Characterizing Approximation Methods for Digital Twins in Scientific Computing.
Abstract not provided.
Morrow, Zachary↗
SEARCH · Engineering Papers
Results for “Scientific method”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Techniques for conducting scientific research and applications studies from an orbiting space shuttle
Scientific research methods and applications experiments from orbiting Space Shuttle, noting environmental control and life support provision
Nein, M. E.↗
Comparative evolution of the inverse problems (Introduction to an interdisciplinary study of the inverse problems)
The progressive realization of the consequences of nonuniqueness imply an evolution of both the methods and the centers of interest in inverse problems. This evolution is schematically described together with the various mathematical methods used. A comparative description is given of inverse methods in scientific research, with examples taken from mathematics, quantum and classical physics, seismology, transport theory, radiative transfer, electromagnetic scattering, electrocardiology, etc. It is hoped that this paper will pave the way for an interdisciplinary study of inverse problems.
Sabatier, P. C.↗
Development of thermal control methods for specialized components and scientific instruments at very low temperatures (follow-on)
Many payloads currently proposed to be flown by the space shuttle system require long-duration cooling in the 3 to 200 K temperature range. Common requirements also exist for certain DOD payloads. Parametric design and optimization studies are reported for multistage and diode heat pipe radiator systems designed to operate in this temperature range. Also optimized are ground test systems for two long-life passive thermal control concepts operating under specified space environmental conditions. The ground test systems evaluated are ultimately intended to evolve into flight test qualification prototypes for early shuttle flights.
Wright, J. P.↗
International Halley watch amateur observers' manual for scientific comet studies. Part 1: Methods
The International Halley Watch is described as well as comets and observing techniques. Information on periodic Comet Halley's apparition for its 1986 perihelion passage is provided. Instructions are given for observation projects valuable to the International Halley Watch in six areas of study: (1) visual observations; (2) photography; (3) astrometry; (4) spectroscopic observations; (5) photoelectric photometry; and (6) meteor observations.
Edberg, S. J.↗
Observing the earth radiation budget from satellites - Past, present, and a look to the future
Satellite measurements of the radiative exchange between the planet earth and space have been the objective of many experiments since the beginning of the space age in the late 1950's. The on-going mission of the Earth Radiation Budget (ERB) experiments has been and will be to consider flight hardware, data handling and scientific analysis methods in a single design strategy. Research and development on observational data has produced an analysis model of errors associated with ERB measurement systems on polar satellites. Results show that the variability of reflected solar radiation from changing meteorology dominates measurement uncertainties. As an application, model calculations demonstrate that measurement requirements for the verification of climate models may be satisfied with observations from one polar satellite, provided there is information on diurnal variations of the radiation budget from the ERBE mission.
House, F. B.↗
NASA Ames Fatigue Countermeasures Laboratory and AA FRMS - A Working Relationship
American Airlines and NASA Ames Research Center have a long-standing partnership to conduct human factors fatigue research in airline operations. Since 2016, using a mechanism known as a Space Act Agreement, NASA Ames’ Fatigue Countermeasures Laboratory has worked with the American’s Fatigue Risk Management team to gather sleep and alertness data from volunteer flight crew members. Operations studied include long-range transpacific flights, timing of inflight rest breaks during augmented flights, and rates of acclimation related to flights making theater changes. This mutually beneficial collaborative working arrangement allows American to conduct operations of specific interest under the FAA’s Alternative Means of Compliance process and provides NASA with a means to gather and analyze data that can be used to inform operational safety-related decisions. Earlier this year, results from the study of inflight rest breaks was published in the journal Aerospace Medicine and Human Performance. A total of 500 American pilots responded to a survey with landing crew reporting more and better-quality sleep during break 2 than break 3. Subsequent ratings of sleepiness and alertness at TOD were significantly better for crew who used break 2. Findings from this study were reported to the FAA leading to an inflight fatigue mitigation capability for many pilots in the industry. An upcoming study is to evaluate workload and alertness levels during Caribbean Turn (DFW-SJO-DFW) operations. For this study, the FRMS team and NASA will ask volunteers to collect data on sleep, workload, performance, and alertness using scientifically valid methods The information gained in this study will help inform how workload and fatigue interact with duty duration during short-haul, daytime operations.
