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At least 973 records · Page 54

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↗

Knowledge-based approach to system integration

To solve complex problems one can often use the decomposition principle. However, a problem is seldom decomposable into completely independent subproblems. System integration deals with problem of resolving the interdependencies and the integration of the subsolutions. A natural method of decomposition is the hierarchical one. High-level specifications are broken down into lower level specifications until they can be transformed into solutions relatively easily. By automating the hierarchical decomposition and solution generation an integrated system is obtained in which the declaration of high level specifications is enough to solve the problem. We offer a knowledge-based approach to integrate the development and building of control systems. The process modeling is supported by using graphic editors. The user selects and connects icons that represent subprocesses and might refer to prewritten programs. The graphical editor assists the user in selecting parameters for each subprocess and allows the testing of a specific configuration. Next, from the definitions created by the graphical editor, the actual control program is built. Fault-diagnosis routines are generated automatically as well. Since the user is not required to write program code and knowledge about the process is present in the development system, the user is not required to have expertise in many fields.

Blokland, W.↗

Techno-Economic Analysis and Life Cycle Assessment of the Production of Biodegradable Polyaliphatic–Polyaromatic Polyesters

Poly(butylene-adipate terephthalate) (PBAT) is a polyaliphatic–polyaromatic polyester that is biodegradable and has found application in several markets, making it a widely produced biodegradable polymer worldwide. However, the production of PBAT is carbon-intensive, as it relies on the use of petroleum-based monomers. There is, thus, significant interest in identifying polyesters that are biodegradable and less carbon-intensive (e.g., use of biomass- derived monomers). In this work, we develop a detailed process model (and an associated database) for the production of polyaliphatic–polyaromatic polyesters including petroleum-based PBAT and biomass-derived alternatives including poly(pentylene- adipate terephthalate) and poly(pentylene-adipate furandicarboxy- late). Techno-economic analysis (TEA) reveals that the production costs of these polyesters strongly depend on monomer costs (accounting for over 90% of the total production cost) and identifies market conditions under which biomass-based polyesters can be cost-competitive to petroleum-based PBAT. Life cycle assessment (LCA) shows that biomass-derived polyesters can reduce the global warming impact of PBAT by half. Altogether, the proposed TEA/LCA model aims to provide guidance into polyesters that are most promising and help assess their overall economic and environmental performance.

42 ENGINEERING↗

Laboratory and theoretical models of planetary-scale instabilities and waves

Research work is proceeding in theoretical, numerical, and experimental geophysical fluid dynamics leading up to a reflight of the GFFC (Geophysical Fluid Flow Cell Experiment) on USML-2. The work is intended not only to generate ideas for future space experiments, but to provide fundamental results concerned with nonlinear and chaotic properties of thermal convection and baroclinic waves in terrestrial and planetary atmospheres. The major efforts are focussed on thermal convection in a rapidly rotating annulus relevant to Jovian atmospheric dynamics, and on the chaotic behavior of baroclinic waves relevant to the Earth's atmosphere. The approach, in preparation for USML-2, is primarily theoretical and numerical. Mechanistic process models are solved numerically in order to identify physical mechanisms that may be observed in the GFFC, and which are important in real geophysical applications. The results from numerical simulations of geophysical fluid flow (subject to rotation and stratification) are compared with previous GFFC experiments on Spacelab-3 and with existing and proposed terrestrial laboratory experiments of various types. Pattern recognition algorithms have been employed to generate low-dimensional descriptions of the highly nonlinear and turbulent numerical simulations. Such empirically truncated descriptions provide for simplified but robust physical interpretations of the dynamics, as well as yielding highly efficient computations of these chaotic flows.

