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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Enabling FAIR data in Earth and environmental science with community-centric (meta)data reporting formats

Abstract Research can be more transparent and collaborative by using Findable, Accessible, Interoperable, and Reusable (FAIR) principles to publish Earth and environmental science data. Reporting formats—instructions, templates, and tools for consistently formatting data within a discipline—can help make data more accessible and reusable. However, the immense diversity of data types across Earth science disciplines makes development and adoption challenging. Here, we describe 11 community reporting formats for a diverse set of Earth science (meta)data including cross-domain metadata (dataset metadata, location metadata, sample metadata), file-formatting guidelines (file-level metadata, CSV files, terrestrial model data archiving), and domain-specific reporting formats for some biological, geochemical, and hydrological data (amplicon abundance tables, leaf-level gas exchange, soil respiration, water and sediment chemistry, sensor-based hydrologic measurements). More broadly, we provide guidelines that communities can use to create new (meta)data formats that integrate with their scientific workflows. Such reporting formats have the potential to accelerate scientific discovery and predictions by making it easier for data contributors to provide (meta)data that are more interoperable and reusable.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Bioenergy Underground: Challenges and opportunities for phenotyping roots and the microbiome for sustainable bioenergy crop production

Abstract Bioenergy production often focuses on the aboveground feedstock production for conversion to fuel and other materials. However, the belowground component is crucial for soil carbon sequestration, greenhouse gas fluxes, and ecosystem function. Roots maximize feedstock production on marginal lands by acquiring soil resources and mediating soil ecosystem processes through interactions with the microbial community. This belowground world is challenging to observe and quantify; however, there are unprecedented opportunities using current methodologies to bring roots, microbes, and soil into focus. These opportunities allow not only breeding for increased feedstock production but breeding for increased soil health and carbon sequestration as well. A recent workshop hosted by the USDOE Bioenergy Research Centers highlighted these challenges and opportunities while creating a roadmap for increased collaboration and data interoperability through standardization of methodologies and data using F.A.I.R. principles. This article provides a background on the need for belowground research in bioenergy cropping systems, a primer on root system properties of major U.S. bioenergy crops, and an overview of the roles of root chemistry, exudation, and microbial interactions on sustainability. Crucially, we outline how to adopt standardized measures and databases to meet the most pressing methodological needs to accelerate root, soil, and microbial research to meet the pressing societal challenges of the century.

09 BIOMASS FUELS↗
DOE OSTI2023

LA100 Equity Strategies. Chapter 3: Community-Guided Energy Equity Strategies

The LA100 Equity Strategies project synthesizes community guidance with robust research, modeling, and analysis to identify strategy options that can increase equitable outcomes in Los Angeles' clean energy transition. Grounded in the analysis of past and ongoing energy inequities and engagement with underserved communities, the project presents community-guided strategies that aim to operationalize recognition and procedural justice. Chapters 1 and 2 target the problem space - the causal factors, impact areas, and values affecting LA's energy justice landscape. This chapter threads those themes through to begin focusing on the solution space. We examine community-identified problems and solutions through the lens of recognition and procedural justice, presenting analysis and strategies that form the basis for more equitable outcomes in LA's energy transition. In our listening sessions, underserved Angelenos highlighted the need to transition away from the status quo one participant described as "transactional extraction of information to check the box. To say yes, we engaged." She asked the LA Department of Water and Power (LADWP) to approach her community with respect and transparency, stating, "We consider you all to be experts in your community, and we'd like to authentically engage with you in the decision-making process. So, I do think there needs to be some intentional actions for that rapport building and that trust building." The community-informed analysis and strategies described in this chapter, which are foundational to the LA100 Equity Strategies project, rise to the challenge of engaging authentically to build rapport, establish relationships of respect, and meaningfully involve Angelenos in the decision-making process. LADWP is already making concerted efforts to redress a disproportionate distribution of investments in physical infrastructure and energy efficient technologies in Los Angeles. This chapter concentrates on the challenge to further rectify past and ongoing inequities in the social, cultural, and institutional scaffolding of Los Angeles. We examine community-guided strategies to tackle this challenge, informed by community input on how all Angelenos can equitably access green jobs and affordable, safe, and resilient energy services, technologies, and programs. These actionable strategies can help move energy equity programs from plans to applied practices, supporting LADWP in launching a just and equitable clean energy transition.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Open Power System Datasets and Open Simulation Engines: A Survey Toward Machine Learning Applications