in-flight rest↗
Power Operations of the Mars Exploration Rovers
The rovers of the National Aeronautics and Space Administration’s (NASA) Mars Exploration Rovers (MER) project, Spirit (MER-A) and Opportunity (MER-B), safely landed on the surface of Mars three weeks apart during January 2004. Spirit and Opportunity were built and operated by the Jet Propulsion Laboratory (JPL), which is managed by the California Institute of Technology (Caltech) for NASA. Spirit landed at Gusev Crater, 14.8 degrees south of the equator, and operated continuously on the surface of Mars from January 4, 2004 until last contact from Spirit on March 22, 2010. Opportunity landed at Meridiani Planum, a location 2.5 degrees south of the Martian equator. Opportunity operated continuously on the Martian surface from January 25, 2004 until the last received transmission from Opportunity on June 10, 2018. The goal of the MER project was to determine if Mars ever had a habitable environment, in particular, if it ever had water. During their missions, both Spirit and Opportunity found evidence that liquid water once flowed on the surface of Mars. Both Spirit and Opportunity used a 1.33 m2 triple-junction solar array as their power sources. Based on observations of the original Mars rover, the Sojourner rover of the Mars Pathfinder mission that landed on Mars on July 4, 1997, the expectation was that the Martian dust would rapidly accumulate on the solar arrays of Spirit and Opportunity, and that the rovers would not have enough energy to continue operations after 90 Martian days (sols). Instead, due in part to lower dust accumulation rates than expected and numerous dust cleaning events, the Spirit and Opportunity rovers continued to operate on the Martian surface for over 2000 sols (MER-A) and 5000 sols (MER-B), respectively. During this time, the rovers experienced multiple Martian winters and several dust storms. Because the sources of solar array energy loss were known, the solar array energy output offered a method to scientifically estimate the loading and aeolian removal of dust from the solar arrays each sol. The MER Power operations team called this value that they calculated the solar array Dust Factor (DF). Dust Factor was defined as the fraction of sunlight that penetrates the accumulated dust on the surface of the solar array. A Dust Factor of 1.0 would indicate that the solar array was perfectly clean. A Dust Factor of 0.6 would indicate that only 60% of the available sunlight was able to penetrate the accumulated dust on the solar arrays. The MER Power subsystem operations team used the Multi-Mission Power Analysis Tool (MMPAT) to perform these Dust Factor calculations. The MMPAT software tool modeled the behavior of the solar arrays and the batteries as they interacted with the spacecraft power loads over the mission timeline. MMPAT also had knowledge (through telemetry and user inputs) of telemetered Power subsystem voltages and currents, atmospheric opacity (Tau), rover surface location, rover attitude, the planetary tilt and distance of Mars from the sun based on day of year, the instantaneous elevation of the sun based on time of day, temperatures (internal and external), terrain masking, and shadowing (due to the camera mast and antennas). Once all of the known sources of array energy loss are accounted, the remaining difference between the expected array energy and the actual array energy determines the solar array Dust Factor. The assumptions made while determining the Dust Factor are 1) that the single measured atmospheric opacity value (Tau) is constant over the course of the entire sol, 2) there is no measurable solar cell degradation, 3) there are no shorted strings and therefore, 4) all unexpected solar array energy losses are due to accumulated dust on the solar array. Although it cannot provide an absolute measure of dust loading, the determination of solar array Dust Factor provides a useful way of tracking dust accumulation and aeolian dust removal trends on Martian spacecraft. Any spacecraft on the Martian surface is vulnerable to dust, especially solar-powered spacecraft. The Spirit and Opportunity rovers were operational on the Martian surface for much longer than expected due in part to aeolian removal of dust from their solar arrays. The first few dust removal events were a pleasant surprise to the MER operations teams; however, over time a pattern began to arise. In over three Mars Years on the surface, the Power operations team tracked the solar array Dust Factor at Gusev Crater (location of MER-A) and observed that there were several significant dust removal and deposition events in Mars Year (MY) 27, even in the absence of a large dust storm. In MY 28 at Gusev Crater, the large atmospheric opacity (Tau) increase lagged significant dust removal events. Overall at Gusev Crater, there was a pattern of steady dust accumulation on the solar arrays, with a small number of significant dust cleaning events. At Meridiani Planum, where Opportunity rover operated for over seven Mars Years (late MY 26 to mid MY 34), a clear and consistent pattern of dust movement emerged. Meridiani Planum had a predictable, seasonally dependent pattern of gradual and continuous dust accumulation and removal. In summary, this paper explains the reasons for the development of the solar array Dust Factor and how it was used in mission operations. In particular, this paper describes the MMPAT software package, how it models array energy, including the important assumptions, model inputs and sources of error. And finally, this paper will show how the calculated solar array Dust Factor was used at Gusev Crater and Meridiani Planum to predict dust accumulation rates and weather patterns, and the importance of this generated data set for current and future solar- powered missions to Mars, such as the InSight lander and the planned Mars Sample Return rover.