Hart, John E.↗

SIGHT: Stacked Integration of Geospatial Hierarchical Typologies for Inferring Building Characteristics

Building characteristics are often absent in building stock datasets, particularly in regions most vulnerable to climate change and requiring effective disaster management strategies. Traditional machine learning approaches, while widely used to predict building attributes, typically neglect the spatial context of the data, leading to less accurate and reliable outcomes. To address these challenges, this paper introduces a novel algorithm, the Stacked Integration of Geospatial Hierarchical Typologies. This algorithm adapts a meta-learning framework to incorporate geospatial context into the predictive modeling process. We demonstrate the utility of the algorithm through two primary use cases: building use type classification and building height prediction. The algorithm consistently achieved or exceeded a 0.94 macro average F1 score across five geographically distinct countries for building use type classification. For building height prediction, it accurately predicted heights with a root mean square error of 3.01 in a comprehensive study using roughly 3.6 million buildings in Japan. These results underscore the benefits of integrating spatial hierarchies into machine learning models, enhancing both predictive accuracy and reliability in geospatial modeling. This work introduces a new algorithm to address the pervasive data sparsity issue in existing building stock datasets.

Adams, Daniel [ORNL] (ORCID:0000000196950577)↗

Essay: A Path for the Construction of a Muon Collider

Muons are elementary particles and provide cleaner collision events that can explore higher energies compared to composite particles like protons. Muons are also far heavier than their electron cousins, meaning that they emit less synchrotron radiation that effectively limits the energies of circular electron-positron colliders. These characteristics open up the possibility for a muon collider to surpass the direct energy reach of the Large Hadron Collider while achieving unprecedented precision measurements of standard model processes. In this Essay, after briefly summarizing the progress achieved so far, I identify important missing research and development steps and envision a compelling plan to bring a muon collider to reality in the next two decades. A muon collider could allow for the exploration of physics that is not available with current technologies. For example, it may provide a way to study the Higgs boson directly or probe new particles, including those related to dark matter or other phenomena beyond the standard model. . Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Phase-field model of precipitation processes with coherency loss

A phase-field model is proposed to simulate coherency loss coupled with microstructure evolution. A special field variable is employed to describe the degree of coherency loss of each particle and its evolution is governed by a Ginzburg-Landau type kinetic equation. For the sake of computational efficiency, a flood-fill algorithm is introduced that can drastically reduce the required number of field variables, which allows the model to efficiently simulate a large number of particles sufficient for characterizing their statistical features during Ostwald ripening. The model can incorporate size dependence of coherency loss, metastability of coherent particles, and effectively incorporate the underlying mechanisms of coherency loss by introducing a so-called differential energy criterion. The model is applied to simulate coarsening of Al 3 Sc precipitates in aluminum alloy and comprehensively compared with experiments. Our results clearly show how the particle size distribution is changed during coherency loss and affects the coarsening rate.

36 MATERIALS SCIENCE↗

The ATAMM procedure model for concurrent processing of large grained control and signal processing algorithms

An overview is presented of a model for describing data and control flow associated with the execution of large-grained, decision-free algorithms in a special distributed computer environment. The ATAMM (Algorithm-To-Architecture Mapping Model) model provides a basis for relating an algorithm to its execution in a dataflow multicomputer environment. The ATAMM model features a marked graph Petri net description of the algorithm behavior with regard to both data and control flow. The model provides an analytical basis for calculating performance bounds on throughput characteristics which are demonstrated here.

Stoughton, John W.↗

Distributed Visualization Project

Distributed Visualization allows anyone, anywhere to see any simulation at any time. Development focuses on algorithms, software, data formats, data systems and processes to enable sharing simulation-based information across temporal and spatial boundaries without requiring stakeholders to possess highly-specialized and very expensive display systems. It also introduces abstraction between the native and shared data, which allows teams to share results without giving away proprietary or sensitive data. The initial implementation of this capability is the Distributed Observer Network (DON) version 3.1. DON 3.1 is available for public release in the NASA Software Store (https://software.nasa.gov/software/KSC-13775) and works with version 3.0 of the Model Process Control specification (an XML Simulation Data Representation and Communication Language) to display complex graphical information and associated Meta-Data.

