computer science, and physics to address environmental challenges, including flood modeling. The Hampton Roads region, particularly Norfolk and Virginia Beach, faces increasing flood risks, motivating the need for rapid, reliable, and risk-aware decision support. ACES’s flooding work has a focus on uncertainty quantification (UQ) and machine learning (ML) for coastal flood management. The work is motivated by the increasing vulnerability of communities such as Norfolk and Virginia Beach, Virginia, to frequent coastal flooding events, and the need for rapid, reliable decision support. The research develops computationally efficient ML surrogate models to forecast water levels and flooding risk. A central theme is the quantification and calibration of predictive uncertainty, especially for out-of-distribution (OOD) scenarios, using techniques such as Monte Carlo Dropout, Deep Ensembles, Gaussian Processes, and Deep Quantile Regression (DQR). The study demonstrates that distance-aware UQ is critical for reliable scientific AI, particularly in high-dimensional, safety-critical, and real-time applications.

McSpadden, Diana [Thomas Jefferson National Accele↗

New approaches to Bayesian uncertainty quantification for Nuclear Science (Final Technical Report)

Inverse problems play a central role in experimentation and theory/data comparisons for many areas of modern Nuclear Physics (NP) and High-Energy Physics (HEP). Bayes’s Theorem is a powerful tool for solving Inverse Problems, providing conceptually transparent and unbiased constraints on theoretical parameters and their uncertainties (“Bayesian Inference”) and enabling the quantification of agreement or tension between models and data. However, analyses based on Bayesian Inference are often challenging for NP and HEP applications, either because of the large number of parameters in the problem, the high computational cost, or both. We propose a multi-institutional collaboration to develop and deploy novel Bayesian analysis tools that advance the scientific scope of a broad range of current and future NP experiments. This project brings together NP domain scientists working on several high-profile NP projects for which new, high-performance Bayesian Uncertainty Quantification (“Bayesian UQ”) methods are essential to carry out the science, and data scientists who are developing state-of-the-art methods applicable to these problems. The NP projects in this proposal comprise measurements of the mass and fundamental nature of the neutrino; study of the Quark-Gluon Plasma that filled the early universe; and mapping of natural and anthropogenic radiation environments. While these NP projects have very different scientific goals, with datasets and analysis approaches that differ significantly, they share common requirements for improving computationally intensive Bayesian analyses using advanced Machine Learning algorithms and will benefit strongly from a coherent effort to develop general solutions. This proposal brings together these projects and forefront ML-based data science algorithms to develop such general solutions. The methods developed in this project will also be more widely applicable, thereby advancing science in the larger Nuclear Physics portfolio.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

EMSL Community Science Campaign Meeting: Critical Minerals and Materials - Rhizo Critical Campaign Breakout Session Report Summary