A major factor behind the success of machine learning (ML) models in multiple domains is the availability and accessibility of large, labeled, and well-organized datasets for training and benchmarking. In comparison, power grid datasets face three major challenges: (i) real-world data is often restricted by regulatory constraints, privacy reasons, or security concerns, making it difficult to obtain and work with; (ii) synthetic datasets, which are created to address these limitations, often have incomplete information and are released using specialized tools, making them inaccessible to the broader community; and, (iii) input-output datasets are difficult to generate through simulation for non-experts because open-source simulators are not known outside the power system community. This survey addresses these challenges by serving as an entry point to publicly available datasets and simulators for researchers venturing in this area. We review the current landscape of open-source power network data, machine models, consumer demand profiles, renewable generation data, and inverter models. We also examine open-source power system simulators, which are crucial for generating high-quality, high-fidelity power grid datasets. We aim to provide a foundation for overcoming data scarcity and advance towards a structured web of datasets and simulators to support the development of ML for power systems.

42 ENGINEERING↗
NASA NTRSDate not supplied

Statistical Considerations for the Design and Execution of NASA's Community Noise Surveys

The World Health Organization defines community noise as noise emitted from all sources apart from noise at an industrial workplace. Example sources include neighborhood and construction noise, noise from road and rail, and air traffic noise. In particular, overland supersonic flights have been banned in the United States since the 1970s based on data accumulated during the 1960s; the degree of reported annoyance from the resulting sonic booms was a key factor leading to the prohibition. In subsequent years, scientific and engineering understanding has led to the potential to produce low amplitude sonic booms, or ‘sonic thumps’, during supersonic flight through aircraft design choices. Aircraft manufacturers have expressed renewed interest in producing supersonic commercial aircraft, but without appropriate changes to regulation, only overseas routes can be traveled supersonically. The National Aeronautics and Space Administration (NASA) will be flying the X-59 demonstrator aircraft in a series of community tests to begin in the 2024 fiscal year. In this presentation we provide some historical context for the current prohibitions on supersonic commercial flight. Using data collected during earlier NASA risk reduction tests, we demonstrate how generalized linear mixed models can be used to inform the functional dose-response response curve. Finally, we discuss some of the challenges in designing the future community studies and generalizing them to a nationally-representative dose-response curve. The study effort will be of national and international importance as the data and models prepared during the community tests will be provided to the International Civil Aviation Organization (ICAO) in order to help noise regulators determine if supersonic flight will be permitted over land once again and at what demonstrable noise levels.

Nathan B Cruze↗
DOE OSTI2023

Report of the 2021 U.S. Community Study on the Future of Particle Physics (Snowmass 2021)

In 2019, with the construction of the projects supported by the 2014 P5 process well underway or in an advanced stage of planning, the Division of Particle and Fields (DPF) of the American Physical Society (APS) began to prepare a new community study of U.S. high energy physics (HEP) for the decade of 2025 – 2035, and beyond. This “Snowmass 2021” HEP Community Planning Exercise began formally with a kick-off meeting at the 2020 APS April Meeting and a Community-wide Planning Meeting in October of 2020. The exercise was to conclude in July of 2021 with a workshop in Seattle hosted by the University of Washington. The COVID-19 pandemic severely disrupted these plans. Work was paused from January to September of 2021 to lighten the burden on our younger scientists. We resumed work by September of 2021 and, despite the continuing challenges of COVID-19, our community was well prepared for the Seattle meeting, which had been rescheduled for July 17–26, 2022.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2008

Precision Measurement of Black Hole Binary Dynamics: Analyzing the LISA Data Stream

