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DOE OSTI2020

Molar Absorptivities of U(VI), U(IV), and Pu(III) in Nitric Acid Solutions of Various Concentrations Relevant to Developing Nuclear Fuel Recycling Flowsheets

Testing of a co-decontamination (CoDCon) tributyl phosphate (TBP) based solvent extraction flowsheet is being performed to optimize conditions for achieving a target U/Pu ratio in the Pu-containing product. The flowsheet is designed to directly produce a mixture of U and Pu with a U/Pu mass ratio of 7/3. The system is monitored in real time using optical spectroscopy, which allows for control of the U/Pu ratio in the aqueous U/Pu nitrate product. On-line spectrophotometric monitoring of the aqueous stream at the reductive stripping step involves determination of U(VI), U(IV) and Pu(III) concentrations and relies on molar absorptivities of these species in nitric acid at a number of wavelengths corresponding to their peaks’ maxima. The magnitudes of these molar absorptivities are a sensitive function of nitric acid concentration and have to be determined as precisely as possible using an off-line spectrophotometry under well controlled conditions. This step (called training set acquisition) is typically performed not in a high contamination area of radiological glovebox where flow-through cells and other on-line equipment are installed but in a less aggressive environment of a radiological fume hood with much better control of stock solutions quality, dilution factors, optical absorbance scale calibration, etc. This is followed by the calibration transfer between the off-line instrument and the instrument deployed during extraction and stripping runs. This paper reports values of molar absorptivities of U(VI), U(IV), and Pu(III) in nitric acid solution of 0.5 M to 4 M concentration and compares them with available technical literature data. Results of off-line spectrophotometric analysis of selected aqueous grab samples from one of CoDCon runs show satisfactory agreement with total uranium and plutonium concentrations determined in the same samples by ICP-MS.

Sinkov, Sergey I.↗

DOE OSTI2026

An interactive machine learning platform for analyzing multi-particle coincidence data from cold target recoil ion momentum spectroscopy

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum Spectroscopy (COLTRIMS) experiments. The software addresses critical challenges in modern momentum spectroscopy by integrating advanced machine learning techniques with physics-informed analysis in an interactive web-based environment. SCULPT implements uniform manifold approximation and projection for non-linear dimensionality reduction to reveal correlations in high-dimensional data. We also discuss potential extensions to deep autoencoders for feature learning and genetic programming for automated discovery of physically meaningful observables. A novel adaptive confidence scoring system provides quantitative reliability assessments by evaluating user-selected clustering quality metrics with predefined weights that reflect each metric’s robustness. The platform features configurable molecular profiles for different experimental systems, interactive visualization with selection tools, and comprehensive data filtering capabilities. Utilizing a subset of SCULPT’s capabilities, we analyze photo-double-ionization data measured using the COLTRIMS method for three-body dissociation of the D 2 O molecule, revealing distinct fragmentation channels and their correlations with physics parameters. The software’s modular architecture and web-based implementation make it accessible to the broader atomic and molecular physics community, significantly reducing the time required for complex multi-dimensional analyses. This opens the door to finding and isolating rare events exhibiting non-linear correlations on the fly during experimental measurements, which can help steer exploration and improve the efficiency of experiments.

Artificial neural networks↗

DOE OSTI2022

TULIP: An RNA-seq-based Primary Tumor Type Prediction Tool Using Convolutional Neural Networks

Background: With cancer as one of the leading causes of death worldwide, accurate primary tumor type prediction is critical in identifying genetic factors that can inhibit or slow tumor progression. There have been efforts to categorize primary tumor types with gene expression data using machine learning, and more recently with deep learning, in the last several years. Methods In this paper, we developed four 1-dimensional (1D) Convolutional Neural Network (CNN) models to classify RNA-seq count data as one of 17 highly represented primary tumor types or 32 primary tumor types regardless of imbalanced representation. Additionally, we adapted the models to take as input either all Ensembl genes (60,483) or protein coding genes only (19,758). Unlike previous work, we avoided selection bias by not filtering genes based on expression values. RNA-seq count data expressed as FPKM-UQ of 9,025 and 10,940 samples from The Cancer Genome Atlas (TCGA) were downloaded from the Genomic Data Commons (GDC) corresponding to 17 and 32 primary tumor types respectively for training and validating the models. Results: All 4 1D-CNN models had an overall accuracy of 94.7% to 97.6% on the test dataset. Further evaluation indicates that the models with protein coding genes only as features performed with better accuracy compared to the models with all Ensembl genes for both 17 and 32 primary tumor types. For all models, the accuracy by primary tumor type was above 80% for most primary tumor types. Conclusions: We packaged all 4 models as a Python-based deep learning classification tool called TULIP (TUmor CLassIfication Predictor) for performing quality control on primary tumor samples and characterizing cancer samples of unknown tumor type. Further optimization of the models is needed to improve the accuracy of certain primary tumor types.