The “Critical Minerals Biogeochemistry in the Rhizosphere – Ultramafic Soils (Rhizo Critical)” campaign breakout (BO) session was organized to identify major knowledge gaps and fundamental research needs in rhizosphere microbiology and geochemistry that, if addressed, could transform our ability to recover critical minerals from ultramafic soil systems. We sought to identify significant challenges that must be surmounted in the pursuit of deeper science knowledge. Our ultimate goal is to understand this landscape well enough to identify and prioritize opportunities for EMSL to make the greatest impact with Environmental Transformations and Interactions (ETI) science area research campaigns focused on the biogeochemical processes controlling the behavior of critical minerals and materials in the rhizosphere. The increasing demand for critical materials and minerals (CMM) in the U.S. has heightened interest in low-grade ores with much attention on ultramafic soils, which contain valuable metals such as nickel (Ni), chromium (Cr), manganese, cobalt (Co), and copper (Lee et al., 2025; DOE CMM Report, 2023) used in advanced battery, magnet, wiring and wind turbines, and stainless steel technologies. Metal hyperaccumulating plants grown in ultramafic soils can extract economically valuable concentrations of CMMs through the process of phytomining. This technology has evolved from phytoremediation, which involves using plants to cleanse contaminated environments by removing, detoxifying, or stabilizing pollutants like metals and organic compounds. Hyperaccumulator plants are capable of storing metals in their living tissues at concentrations hundreds to thousands of times higher than those found in 'normal' plants. For instance, while the average concentration of Ni in the dry matter of plants growing in typical soils is usually less than 5 µg g?¹, Ni hyperaccumulation is defined by concentrations exceeding 1,000 µg g?¹ (Corzo Remigio et al., 2020; Reeves et al., 2018). Phytomining research has primarily focused on Ni (Rylott and van der Ent, 2025), for which the U.S. has very limited conventional mines in operation. Most soils typically contain Ni concentrations ranging from 7 to 50 mg kg-1, whereas serpentine soils exhibit significantly higher levels, with Ni content often ranging between 700 and 8,000 mg kg-1 (Sobczyk et al., 2017). While more than 500 plant species in over 50 different families have been identified as Ni hyperaccumulators (Kidd et al., 2018), Ni phytomining (and phytominng in general) remains largely untested because most studies are short-term, small-scale, and conducted under simplified or artificially enriched conditions, so they fail to capture the low metal concentrations, environmental variability, and management constraints that would be needed for a field-scale demonstration. Few hyperaccumulator species have been validated as true “metal crops,” and their biomass production, stress tolerance, and rooting characteristics are usually too poor to yield economically meaningful metal outputs. Critically, the basic mechanisms of metal uptake, transport, and sequestration, especially as shaped by belowground processes such as root exudation, rhizosphere chemistry, and root–microbe interactions that control metal mobility and bioavailability (Montreemuk et al., 2023; Kidd et al., 2018; Durand et al., 2023; Alford et al., 2010), are still only partially understood, and downstream metal recovery from biomass is rarely optimized. Because these limitations stem from gaps in fundamental knowledge rather than from a failure of the concept itself (Rylott and van der Ent, 2025; van der Ent et al., 2015), there is a strong need for basic science that dissects plant metal homeostasis, rhizosphere and microbial processes, and their integration with soil chemistry and process engineering to design more robust, scalable phytomining systems.

Ahkami, Amirhossein↗

LSST: From Science Drivers to Reference Design and Anticipated Data Products

We describe the most ambitious survey currently planned in the optical, the Large Synoptic Survey Telescope (LSST). The LSST design is driven by four main science themes: probing dark energy and dark matter, taking an inventory of the solar system, exploring the transient optical sky, and mapping the Milky Way. LSST will be a large, wide-field ground-based system designed to obtain repeated images covering the sky visible from Cerro Pachón in northern Chile. The telescope will have an 8.4 m (6.5 m effective) primary mirror, a 9.6 deg 2 field of view, a 3.2-gigapixel camera, and six filters (ugrizy) covering the wavelength range 320–1050 nm. The project is in the construction phase and will begin regular survey operations by 2022. About 90% of the observing time will be devoted to a deep-wide-fast survey mode that will uniformly observe a 18,000 deg 2 region about 800 times (summed over all six bands) during the anticipated 10 yr of operations and will yield a co-added map to r ~ 27.5. These data will result in databases including about 32 trillion observations of 20 billion galaxies and a similar number of stars, and they will serve the majority of the primary science programs. The remaining 10% of the observing time will be allocated to special projects such as Very Deep and Very Fast time domain surveys, whose details are currently under discussion. We illustrate how the LSST science drivers led to these choices of system parameters, and we describe the expected data products and their characteristics.