One of the richest potential sources of insight into fundamental physics that LISA will be capable of observing is the inspiral of supermassive black hole binaries (BHBs). However, the data analysis challenge presented by the LISA data stream is quite unlike the situation for present day gravitational wave detectors. In order to make the precision measurements necessary to achieve LISA's science goals, the BHB signal must be distinguished from a data stream that not only contains instrumental noise, but potentially thousands of other signals as well, so that the "background" we wish to separate out to focus on the BHB signal is likely to be highly nonstationary and nongaussian, as well as being of scientific interest in its own right. In addition, whereas the theoretical templates that we calculate in order to ultimately estimate the parameters can afford to be somewhat inaccurate and still be effective for present day and near future detectors, this is not the case for LISA, and extremely high fidelity of the theoretical templates for high signal-to-noise signals will be required to prevent theoretical errors from dominating the parameter estimates. NVe, will describe efforts in the community of LISA data analysts to address the challenges regarding the specific issue of BHB signals. These efforts include using a Markov Chain Monte Carlo approach with the freedom to model the BHB and the other signals present in the data stream simultaneously, rather than trying to remove other signals and risk biasing the remaining data. The Mock LISA Data Challenge is a community of LISA scientists who generate rounds of simulated LISA noise with increasingly difficult signal content, and invite the LISA data analysis community to exercise their methods, or develop new methods, in an attempt to extract the parameters for the signals embedded in the mock data. In addition to practical approaches such ,is this to assess the level of parameter accuracy, one can apply the Fisher matrix formalism to assess both the statistical errors from noise and the theoretical errors

McWilliams, Sean T.↗
DOE OSTI2023

Sandia Mechanics Challenge 2023 Information Packet: Structure with a Threaded Fastener Joint

The Sandia Mechanics Challenge (SMC) provides the solid-mechanics community a forum for assessing its ability to predict mechanical behavior in structures and materials through a blind, round-robin format. Computationalists are asked to predict the behavior of an unfamiliar geometry given experimental calibration data, their predictions are compared to experimental measurements of the SMC scenario, and then the participants assess and compare their approaches, documenting their findings. The SMC broadens the scope of Sandia-hosted benchmarking problems that previously focused on ductile failure through the Sandia Fracture Challenges, enabling an enduring, community-wide self-assessment of predictive capabilities for a variety of mechanics topics. The SMC is part of the Structural Reliability Partnership, which offers other benchmarking challenges hosted by several participating institutions.

42 ENGINEERING↗
DOE OSTI2025

Cyanobacteria and Chloroflexota cooperate to structure light-responsive biofilms

Microbial mats are stratified communities often dominated by unicellular and filamentous phototrophs within an exopolymer matrix. It is challenging to quantify the dynamic responses of community members in situ as they experience steep gradients and rapid fluctuations of light. To address this, we developed a binary consortium using two representative isolates from hot spring mats: the unicellular oxygenic phototrophic cyanobacterium Synechococcus OS-B′ (Syn OS-B′) and the filamentous anoxygenic phototroph Chloroflexus MS-CIW-1 (Chfl MS-1). We quantified the motility of individual cells and entire colonies and demonstrated that Chfl MS-1 formed bundles of filaments that moved in all directions with no directional bias to light. Syn OS-B′ was slightly less motile but exhibited positive phototaxis. This binary consortium displayed cooperative behavior by moving further than either species alone and formed ordered arrays where both species aligned with the light source. No cooperative motility was observed when a nonmotile pilB mutant of Syn OS-B′ was used instead of Syn OS-B′. The binary consortium also produced more adherent biofilm than individual species, consistent with the close interspecies association revealed by electron microscopy. We propose that cyanobacteria and Chloroflexota cooperate in forming natural microbial mats by colonizing new niches and building robust biofilms.

Functional and Systems Biology↗
DOE OSTI2024

Point-of-use filtration units as drinking water distribution system sentinels

Abstract Municipal drinking water distribution systems (DWDSs) and associated premise plumbing (PP) systems are vulnerable to proliferation of opportunistic pathogens, even when chemical disinfection residuals are present, thus presenting a public health risk. Monitoring the structure of microbial communities of drinking water is challenging because of limited continuous access to faucets, pipes, and storage tanks. We propose a scalable household sampling method, which uses spent activated carbon and reverse osmosis (RO) membrane point-of-use (POU) filters to evaluate mid- to long-term occurrence of microorganisms in PP systems that are relevant to consumer exposure. As a proof of concept, POU filter microbiomes were collected from four different locations and analyzed with 16S rRNA gene amplicon sequencing. The analyses revealed distinct microbial communities, with occasional detection of potential pathogens. The findings highlight the importance of local, and if possible, continuous monitoring within and across distribution systems. The continuous operation of POU filters offers an advantage in capturing species that may be missed by instantaneous sampling methods. We suggest that water utilities, public institutions, and regulatory agencies take advantage of end-of-life POU filters for microbial monitoring. This approach can be easily implemented to ensure drinking water safety, especially from microbes of emerging concerns; e.g., pathogenic Legionella and Mycobacterium species.