Jones, Sara↗

DOE OSTI2022

SDSS-IV MaStar: Data-driven Parameter Derivation for the MaStar Stellar Library

The Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) Stellar Library (MaStar) is a large collection of high-quality empirical stellar spectra designed to cover all spectral types and ideal for use in the stellar population analysis of galaxies observed in the MaNGA survey. The library contains 59,266 spectra of 24,130 unique stars with spectral resolution R ~ 1800 and covering a wavelength range of 3622–10,354 Å. In this work, we derive five physical parameters for each spectrum in the library: effective temperature (T eff ), surface gravity ($\mathrm{log} g$), metallicity ([Fe/H]), microturbulent velocity ($\mathrm{log}({v}_{\mathrm{micro}})$), and alpha-element abundance ([α/Fe]). These parameters are derived with a flexible data-driven algorithm that uses a neural network model. We train a neural network using the subset of 1675 MaStar targets that have also been observed in the Apache Point Observatory Galactic Evolution Experiment (APOGEE), adopting the independently-derived APOGEE Stellar Parameter and Chemical Abundance Pipeline parameters for this reference set. For the regions of parameter space not well represented by the APOGEE training set (7000 ≤ T ≤ 30,000 K), we supplement with theoretical model spectra. We present our derived parameters along with an analysis of the uncertainties and comparisons to other analyses from the literature.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2016

Geocam Space: Enhancing Handheld Digital Camera Imagery from the International Space Station for Research and Applications

Handheld astronaut photography of the Earth has been collected from the International Space Station (ISS) since 2000, making it the most temporally extensive remotely sensed dataset from this unique Low Earth orbital platform. Exclusive use of digital handheld cameras to perform Earth observations from the ISS began in 2004. Nadir viewing imagery is constrained by the inclined equatorial orbit of the ISS to between 51.6 degrees North and South latitude, however numerous oblique images of land surfaces above these latitudes are included in the dataset. While unmodified commercial off-the-shelf digital cameras provide only visible wavelength, three-band spectral information of limited quality current cameras used with long (400+ mm) lenses can obtain high quality spatial information approaching 2 meters/ground pixel resolution. The dataset is freely available online at the Gateway to Astronaut Photography of Earth site (http://eol.jsc.nasa.gov), and now comprises over 2 million images. Despite this extensive image catalog, use of the data for scientific research, disaster response, commercial applications and visualizations is minimal in comparison to other data collected from free-flying satellite platforms such as Landsat, Worldview, etc. This is due primarily to the lack of fully-georeferenced data products - while current digital cameras typically have integrated GPS, this does not function in the Low Earth Orbit environment. The Earth Science and Remote Sensing (ESRS) Unit at NASA Johnson Space Center provides training in Earth Science topics to ISS crews, performs daily operations and Earth observation target delivery to crews through the Crew Earth Observations (CEO) Facility on board ISS, and also catalogs digital handheld imagery acquired from orbit by manually adding descriptive metadata and determining an image geographic centerpoint using visual feature matching with other georeferenced data, e.g. Landsat, Google Earth, etc. The lack of full geolocation information native to the data makes it difficult to integrate astronaut photographs with other georeferenced data to facilitate quantitative analysis such as urban land cover/land use classification, change detection, or geologic mapping. The manual determination of image centerpoints is both time and labor-intensive, leading to delays in releasing geolocated and cataloged data to the public, such as the timely use of data for disaster response. The GeoCam Space project was funded by the ISS Program in 2015 to develop an on-orbit hardware and ground-based software system for increasing the efficiency of geolocating astronaut photographs from the ISS (Fig. 1). The Intelligent Robotics Group at NASA Ames Research Center leads the development of both the ground and on-orbit systems in collaboration with the ESRS Unit. The hardware component consists of modified smartphone elements including cameras, central processing unit, wireless Ethernet, and an inertial measurement unit (gyroscopes/accelerometers/magnetometers) reconfigured into a compact unit that attaches to the base of the current Nikon D4 camera - and its replacement, the Nikon D5 - and connects using the standard Nikon peripheral connector or USB port. This provides secondary, side and downward facing cameras perpendicular to the primary camera pointing direction. The secondary cameras observe calibration targets with known internal X, Y, and Z position affixed to the interior of the ISS to determine the camera pose corresponding to each image frame. This information is recorded by the GeoCam Space unit and indexed for correlation to the camera time recorded for each image frame. Data - image, EXIF header, and camera pose information - is transmitted to the ground software system (GeoRef) using the established Ku-band USOS downlink system. Following integration on the ground, the camera pose information provides an initial geolocation estimate for the individual film frame. This new capability represents a significant advance in geolocation from the manual feature-matching approach for both nadir and off-nadir viewing imagery. With the initial geolocation estimate, full georeferencing of an image is completed using the rapid tie-pointing interface in GeoRef, and the resulting data is added to the Gateway to Astronaut Photography of Earth online database in both Geotiff and Keyhole Markup Language (kml) formats. The integration of the GeoRef software component of Geocam Space into the CEO image cataloging workflow is complete, and disaster response imagery acquired by the ISS crew is now fully georeferenced as a standard data product. The on-orbit hardware component (GeoSens) is in final prototyping phase, and is on-schedule for launch to the ISS in late 2016. Installation and routine use of the Geocam Space system for handheld digital camera photography from the ISS is expected to significantly improve the usefulness of this unique dataset for a variety of public- and private-sector applications.