79 ASTRONOMY AND ASTROPHYSICS↗

The One-hundred-deg 2 DECam Imaging in Narrowbands (ODIN): Survey Design and Science Goals

We describe the survey design and science goals for One-hundred-deg 2 DECam Imaging in Narrowbands (ODIN), a NOIRLab survey using the Dark Energy Camera (DECam) to obtain deep (AB ~ 25.7) narrowband images over an unprecedented area of sky. The three custom-built narrowband filters, N419, N501, and N673, have central wavelengths of 419, 501, and 673 nm and respective FWHM of 7.5, 7.6, and 10.0 nm, corresponding to Lyα at z = 2.4, 3.1, and 4.5 and cosmic times of 2.8, 2.1, and 1.4 Gyr, respectively. When combined with even deeper, public broadband data from the Hyper Suprime-Cam, DECam, and in the future, the Legacy Survey of Space and Time, the ODIN narrowband images will enable the selection of over 100,000 Lyα-emitting (LAE) galaxies at these epochs. ODIN-selected LAEs will identify protoclusters as galaxy overdensities, and the deep narrowband images enable detection of highly extended Lyα blobs (LABs). Primary science goals include measuring the clustering strength and dark matter halo connection of LAEs, LABs, and protoclusters, and their respective relationship to filaments in the cosmic web. The three epochs allow for the redshift evolution of these properties to be determined during the period known as Cosmic Noon, where star formation was at its peak. The narrowband filter wavelengths are designed to enable interloper rejection and further scientific studies by revealing [O II] and [O III] at z = 0.34, Lyα and He II 1640 at z = 3.1, and Lyman continuum plus Lyα at z = 4.5. Ancillary science includes similar studies of the lower-redshift emission-line galaxy samples and investigations of nearby starforming galaxies resolved into numerous [O III] and [S II] emitting regions.

79 ASTRONOMY AND ASTROPHYSICS↗

CosmoDC2: A Synthetic Sky Catalog for Dark Energy Science with LSST

This paper introduces cosmoDC2, a large synthetic galaxy catalog designed to support precision dark energy science with the Large Synoptic Survey Telescope (LSST). CosmoDC2 is the starting point for the second data challenge (DC2) carried out by the LSST Dark Energy Science Collaboration (LSST DESC). The catalog is based on a trillion-particle, (4.225 Gpc) 3 box cosmological N-body simulation, the Outer Rim run. It covers 440 deg 2 of sky area to a redshift of z = 3 and matches expected number densities from contemporary surveys to a magnitude depth of 28 in the r band. Each galaxy is characterized by a multitude of galaxy properties including stellar mass, morphology, spectral energy distributions, broadband filter magnitudes, host halo information, and weak lensing shear. The size and complexity of cosmoDC2 requires an efficient catalog generation methodology; our approach is based on a new hybrid technique that combines data-based empirical approaches with semianalytic galaxy modeling. A wide range of observation-based validation tests has been implemented to ensure that cosmoDC2 enables the science goals of the planned LSST DESC DC2 analyses. This paper also represents the official release of the cosmoDC2 data set, including an efficient reader that facilitates interaction with the data.

79 ASTRONOMY AND ASTROPHYSICS↗

CCAT-prime Collaboration: Science Goals and Forecasts with Prime-Cam on the Fred Young Submillimeter Telescope

Abstract We present a detailed overview of the science goals and predictions for the Prime-Cam direct-detection camera–spectrometer being constructed by the CCAT-prime collaboration for dedicated use on the Fred Young Submillimeter Telescope (FYST). The FYST is a wide-field, 6 m aperture submillimeter telescope being built (first light in late 2023) by an international consortium of institutions led by Cornell University and sited at more than 5600 m on Cerro Chajnantor in northern Chile. Prime-Cam is one of two instruments planned for FYST and will provide unprecedented spectroscopic and broadband measurement capabilities to address important astrophysical questions ranging from Big Bang cosmology through reionization and the formation of the first galaxies to star formation within our own Milky Way. Prime-Cam on the FYST will have a mapping speed that is over 10 times greater than existing and near-term facilities for high-redshift science and broadband polarimetric imaging at frequencies above 300 GHz. We describe details of the science program enabled by this system and our preliminary survey strategies.