42 ENGINEERING↗
DOE OSTI2025

Active and passive cooling approaches for a Southern California residential community

This study assesses cooling strategies in a low-income community in Southern California that lacks air conditioning and struggles with heat and air pollution. We used an urban building energy model and an electric distribution system model to evaluate active and passive cooling measures. The most effective space cooling measures were high-performance air-source heat pumps, cool coatings, window films, and harnessing the space cooling effect from heat pump water heaters. The results show that combining heat pump water heaters with window films and cool coatings reduces heat index hazard hours within buildings by 95 % to 99 % but increases total energy costs (equipment costs plus changes in utility bills) by 20 % to 60 % where the higher end includes building electrical upgrades. These measures also led to increased space heater use during colder months to avoid overcooling. Replacing conventional heaters with air source heat pumps eliminated unsafe indoor temperatures and reduced total energy use, but increased cost by 125 % to 150 %. In total, using heat pumps for space and water heating could reduce primary energy use by up to 57 %. The higher cost of active and passive cooling measures can be mitigated by existing and emerging incentive programs, especially those that support heat pumps. Electric distribution upgrades to support community electrification are estimated to increase utility costs by $\$$25 to $\$$40 per ratepayer per year. The results underscore the potential and challenges of adapting building infrastructure in communities at risk from climate and environmental stressors.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRSDate not supplied

Satellite Conjunction Assessment, Risk Analysis and Collision Avoidance Best Practices: The History, Evolution and Opportunities

Since Explorer 1 was launched on January 31, 1958, the United States (U.S.) has reaped the benefits of space exploration. New markets and new technologies have spurred the economy and changed lives in many ways across the national security, civil, and commercial sectors. Space technologies and space-based capabilities now provide global communications, navigation and timing, weather forecasting, and more. Space exploration also presents challenges that impact not only the U.S. but also its allies and other partners. A significant increase in the volume and diversity of activity in space means that it is becoming increasingly congested. Emerging commercial ventures such as satellite servicing, in-space manufacturing, and tourism as well as new technologies enabling small satellites and large constellations of satellites present serious challenges for safely and responsibly using space in a stable, sustainable manner. To meet these challenges, the U.S. seeks to improve global awareness of activity in space by publicly sharing flight safety-related information and by coordinating its own on-orbit activity in a safer, more responsible manner. It seeks to bolster stability and reduce current and future operational on-orbit risks so that space is sustained for future generations. To this end, new and better Space Situational Awareness (SSA) capabilities are needed to keep pace with the increased congestion, and the U.S. seeks to create a dynamic environment that encourages and rewards commercial providers who improve these capabilities. The National Aeronautics and Space Administration (NASA) Spacecraft Conjunction Assessment and Collision Avoidance Best Practices Handbook reflects how NASA currently operates, which has evolved over time. Consideration is given to important topics such as spacecraft and constellation design; spacecraft “trackability;” pre-launch preparation and early launch activities; on-orbit collision avoidance; and automated trajectory guidance and maneuvering. This talk aims to present examples of responsible practices for spacecraft Owners/Operators (O/O) to consider for lowering collision risks and operating safely in space (from LEO and beyond) in a stable and sustainable manner. As technology and innovation continues to improve upon existing capabilities, what kind of new challenges are presented in the SSA community? Can space exploration and commercial ventures thrive while keeping paramount the safety and protection of the space environment? What are the challenges and opportunities that need to be addressed and considered for space situational awareness in Cis-Lunar Space? It may prove useful for entities offering, or intending to offer, SSA or Conjunction Assessment (CA) services to consider such examples of responsible practices to protect the space environment for future use by all.