Tech Port↗

Predicting Airport Runway Configurations for Decision-Support Using Supervised Learning

One of the most challenging tasks for air traffic controllers is runway configuration management (RCM). It deals with the optimal selection of runways to operate on (for arrivals and departures) based on traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. It affects the efficiency of the National Airspace System (NAS) and both surface and airspace operations can benefit from better understanding future runway configurations. In this paper, we present a comprehensive implementation of predictive models for runway configuration estimation from large volumes of historical data. Specifically, operational data from two full years (2018 and 2019) is collected, analyzed, and fused together to build the data product used in this work. The data set differs from prior work in the field in terms of its scope, resolution, and variety of factors collected and considered. Meteorological data is collected from two different sources – current weather conditions from METAR (Meteorological Terminal Aviation Routine Weather Report) and forecast weather conditions from Localized Aviation MOS Program (LAMP). Operational data from the Federal Aviation Administration (FAA) Aviation System Performance Metrics (ASPM) related to scheduled and actual number of arrivals and departures, average taxi times, etc. are collected. NASA’s Sherlock Data Warehouse is used to identify critical information such as go-arounds, and other events that might impact RCM decision-making. All data is collected and aggregated over 15-minute intervals throughout the two years. This provides a resolution like the timescales that might be necessary for runway configuration management decision-making. A variety of supervised learning algorithms are tested including Support Vector Machine, Random Forest, Gradient Boosting, etc. including tuning of the model hyperparameters. The modeling process is applied and presented on two representative U.S. airports – Charlotte Douglas International Airport (KCLT) and Denver International Airport (KDEN). The two airports present different levels of complexity in terms of the total number of configurations used and provide a balanced perspective on the generalizability of the developed approach to other airports in the NAS. Initial results are promising (F1 score of 0.91 at KCLT and 0.83 at KDEN) for data in the test set. The final paper will contain a comprehensive comparison between different models and model building strategies as well as further refined results. Most important predictors for each airport will be identified along with a discussion and recommendations on adapting the framework to other scenarios.

Tejas G Puranik↗

Characterizing soil water content variability across spatial scales from optimized high-resolution distributed temperature sensing technique

Fiber-optic Distributed Temperature Sensing, when combined with the Single-probe Heat-pulse technique can measure soil moisture (θ) across spatial scales. The key limitation of this system is in obtaining the relationship between soil thermal conductivity (λ) and θ for a specific field. Using the Department of Energy Atmospheric Radiation Measurement (ARM) site, this study tested a new methodology to account for the spatial variability in the λ-θ relationship using a Gaussian processes model. The resulting accurate θ measurements (RMSE = 0.03 m 3 m –3 ) were used to characterize the spatial variability of θ across scales and to develop an empirical equation that can correct for the changes in the θ spatial variability observed at different spatial resolutions. In addition, the number of required samples to accurately characterize θ and its variability over scales ranging from 5 m and 350 m were estimated. Finally, these findings provide key information to scale soil moisture from centimeters to hundreds of meters for process understanding.

54 ENVIRONMENTAL SCIENCES↗

Mixed-Integer Linear Programming Formulation with Embedded Machine Learning Surrogates for the Design of Chemical Process Families

In previous work, we introduced process family design. The main idea is to design a platform of common elements, and, allowing us to capture additional cost savings, simultaneously design a family of processes, and reducing both engineering and deployment timelines. We formulate this as an optimization problem, specifically a nonlinear generalized disjunctive program (GDP). We have proposed two approaches for reformulating and solving this problem: one based on full-discretization of the design space and one that uses Machine Learning (ML) surrogates to replace the nonlinear process models. Using ML surrogates to predict required system costs and performance indicators allows us to reformulate the nonlinearities in the GDP generate an efficient MILP formulation. In this work, we apply the ML surrogate approach to two case studies. One case study involves designing a family of carbon capture systems to cover a set of different flue gas flow rates and inlet CO 2 concentrations, where we consider the absorber and stripper as common unit module types. The second case study focuses on a water-desalination process, where we design a family of these processes for a variety of salt concentrations and flow rates. In both of these case studies, we demonstrate a scalable optimization approach that enables the design of multiple processes simultaneously, reducing the time-to-market and overall costs by maximizing the cost savings due to both economies of scale and economies of numbers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deep Learning Methods for Symbolic Calculations in HEP