Stefanov, William L.↗

DOE OSTI2023

Peri-Net-Pro: the neural processes with quantified uncertainty for crack patterns

Abstract This paper develops a deep learning tool based on neural processes (NPs) called the Peri-Net-Pro, to predict the crack patterns in a moving disk and classifies them according to the classification modes with quantified uncertainties. In particular, image classification and regression studies are conducted by means of convolutional neural networks (CNNs) and NPs. First, the amount and quality of the data are enhanced by using peridynamics to theoretically compensate for the problems of the finite element method (FEM) in generating crack pattern images. Second, case studies are conducted with the prototype microelastic brittle (PMB), linear peridynamic solid (LPS), and viscoelastic solid (VES) models obtained by using the peridynamic theory. The case studies are performed to classify the images by using CNNs and determine the suitability of the PMB, LBS, and VES models. Finally, a regression analysis is performed on the crack pattern images with NPs to predict the crack patterns. The regression analysis results confirm that the variance decreases when the number of epochs increases by using the NPs. The training results gradually improve, and the variance ranges decrease to less than 0.035. The main finding of this study is that the NPs enable accurate predictions, even with missing or insufficient training data. The results demonstrate that if the context points are set to the 10th, 100th, 300th, and 784th, the training information is deliberately omitted for the context points of the 10th, 100th, and 300th, and the predictions are different when the context points are significantly lower. However, the comparison of the results of the 100th and 784th context points shows that the predicted results are similar because of the Gaussian processes in the NPs. Therefore, if the NPs are employed for training, the missing information of the training data can be supplemented to predict the results.

Mathematics↗

DOE OSTI2022

Health Physics Research Reactor Criticality Accident Alarm System Benchmark Overview