Chin, Keith B.↗
Formal Methods-based Certification Frameworks for Scientific Computing Applications.
Abstract not provided.
Hulette, Geoffrey↗
Digitalization mapping and assessment process supporting ION strategic transformation activities
The existing fleet of commercial nuclear power plants (NPPs) are an important asset in the nation’s portfolio of electrical generating resources. Their continued safe and reliable operation are critical to providing a large source of carbon-free electricity to power the nation’s economy. The United States Department of Energy’s (DOE) Light Water Reactor Sustainability (LWRS) Program develops the scientific bases, methods, and tools, for the continued safe and economical operation of the nation's commercial NPPs. The Plant Modernization Pathway within LWRS Program focuses on providing guidance to industry on the full-scale implementation of modernization solutions for NPPs that significantly reduce the technical and financial risks associated with modernization. This research is focused on helping the nuclear industry understand how to digitize and digitalize their NPPs so that they can design their modernization solutions to be scalable, sustainable, and integrated both laterally and horizontally within their organization. That is, this research creates a digital transformation in NPPs by reshaping cultural mindsets and by identifying business efficiencies. In partnership with industry, and using four previously established guiding principles for digitalization, this research supported NPP modernization through assessing readiness for digitalization as a means to achieve integrated operations for nuclear. Specifically, this research created an assessment to review an entire organization’s work processes to gather information about the digitalization health of the plant. The assessment tools were administered to plant employees, and the results were used to develop a digitalization plan. The survey assessment identified the optimal candidate processes that would most benefit from a digitalization initiative which were revealed through analytical frameworks. One analysis calculated mean digitalization health indicator scores for all endorsed activities which allowed the researchers to rank and color code the results for easy identification. Individual health indicator scores are also provided, should our industry partner wish to understand these findings according to their own organizational priorities, business considerations and desired end-state. The results were also analyzed from the perspective that organizations are comprised of different types of innovators (e.g., generators, optimizers, conceptualizers, and implementers), which differentially affects the organization’s ability to comprehend and adapt to change (i.e., opportunities to innovate). Understanding the relative composition of innovator types at an NPP allows them to gather insights into the strengths and weaknesses they have in innovating how work is performed. For the utility that partnered with this research team, the results showed that implementers make up the largest portion of respondents and conceptualizers the smallest portion. Knowing the proportion of innovator types gave this organization insights on how they can effectively implement their innovation solutions. Additionally, the results were analyzed from a technical, economic, and risk perspective to identify and quantify work reduction opportunities (WROs). Recognizing that not all cost-saving opportunities are the same, a Technical, Economic and Risk Assessment (TERA) was performed to evaluate WROs to identify areas of greatest potential and lowest risk. The key results from TERA included a digitalization opportunity score for each activity, and a calculation of potential cost savings. These two outputs formed the bases for calculating a priority index and rank for the activities/processes assessed. From the prioritization calculations, TERA can then help the utility 1) decide what digitalization priorities to invest money in implementing and then 2) calculates how much should be invested in the digitalization initiatives selected to achieve cost savings and/or an acceptable return on investment. Last, onsite interviews revealed several inefficiencies in the standard work processes that occur cross-departmentally that are due to the absence of digitized and digitalized processes. Examples of these include time spent scanning paper documents and then uploading the documents electronically, obtaining signatures, and searching for desired information. This represents a digital but not digitalized process. Over 15 opportunities to improve work processes were identified through this multi-method digitalization assessment. The various analytical assessments used (e.g., TERA, digitalization health indicator scores), as well as discussions with the utility partner, corroborated that all the opportunities identified had a strong potential to make work processes more efficient and to improve overall performance of the NPP.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Towards new scientific observations from GPS occultations: advances in retrieval methods
We will present recent innovations in extracting scientifically useful information from the phase and amplitude of received GPS transmissions, and discuss the technical challenges that need to be overcome to achieve new scientific results.