79 ASTRONOMY AND ASTROPHYSICS↗

Opportunities in AI/ML for the Rubin LSST Dark Energy Science Collaboration

The Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) will produce unprecedented volumes of heterogeneous astronomical data (images, catalogs, and alerts) that challenge traditional analysis pipelines. The LSST Dark Energy Science Collaboration (DESC) aims to derive robust constraints on dark energy and dark matter from these data, requiring methods that are statistically powerful, scalable, and operationally reliable. Artificial intelligence and machine learning (AI/ML) are already embedded across DESC science workflows, from photometric redshifts and transient classification to weak lensing inference and cosmological simulations. Yet their utility for precision cosmology hinges on trustworthy uncertainty quantification, robustness to covariate shift and model misspecification, and reproducible integration within scientific pipelines. This white paper surveys the current landscape of AI/ML across DESC's primary cosmological probes and cross-cutting analyses, revealing that the same core methodologies and fundamental challenges recur across disparate science cases. Since progress on these cross-cutting challenges would benefit multiple probes simultaneously, we identify key methodological research priorities, including Bayesian inference at scale, physics-informed methods, validation frameworks, and active learning for discovery. With an eye on emerging techniques, we also explore the potential of the latest foundation model methodologies and LLM-driven agentic AI systems to reshape DESC workflows, provided their deployment is coupled with rigorous evaluation and governance. Finally, we discuss critical software, computing, data infrastructure, and human capital requirements for the successful deployment of these new methodologies, and consider associated risks and opportunities for broader coordination with external actors.

Aubourg, Eric [APC, Paris] (ORCID:000000025592023X↗

Radiation effects on science instruments in Grand Tour type missions

The extent of the radiation effects problem is delineated, along with the status of protective designs for 15 representative science instruments. Designs for protecting science instruments from radiation damage is discussed for the various instruments to be employed in the Grand Tour type missions. A literature search effort was undertaken to collect science instrument components damage/interference effects data on the various sensitive components such as Si detectors, vidicon tubes, etc. A small experimental effort is underway to provide verification of the radiation effects predictions.

Parker, R. H.↗

Technology assessment or technology harassment: The attacks on science and technology

The manner in which technology is being assessed by various groups and individuals is discussed. Attacks on science and technology (specifically military uses and funding), and the disillusionment of the public with the lack of relevance of science to the public interest and with the infallible wisdom of scientists are described. The effects of the fear of environmental pollution are emphasized. It is concluded that the important issues of science, technology, and public policy will require a pluralistic definition of the public interest by open adversary proceedings. It is also felt that the danger is not that new technology will receive inadequate assessment for possible deleterious secondary effects, but that harassment by an overemotional political process may prevent its coming to fruition.

Green, L., Jr.↗

Airborne-science techniques aid Shuttle planning.

In the sortie mode the Shuttle bay becomes a laboratory for a wide variety of space experiments and observations. Scientists and engineers can man this laboratory for investigations conducted in a space environment. A special program, called ASSESS (Airborne Science/Shuttle Experiment System Simulation) has been instituted to conduct exhaustive studies of the airborne-science concept as it may apply to Shuttle planning. The ASSESS program is described in detail together with the airborne-science operation pertinent to the Shuttle. Similarities of airborne science aircraft to the Shuttle are considered along with the results of a simulation mission, flown in October 1972.

Mulholland, D. R.↗

Public science policy and administration

Science, the overwhelming concern of our time, is no longer a matter of private research and development but one of public policy and administration, in which government, industry, foundations, and educational institutions must all work together as never before. Few other single tasks are of such decisive importance to the collective and individual welfare of American citizens as the formulation of public science policy and the administration of scientific programs. Eleven national authorities of varied background in science, education, and government administration contribute their experience and their judgment in an effort to deal with the major aspects of the subject. Their focus is on the meeting of actual problems; they consider the decision making process in both public and public-private organizations. Topics are grouped in three general categories: personnel needs and resources, organizational problems and techniques, and the administrative role in policy leadership.

Rosenthal, A. H.↗

System design of the Pioneer Venus spacecraft. Volume 2: Science

The objectives of the low-cost Pioneer Venus space probe program are discussed. The space mission and science requirements are analyzed. The subjects considered are as follows: (1) the multiprobe mission, (2) the orbiter mission, (3) science payload accomodations, and (4) orbiter spacecraft experimental interface specifications. Tables of data are provided to show the science allocations for large and small probes. Illustrations of the systems and components of various probe configurations are included.