From the countless critical experiments performed in the world during the past century, high-quality integral benchmarks experiments have been collected and gathered into the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook), managed by the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Working Group. This information preservation and dissemination effort is crucial for reactor licensing as well as criticality and radiation transport modeling validation. This summary reports on the status of a tentative benchmark addition to the ICSBEP Handbook. The proposed benchmark arises from legacy operation data of the Oak Ridge National Laboratory (ORNL) Health Physics Research Reactor (HPRR). The HPRR was a small, unmoderated, unshielded fast burst reactor that was used for research in health physics and radiobiology as well as teaching and training. As part of a comprehensive investigation of the available HPRR operation data and characteristics, different possibilities for use of the valuable results were studied. A critical experiment benchmark evaluation was performed, analyzing data coming from sub-critical and critical operation of the HPRR during operator training, steady-state irradiation of samples and before critical bursts. The results of the evaluation do not satisfy for the ICSBEP standards as the benchmark relative standard uncertainty is of about 4% for k eff , and the relative difference between sample calculations and expected k eff results is of about 1.5%. Due to those unsatisfactory results, it was decided not to pursue critical experiments evaluation of the HPRR presently and to focus instead on shielding type data for the creation of a criticality accident alarm system (CAAS) and shielding category benchmark, which is currently very scarce in the ICSBEP handbook—especially concerning critical, pulsed assembly, or reactor operation data. Several dosimetry and shielding experiments from HPRR burst operation were evaluated, with different benchmark metrics as sulfur fluence, Element 57 dose, or neutron fluence at different distances and under different shield materials conditions. An evaluation focusing on the Element 57 neutron dose as a benchmark metric was submitted to the ICSBEP Technical Review Group (TRG) meeting in October 2021, and the inclusion of the evaluation in the ICSBEP Handbook was deferred. The main change proposed by the international experiment evaluation experts is to use the neutron fluence measured by Bonner spheres as a benchmark metric. This represents a quantity closer to that actually measured by the experimentalists of the HPRR compared to the Element 57 dose, which adds another step of data transformation, thus potentially adding uncertainty to the benchmark. The evaluation has been updated and will be submitted to the 2022 ICSBEP TRG meeting for inclusion in the 2023 edition of the ICSBEP Handbook. The evaluation is performed using the KENO and MAVRIC combination from the SCALE 6.2.4 code suite which was previously used in similar CAAS benchmarks to allow for the use of variance reduction techniques.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

Site 300 Small Firearms Training Facility Project Soil Sampling and Analysis Plan

Lawrence Livermore National Laboratory's (LLNL) Project Management Office (PMO) is planning to execute a construction project at the Small Firearms Training Facility within LLNL's Experimental Test Site, Site 300 (S300). The proposed project will include extensive dirt work from a removal of a berm, the installation of a cinder block wall, and the replacement of a canopy and a fence with an access gate. This Sampling and Analysis Plan (SAP) outlines the procedures to collect environmental samples for the management and/or disposition of excess soil generated from the project site and geotechnical samples for building pad and pavement designs. This SAP has been prepared and is organized to be consistent with LLNL's Soil Screening and Management Plan (SSMP) (LLNL, 2021), as well as the U.S. Environmental Protection Agency's (EPA) Data Quality Objectives (DQO) programs (EPA, 2006).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Integration of LIBS with Machine Learning for Real-Time Monitoring of Feedstock in H 2 Gasification Applications

This project, funded by the U.S. Department of Energy (DOE) – Office of Fossil Energy under Award Number DE-FE0032177, aimed to assess the feasibility of an integrated Laser-Induced Breakdown Spectroscopy (LIBS) system with advanced machine learning (ML) models for real-time characterization and potential control of hydrogen gasifiers running on waste materials as feedstocks. This was a multidisciplinary effort that encompassed the acquisition and standardized analysis of individual and blended feedstocks—comprising biomass, coal waste, and plastic waste, followed by the development of a dynamic LIBS bench system for material sample analysis and development of predictive ML models. Comprehensive laboratory testing enabled the creation of a robust elemental dataset that served as the foundation for ML model training. Techniques such as Random Forest, Gradient Boosting, Support Vector Regression, and Neural Networks were employed to predict key feedstock properties, including higher heating value (HHV), moisture content, thermal conductivity, and ash composition with high accuracy. The results were validated against experimental data and demonstrated strong potential for real-time application in gasifier control systems. The project concluded with a study on the integration of the LIBS+ML approach for gasifier control and a techno-economic analysis of the implementation of the approach into hydrogen (H 2 ) gasification systems. Dissemination of results was carried out at a DOE meeting. This work establishes a scalable framework for automated, in-line feedstock quality assessment, offering significant implications for process optimization and emissions reduction in hydrogen production.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2022

Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks

We use graph convolutional neural networks (GCNNs) to produce fast and accurate predictions of the total energy of solid solution binary alloys. GCNNs allow us to abstract the lattice structure of a solid material as a graph, whereby atoms are modeled as nodes and metallic bonds as edges. This representation naturally incorporates information about the structure of the material, thereby eliminating the need for computationally expensive data pre-processing which would be required with standard neural network (NN) approaches. We train GCNNs on ab-initio density functional theory (DFT) for copper-gold (CuAu) and iron-platinum (FePt) data that has been generated by running the LSMS-3 code, which implements a locally self-consistent multiple scattering method, on OLCF supercomputers Titan and Summit. GCNN outperforms the ab-initio DFT simulation by orders of magnitude in terms of computational time to produce the estimate of the total energy for a given atomic configuration of the lattice structure. We compare the predictive performance of GCNN models against a standard NN such as dense feedforward multi-layer perceptron (MLP) by using the root-mean-squared errors to quantify the predictive quality of the deep learning (DL) models. We find that the attainable accuracy of GCNNs is at least an order of magnitude better than that of the MLP.

Lupo Pasini, Massimiliano↗

DOE OSTI2023

Efficient Probabilistic Prediction and Uncertainty Quantification of Tropical Cyclone–Driven Storm Tides and Inundation

Abstract This study proposes and assesses a methodology to obtain high-quality probabilistic predictions and uncertainty information of near-landfall tropical cyclone–driven (TC-driven) storm tide and inundation with limited time and resources. Forecasts of TC track, intensity, and size are perturbed according to quasi-random Korobov sequences of historical forecast errors with assumed Gaussian and uniform statistical distributions. These perturbations are run in an ensemble of hydrodynamic storm tide model simulations. The resulting set of maximum water surface elevations are dimensionality reduced using Karhunen–Loève expansions and then used as a training set to develop a polynomial chaos (PC) surrogate model from which global sensitivities and probabilistic predictions can be extracted. The maximum water surface elevation is extrapolated over dry points incorporating energy head loss with distance to properly train the surrogate for predicting inundation. We find that the surrogate constructed with third-order PCs using elastic net penalized regression with leave-one-out cross validation provides the most robust fit across training and test sets. Probabilistic predictions of maximum water surface elevation and inundation area by the surrogate model at 48-h lead time for three past U.S. landfalling hurricanes (Irma in 2017, Florence in 2018, and Laura in 2020) are found to be reliable when compared to best track hindcast simulation results, even when trained with as few as 19 samples. The maximum water surface elevation is most sensitive to perpendicular track-offset errors for all three storms. Laura is also highly sensitive to storm size and has the least reliable prediction. Significance Statement The purpose of this study is to develop and evaluate a methodology that can be used to provide high-quality probabilistic predictions of hurricane-induced storm tide and inundation with limited time and resources. This is important for emergency management purposes during or after the landfall of hurricanes. Our results show that sampling forecast errors using quasi-random sequences combined with machine learning techniques that fit polynomial functions to the data are well suited to this task. The polynomial functions also have the benefit of producing exact sensitivity indices of storm tide and inundation to the forecasted hurricane properties such as path, intensity, and size, which can be used for uncertainty estimation. The code implementing the presented methodology is publicly available on GitHub.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Predicting weather impacts on corn production in a data-limited region using a transfer learning approach

The stability of food supply and prices may depend more on annual changes in yields from year-to-year variability in weather than on longer-term average changes from changing climatic conditions. However, the absence of high-quality data on crop yields at fine spatial resolutions in many regions of the world makes it challenging to statistically model their response to interannual variability in weather patterns. Therefore, there is a need for empirical methods that can project annual crop yield changes even in limited data regions. Here, we propose a transfer learning algorithm that uses high spatial resolution data from one region to project yields in another region with more limited data. The goal of our work is to understand what data types can be beneficial for transferring learning from a source region to a very different target region with more limited data. We utilize Long Short-Term Memory to develop a transfer learning model that is trained on historical county-level corn yield in the United States and predicts district-level corn yield variations in India. Even using smaller amounts of data in India, simulating a data-scarce region, we achieve an average root mean square error of 0.48 bu acre−1 in predicting interannual yield variations. Using Shapley values to interpret results, we explore the contribution of the different weather parameters to interannual yield variability and find a larger influence of precipitation-related variables. Our study demonstrates the usefulness of this method for transferring models of weather impacts on crop yields trained on a data-rich country to one with more limited data. It suggests the potential of applying the transfer learning model to mitigate the need for extensive raw data globally.