Schroder, Thomas↗
Methods for injection error analysis and their comparison Scientific report no. 13
Formulation of direct and adjoint methods of trajectory injection error in vector matrix notation and comparison
ERROR↗
Identifying stochastic dynamics via finite expression methods
Modeling stochastic differential equations (SDEs) is crucial for understanding complex dynamical systems in various scientific fields. Recent methods often employ neural network-based models, which typically represent SDEs through a combination of deterministic and stochastic terms. However, these models usually lack interpretability and have difficulty in generalizing beyond their training domain. Here, this paper introduces the Finite Expression Method (FEX), a symbolic learning approach designed to derive interpretable mathematical representations of the deterministic component of SDEs. For the stochastic component, we integrate FEX with advanced generative modeling techniques to provide a comprehensive representation of SDEs. The numerical experiments on linear, nonlinear, and multidimensional SDEs demonstrate that FEX generalizes well beyond the training domain and delivers more accurate long-term predictions compared to neural network-based methods. The symbolic expressions identified by FEX not only improve prediction accuracy but also offer valuable scientific insights into the underlying dynamics of the systems.
Complex dynamical systems↗
Framework for Small-Scale Experiments in Software Engineering: Guidance and Control Software Project: Software Engineering Case Study
Software is becoming increasingly significant in today's critical avionics systems. To achieve safe, reliable software, government regulatory agencies such as the Federal Aviation Administration (FAA) and the Department of Defense mandate the use of certain software development methods. However, little scientific evidence exists to show a correlation between software development methods and product quality. Given this lack of evidence, a series of experiments has been conducted to understand why and how software fails. The Guidance and Control Software (GCS) project is the latest in this series. The GCS project is a case study of the Requirements and Technical Concepts for Aviation RTCA/DO-178B guidelines, Software Considerations in Airborne Systems and Equipment Certification. All civil transport airframe and equipment vendors are expected to comply with these guidelines in building systems to be certified by the FAA for use in commercial aircraft. For the case study, two implementations of a guidance and control application were developed to comply with the DO-178B guidelines for Level A (critical) software. The development included the requirements, design, coding, verification, configuration management, and quality assurance processes. This paper discusses the details of the GCS project and presents the results of the case study.