This project develops machine learning methods to accelerate symbolic calculations in high-energy physics. Using sequence-to-sequence transformer models, we construct frameworks to predict squared amplitudes and related quantities for Standard Model processes, including quantum electrodynamics, quantum chromodynamics, and electroweak interactions. The results demonstrate that deep learning can successfully learn complex symbolic relationships and provide a scalable approach to symbolic computation with potential applications in precision calculations and collider phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Jovian aurora: Electron or ion precipitation

High signal-to-noise spectra of the Jovian aurora at UV wavelengths obtained using the International Ultraviolet Explorer Observatory (including the brightest Jovian aurora observed to date) set strigent upper limits for sulfur and oxygen emissions, which would be associated with the precipitation of energetic heavy ions in the upper Jovian atmosphere if they were solely responsible for Jovian auroral processes. Model calculations of heavy ion precipitation and corresponding estimates of the associated sulfur and oxygen UV emissions previously carried out suggest emission values for 1304 A OI emission that are at least 30 times larger than the upper limit values set by the IUE observations reported. On the other hand the observed (feature of SII at 1256 A of 2 kR) is quite comparable to the theoretically predicted emission intensity. Taken together these observations and calculations suggest that electron as well as ion precipitation play a role in Jovian auroral processes. In light of earlier X-ray observations and in-situ plasma observations that suggest energetic heavy ion precipitation in the Jovian auroral zone, a scenario is suggested where heavy ion auroral energy deposition is concentrated at altitudes below the homopause. Electrons with energies of 10 to 30 keV are responsible for the bulk of the observable UV and EUV emissions since they deposit their energy above the methane absorbing layer defined by the homopause.

Waite, J. H., Jr.↗

Forward Modeling of Atmospheric Carbon Dioxide in GEOS-5: Uncertainties Related to Surface Fluxes and Sub-Grid Transport

Forward GEOS-5 AGCM simulations of CO2, with transport constrained by analyzed meteorology for 2009-2010, are examined. The CO2 distributions are evaluated using AIRS upper tropospheric CO2 and ACOS-GOSAT total column CO2 observations. Different combinations of surface C02 fluxes are used to generate ensembles of runs that span some uncertainty in surface emissions and uptake. The fluxes are specified in GEOS-5 from different inventories (fossil and biofuel), different data-constrained estimates of land biological emissions, and different data-constrained ocean-biology estimates. One set of fluxes is based on the established "Transcom" database and others are constructed using contemporary satellite observations to constrain land and ocean process models. Likewise, different approximations to sub-grid transport are employed, to construct an ensemble of CO2 distributions related to transport variability. This work is part of NASA's "Carbon Monitoring System Flux Pilot Project,"

Pawson, Steven↗

Simulation of 12-bed vacuum pressure-swing adsorption for hydrogen separation from methanol-steam reforming off-gas

This study focuses on analysis of a 12-bed vacuum pressure-swing adsorption (VPSA) process capable of purifying hydrogen from a ternary mixture (H 2 /CO 2 /CO 75/24/1 mol%) derived from methanol-steam reforming. The process produces 9 kmol H 2 /h with less than 2 ppm and 0.2 ppm of CO2 and CO, respectively, to supply a polymer electrolyte membrane fuel cell. The process model is developed in Aspen Adsorption® using the “uni-bed” approach. A parametric study of H 2 purity and recovery with respect to adsorption pressure, adsorbent height, activated carbon:zeolite ratio, feed composition, and number of beds is performed. Results show 12-bed VPSA can meet the H 2 purity goals, with H 2 recovery as high as 75.75%. Adsorption occurs at 7 bar, the column height is 1.2 m, and the adsorbent ratio is 70%:30%. Furthermore, a 4-bed VPSA can achieve the same purity goals as the 12-bed process, but H 2 recovery decreases to 61.34%.