Collision Avoidance↗
NASA NTRS2024

Effects of Water Limitation and Competition on Tree Carbon Allocation in an Earth System Modeling Framework

Earth system models (ESMs) have a limited capacity to represent plant functional diversity and shifts in trait distributions. Approaches to improving the representation of this complexity in ESMs include (i) optimality-based approaches that predict trait–environment responses and (ii) explicitly modelling coexistence and community assembly. These approaches are expected to converge only when optimality-based approaches identify competitively dominant strategies, which often differ from strategies that maximize ecosystem functioning or fitness components in monoculture. We used two models, LM3-PPA (a vegetation demographic model designed as an ESM component) and BiomeE (a computationally efficient analog for LM3-PPA), to explore how water limitation affects carbon allocation strategies of canopy trees. We compared competitive allocation strategies and those that maximize biomass or productivity in monoculture. We did not explicitly model coexistence or community assembly. Rather, we used model experiments to identify competitive and maximizing strategies in a two-dimensional trait space under different precipitation and mortality scenarios. At 10 eastern US locations, we simulated historical, wet and dry climate scenarios, novel drought and three different mortality scenarios (low, medium or high sensitivity to water deficit). For each site and scenario, we identified the competitive strategy and three maximizing strategies (maximum biomass, productivity or drought-tolerance). Root: leaf ratios tended to increase and leaf area tended to decrease with increasing water stress (increasing water limitation and its effects on mortality). However, relative to maximizing strategies, competitive strategies shifted towards greater allocation to roots and leaves with increasing water stress. Competitive overinvestments (greater allocation to roots and leaves by competitive strategies compared with maximizing strategies) were robust across different modelling contexts, including vegetation parameter sets (Acer vs. Populus), models (LM3-PPA vs. BiomeE) and uncalibrated vs. calibrated BiomeE versions. Synthesis: The theoretical prediction that competitive and maximizing allocation strategies differ under water limitation is confirmed for a demographic model designed as an ESM component. Optimality-based trait predictions can simplify representing trait diversity in ESMs but do not always correspond to competitive outcomes. Explicitly modelling coexistence and community assembly in ESMs is challenging but is likely the most general approach to representing trait diversity.

vegetation demographic model↗
NASA NTRS2016

Decision Analysis Methods Used to Make Appropriate Investments in Human Exploration Capabilities and Technologies

NASA is transforming human spaceflight. The Agency is shifting from an exploration-based program with human activities in low Earth orbit (LEO) and targeted robotic missions in deep space to a more sustainable and integrated pioneering approach. Through pioneering, NASA seeks to address national goals to develop the capacity for people to work, learn, operate, live, and thrive safely beyond Earth for extended periods of time. However, pioneering space involves daunting technical challenges of transportation, maintaining health, and enabling crew productivity for long durations in remote, hostile, and alien environments. Prudent investments in capability and technology developments, based on mission need, are critical for enabling a campaign of human exploration missions. There are a wide variety of capabilities and technologies that could enable these missions, so it is a major challenge for NASA's Human Exploration and Operations Mission Directorate (HEOMD) to make knowledgeable portfolio decisions. It is critical for this pioneering initiative that these investment decisions are informed with a prioritization process that is robust and defensible. It is NASA's role to invest in targeted technologies and capabilities that would enable exploration missions even though specific requirements have not been identified. To inform these investments decisions, NASA's HEOMD has supported a variety of analysis activities that prioritize capabilities and technologies. These activities are often based on input from subject matter experts within the NASA community who understand the technical challenges of enabling human exploration missions. This paper will review a variety of processes and methods that NASA has used to prioritize and rank capabilities and technologies applicable to human space exploration. The paper will show the similarities in the various processes and showcase instances were customer specified priorities force modifications to the process. Specifically, this paper will describe the processes that the NASA Langley Research Center (LaRC) Technology Assessment and Integration Team (TAIT) has used for several years and how those processes have been customized to meet customer needs while staying robust and defensible. This paper will show how HEOMD uses these analyses results to assist with making informed portfolio investment decisions. The paper will also highlight which human exploration capabilities and technologies typically rank high regardless of the specific design reference mission. The paper will conclude by describing future capability and technology ranking activities that will continue o leverage subject matter experts (SME) input while also incorporating more model-based analysis.