Hayhurst, Kelly J.↗
Denoising Autoencoder for Reconstructing Sensor Observation Data and Predicting Evapotranspiration: Noisy and Missing Values Repair and Uncertainty Quantification
Abstract Machine learning (ML) methods applied in scientific research often deal with interrelated features in high‐dimensional data. Reducing data noise and redundancy is needed to increase prediction accuracy and efficiency especially when dealing with data from field sensors. We explored an unsupervised learning method, the denoising autoencoder (DAE), to extract the underlying data structure from noisy raw data in the context of predicting hydrologic quantities from multiple field sensors. These sensors have intrinsic instrumental noise and occasional malfunctions that cause missing values. Our DAE neural network reconstructed meteorological sensor data containing noise and missing values to predict evapotranspiration in a mountainous watershed. The DAE reconstructed the sensor variables with a mean coefficient of determination value of 0.77 across 15 dimensions representing individual sensors. It reduced variance and bias uncertainties compared to a classical autoencoder model. The reconstruction quality varied across dimensions depending on their cross‐correlation and alignment with the underlying data structure. Uncertainties arising from the model structure were overall higher than those resulting from data corruption. We attached the DAE structure to a downstream ET‐prediction neural network in three formats and achieved reasonably accurate ET predictions . The use of the DAE notably reduced variance uncertainty in ET prediction. However, excessive variance reduction may be accompanied by an increase in bias due to the intrinsic bias‐variance tradeoff. Our method of evaluating and reducing uncertainties in aggregated data from different sources can be used to improve predictive models, process understanding, and uncertainty quantification for better water resource management. Plain Language Summary We present a machine learning method, namely the denoising autoencoder, which reduces the effects of data noise and missing values typically present in scientific data sets collected through sensor measurements. This method selects the most relevant information from noisy raw data collected by the instruments and fills in missing values. To demonstrate the effectiveness of our method, we applied it to predict evapotranspiration, a hydrologic variable that represents the water moved from the land surface to the atmosphere through a combination of evaporation and plant water use (transpiration). We also used a random sampling technique (the Monte Carlo method) to compare the uncertainty in the predictions when using the raw and noisy data versus the reconstructed data. The denoising process produced more accurate predictions of evapotranspiration with less uncertainty. Improved predictions of evapotranspiration can lead to a better understanding and accounting of water budgets. This ML approach is broadly suitable for a wide variety of applications that involve noisy sensor data with missing values. Key Points We used a denoising autoencoder (DAE) neural network to reduce noise in meteorological and soil sensor observations by on average We used Monte Carlo sampling to estimate the bias and variance of all model outputs, including uncertainty sources from data and the model We attached the DAE component to a downstream neural network to predict ET with the variance reduced by , compared to that without the DAE
denoising autoencoder↗
Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Heterogeneous Catalyst Discovery
Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We demonstrate that hierarchical agentic large language model reasoning can efficiently drive simulation and scientific exploration. Across two chemical applications, CO adsorption on Cu surface transition metal adatoms and on M–N–C catalysts, reasoning-guided exploration reduces required atomistic simulations by up to 90% relative to heuristic or random selection. Comparisons across single-agent, multi-agent, and stochastic baselines show that hierarchical strategies yield more coherent and information-efficient search trajectories. Reasoning traces reveal chemically grounded decisions that cannot be explained by semantic bias or stochastic sampling. We realize these agentic reasoning strategies in Materials Agents for Simulation and Theory in Electronic-structure Reasoning (MASTER), a multimodal system that translates natural language into density functional theory workflows. Altogether, multi-agent collaboration accelerates heterogeneous catalyst discovery and marks a step toward more autonomous, reasoning-guided scientific exploration.
30 DIRECT ENERGY CONVERSION↗
Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research
In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.
59 BASIC BIOLOGICAL SCIENCES↗
NuGraph2 with explainability: post-hoc explanations for geometric neural network predictions
With the growing popularity of artificial intelligence (AI) used for scientific applications, the ability of attribute a result to a reasoning process from the network is in high demand for robust scientific generalizations to hold. In this work we aim to motivate the need for and demonstrate the use of post-hoc explainability methods when applied to AI methods used in scientific applications. To this end, we introduce explainability add-ons to the existing graph neural network (GNN) for neutrino tagging, NuGraph2. The explanations take the form of a suite of techniques examining the output of the network (node classifications) and the edge connections between them, and probing of the latent space using novel general-purpose tools applied to this network. We show how none of these methods are singularly sufficient to show network ‘understanding’, but together can give insights into the processes used in classification. While these methods are tested on the NuGraph2 application, they can be applied to a broad range of networks, not limited to GNNs. The code for this work is publicly available on GitHub at https://github.com/voetberg/XNuGraph.
Voetberg, Margaret [Fermilab] (ORCID:0009000527154↗