03 NATURAL GAS↗

Fully Bayesian Analysis With Model Inadequacy Correction For Nuclear Graphite Property Models With Hierarchical Variance Structure

Nuclear-grade graphites are extensively utilized in the core designs of various advanced nuclear reactors. Within the reactor environment, graphite is subjected to prolonged exposure to extreme conditions, including high temperatures, radiation, and potentially molten salt and oxygen. Such exposure can induce several degradation mechanisms in graphite, such as nonuniform volumetric strains caused by irradiation and thermal expansion, leading to stresses that may compromise the performance of graphite components. Assessing component integrity, forecasting component performance over the reactor's lifespan, and developing design standards necessitate robust tools for predicting fracture initiation and propagation in graphite structural components within nuclear reactors. This code enables the Bayesian calibration of properties for nuclear-grade graphites. Using a hierarchical Bayesian approach, multiple experimental data sources are combined to develop Gaussian process models for the properties. Using the Kennedy O'Hagan framework, the uncertainties due inadequacies in the model and the inherent spread in the experimental data are quantified.

Dhulipala, Som Lakshmi NarasimhaLakshmi Narasimha ↗

Estimating Long Term Surface Soil Moisture in the GCIP Area From Satellite Microwave Observations

Soil moisture is an important component of the water and energy balances of the Earth's surface. Furthermore, it has been identified as a parameter of significant potential for improving the accuracy of large-scale land surface-atmosphere interaction models. However, accurate estimates of surface soil moisture are often difficult to make, especially at large spatial scales. Soil moisture is a highly variable land surface parameter, and while point measurements are usually accurate, they are representative only of the immediate site which was sampled. Simple averaging of point values to obtain spatial means often leads to substantial errors. Since remotely sensed observations are already a spatially averaged or areally integrated value, they are ideally suited for measuring land surface parameters, and as such, are a logical input to regional or larger scale land process models. A nine-year database of surface soil moisture is being developed for the Central United States from satellite microwave observations. This region forms much of the GCIP study area, and contains most of the Mississippi, Rio Grande, and Red River drainages. Daytime and nighttime microwave brightness temperatures were observed at a frequency of 6.6 GHz, by the Scanning Multichannel Microwave Radiometer (SMMR), onboard the Nimbus 7 satellite. The life of the SMMR instrument spanned from Nov. 1978 to Aug. 1987. At 6.6 GHz, the instrument provided a spatial resolution of approximately 150 km, and an orbital frequency over any pixel-sized area of about 2 daytime and 2 nighttime passes per week. Ground measurements of surface soil moisture from various locations throughout the study area are used to calibrate the microwave observations. Because ground measurements are usually only single point values, and since the time of satellite coverage does not always coincide with the ground measurements, the soil moisture data were used to calibrate a regional water balance for the top 1, 5, and 10 cm surface layers in order to interpolate daily surface moisture values. Such a climate-based approach is often more appropriate for estimating large-area spatially averaged soil moisture because meteorological data are generally more spatially representative than isolated point measurements of soil moisture. Vegetation radiative transfer characteristics, such as the canopy transmissivity, were estimated from vegetation indices such as the Normalized Difference Vegetation Index (NDVI) and the 37 GHz Microwave Polarization Difference Index (MPDI). Passive microwave remote sensing presents the greatest potential for providing regular spatially representative estimates of surface soil moisture at global scales. Real time estimates should improve weather and climate modelling efforts, while the development of historical data sets will provide necessary information for simulation and validation of long-term climate and global change studies.

Owe, Manfred↗