Acheson, L. K.↗

Possibility of using sources of vacuum ultraviolet irradiation to solve problems of space material science

An urgent problem in space materials science is simulating the interaction of vacuum ultraviolet (VUV) of solar emission with solids in space conditions, that is, producing a light source with a distribution that approximates the distribution of solar energy. Information is presented on the distribution of the energy flux of VUV of solar radiation. Requirements that must be satisfied by the VUV source used for space materials science are formulated, and a critical evaluation is given of the possibilities of using existing sources for space materials science. From this evaluation it was established that none of the sources of VUV satisfies the specific requirements imposed on the simulator of solar radiation. A solution to the problem was found to be in the development of a new type of source based on exciting a supersonic gas jet flowing into vacuum with a sense electron beam. A description of this gas-jet source, along with its spectral and operation characteristics, is presented.

Verkhoutseva, E. T.↗

Science considerations for an orbital radar mapping mission to Venus

A radar mapping mission to Venus is under consideration by NASA for the 1980s. The science objectives of the mission are to determine the geologic history of the planet; map the major topographic features and provide limited detailed geologic and terrain analysis of potential probe landing sites. Because of the thick Venusian atmosphere, a synthetic-aperture side-looking radar system has been selected as the most practical remote sensing instruments to use. Topographic data are the most useful for achieving the science goals of the mission. The radar system variables and mission parameters must be specified to maximize topographic data returns while being compatible with engineering and cost restraints. A baseline imaging resolution of 100 meters, with ability to obtain some higher-resolution coverage, is acceptable. Total planet coverage is desirable but the primary science objectives can be achieved if at least one entire hemisphere is imaged.

Wychgram, D. C.↗

Definition of Life Sciences laboratories for shuttle/Spacelab. Volume 1: Executive summary

Research requirements and the laboratories needed to support a Life Sciences research program during the shuttle/Spacelab era were investigated. A common operational research equipment inventory was developed to support a comprehensive but flexible Life Sciences program. Candidate laboratories and operational schedules were defined and evaluated in terms of accomodation with the Spacelab and overall program planning. Results provide a firm foundation for the initiation of a life science program for the shuttle era.

Source record↗

The concept verification testing of materials science payloads

The concept Verification Testing (CVT) project at the Marshall Space Flight Center, Alabama, is a developmental activity that supports Shuttle Payload Projects such as Spacelab. It provides an operational 1-g environment for testing NASA and other agency experiment and support systems concepts that may be used in shuttle. A dedicated Materials Science Payload was tested in the General Purpose Laboratory to assess the requirements of a space processing payload on a Spacelab type facility. Physical and functional integration of the experiments into the facility was studied, and the impact of the experiments on the facility (and vice versa) was evaluated. A follow-up test designated CVT Test IVA was also held. The purpose of this test was to repeat Test IV experiments with a crew composed of selected and trained scientists. These personnel were not required to have prior knowledge of the materials science disciplines, but were required to have a basic knowledge of science and the scientific method.

Griner, C. S.↗

A Titan exploration study: Science, technology and mission planning options, volume 1

Mission concepts and technology advancements that can be used in the exploration of the outer planet satellites were examined. Titan, the seventh satellite of Saturn was selected as the target of interest. Science objectives for Titan exploration were identified, and recommended science payloads for four basic mission modes were developed (orbiter, atmospheric probe, surface penetrator and lander). Trial spacecraft and mission designs were produced for the various mission modes. Using these trial designs as a base, technology excursions were then made to find solutions to the problems resulting from these conventional approaches and to uncover new science, technology and mission planning options. Several mission modes were developed that take advantage of the unique conditions expected at Titan. They include a combined orbiter, atmosphere probe and lander vehicle, a combined probe and surface penetrator configuration and concepts for advanced remote sensing orbiters.

Tindle, E. L.↗