Williams-Byrd, Julie↗
NASA NTRSDate not supplied

Statistical Engineering Toward Commercial Supersonic Flight: NASA's Quesst Mission

NASA’s Quesst Mission has dual goals of demonstrating low-noise supersonic technology in flight and surveying public reactions to low-noise supersonic overflight. For half a century, commercial aircraft have been required to fly slower than the speed of sound over land to prevent “creating an unacceptable situation” on the ground due to sonic booms. However, aircraft shaping techniques honed through decades of research have dramatically changed the way shockwaves from supersonic flight merge together as they travel to the ground. What used to sound like a boom on the ground will be transformed into a thump. NASA is now building a full-scale, piloted demonstration aircraft called the X-59 to demonstrate low-noise supersonic flight. In 2024, the X-59 aircraft will commence a national series of community overflight surveys to collect data on how people perceive “sonic thumps.” The results will be provided to national and international noise regulators as they consider creating new standards that allow commercial supersonic flight over land at acceptably low noise levels. In this presentation we provide historical context for the current prohibitions on supersonic commercial flight. Using data collected during earlier NASA tests, we demonstrate how generalized linear mixed models can be used to inform the functional dose-response curve. We also illustrate simulation experiments of the variability of sonic thump exposure across the United States. Finally, we discuss some of the challenges in designing the future community studies and generalizing them to a nationally-representative dose-response curve.

Quesst↗
NASA NTRS2015

Development of NASA's Small Fission Power System for Science and Human Exploration

Exploration of our solar system has brought many exciting challenges to our nations scientific and engineering community over the past several decades. As we expand our visions to explore new, more challenging destinations, we must also expand our technology base to support these new missions. NASAs Space Technology Mission Directorate is tasked with developing these technologies for future mission infusion and continues to seek answers to many existing technology gaps. One such technology gap is related to compact power systems (1 kWe) that provide abundant power for several years where solar energy is unavailable or inadequate. Below 1 kWe, Radioisotope Power Systems have been the workhorse for NASA and will continue to be used for lower power applications similar to the successful missions of Voyager, Ulysses, New Horizons, Cassini, and Curiosity. Above 1 kWe, fission power systems become an attractive technology offering a scalable modular design of the reactor, shield, power conversion, and heat transport subsystems. Near term emphasis has been placed in the 1-10kWe range that lies outside realistic radioisotope power levels and fills a promising technology gap capable of enabling both science and human exploration missions. History has shown that development of space reactors is technically, politically, and financially challenging and requires a new approach to their design and development. A small team of NASA and DOE experts are providing a solution to these enabling FPS technologies starting with the lowest power and most cost effective reactor series named Kilopower that is scalable from approximately 1-10 kWe.

Heat Transfer↗
DOE OSTI2022

Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

mzPeak: Designing a Scalable, Interoperable, and Future-Ready Mass Spectrometry Data Format

Advances in mass spectrometry (MS) instrumentation, such as higher resolution, faster scan speeds, and improved sensitivity, have significantly increased the volume and complexity of data. The growing adoption of imaging and ion mobility further amplifies these challenges across MS-based omics fields, including proteomics, metabolomics, and lipidomics. While these technologies unlock new possibilities, they also present significant challenges in data management, storage, and accessibility. Existing open formats, such as the XML-based community standards mzML and imzML, struggle to meet the demands of modern MS workflows due to their large file sizes, slow data access, and limited metadata support. Vendor-specific formats, while optimized for proprietary instruments, lack interoperability, comprehensive metadata support and long-term archival reliability. This white paper lays the groundwork for mzPeak, a next-generation community data format designed to address these challenges and support high-throughput, multi-dimensional MS workflows. By adopting a hybrid model that combines efficient binary storage for numerical data and both human and machine-readable metadata storage, mzPeak will reduce file sizes, accelerate data access, and offer a scalable, adaptable solution for evolving MS technologies. For researchers, mzPeak will enable enhanced interoperability across platforms, seamless support for complex workflows including ion mobility and MS imaging, and faster data access compared to existing community formats such as mzML. Its design will ensure data is managed in compliance with regulatory standards, essential for applications such as precision medicine and chemical safety, where long-term data integrity and accessibility are critical. For vendors, mzPeak provides a streamlined, open alternative to proprietary formats, reducing the burden of regulatory compliance while aligning with the industry's push for transparency and standardization. By offering a high-performance, interoperable solution, mzPeak positions vendors to meet customer demands for sustainable data management tools which will be able to handle emerging and future data types and workflows. mzPeak aspires to become the cornerstone of MS data management, empowering researchers, vendors, and developers to innovate and collaborate more effectively.

data formats↗