Vishwakarma, Srishti [ORNL] (ORCID:000000031674419↗

DOE OSTI2023

Prediction on X-ray output of free electron laser based on artificial neural networks

Abstract Knowledge of x-ray free electron lasers’ (XFELs) pulse characteristics delivered to a sample is crucial for ensuring high-quality x-rays for scientific experiments. XFELs’ self-amplified spontaneous emission process causes spatial and spectral variations in x-ray pulses entering a sample, which leads to measurement uncertainties for experiments relying on multiple XFEL pulses. Accurate in-situ measurements of x-ray wavefront and energy spectrum incident upon a sample poses challenges. Here we address this by developing a virtual diagnostics framework using an artificial neural network (ANN) to predict x-ray photon beam properties from electron beam properties. We recorded XFEL electron parameters while adjusting the accelerator’s configurations and measured the resulting x-ray wavefront and energy spectrum shot-to-shot. Training the ANN with this data enables effective prediction of single-shot or average x-ray beam output based on XFEL undulator and electron parameters. This demonstrates the potential of utilizing ANNs for virtual diagnostics linking XFEL electron and photon beam properties.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

In additive manufacturing (AM), process defects such as keyhole pores are difficult to anticipate, affecting the quality and integrity of the AM-produced materials. Hence, considerable efforts have aimed to predict these process defects by training machine learning (ML) models using passive measurements such as acoustic emissions. This work considered a dataset in which keyhole pores of a laser powder bed fusion (LPBF) experiment were identified using X-ray radiography and then registered both in space and time to acoustic measurements recorded during the LPBF experiment. Due to AM’s intrinsic process controls, where a pore-forming event is relatively rare, the acoustic datasets collected during monitoring include more non-pores than pores. In other words, the dataset for ML model development is imbalanced. Moreover, this imbalanced and sparse data phenomenon remains ubiquitous across many AM monitoring schemes since training data is nontrivial to collect. Hence, we propose a machine learning approach to improve this dataset imbalance and enhance the prediction accuracy of pore-labeled data. Specifically, we investigate how data augmentation helps predict pores and non-pores better. This imbalance is improved using recent advances in data augmentation called Mixup, a weak-supervised learning method. Convolutional neural networks (CNNs) are trained on original and augmented datasets, and an appreciable increase in performance is reported when testing on five different experimental trials. When ML models are trained on original and augmented datasets, they achieve an accuracy of 95% and 99% on test datasets, respectively. We also provide information on how dataset size affects model performance. Lastly, we investigate the optimal Mixup parameters for augmentation in the context of CNN performance.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

42 ENGINEERING↗

DOE OSTI2024

Late-Stage Research Development and Demonstration Sub-activities Updates – FY24 Q3

Oak Ridge National Laboratory (ORNL), in collaboration with the Pacific Northwest National Laboratory (PNNL), the National Renewable Energy Laboratory (NREL), the Lawrence Berkeley National Laboratory (LBNL), and the Hummingbird Firm (a specialized consulting firm focused on promoting diversity, equity, and inclusion considerations), has initiated a national initiative known as the Heat Pump (HP) and Heat Pump Water Heater (HPWH) Field Validation Partnership. This effort involves active participation from numerous critical entities involved in research and market transformation within the field. The ORNL team is responsible for leading Late-Stage Research Development and Demonstration (LSRDD) among the four different topics. The overall outcomes of this project will be: (1) A structured Field Validation Partnership between DOE, the national labs, research, implementation, and market transformation organizations. This will result in unique way to coordinate field validation plans and collect relevant data from around the country into the HP and HPWH Field Validation Database. (2) The Field Validation Partnership will result in a continuous stream of information between DOE and the major industry players in the space of HPs and HPWHs. If desired, DOE could use this information to inform roadmaps related to HP and HPWH market adoption and research going forward. (3) The structure of this Partnership provides a mechanism for sharing lessons learned directly between Late-Stage RD&D, Building Integration Barriers, Regional Market and Policy and Workforce Development efforts. The result will be training content that is well-reviewed by the Partnership which will lead to a workforce that meets the industry’s quality and workforce supply demands. (4) The structure of this Partnership also provides an opportunity for regions to share lessons learned on policy and market transformation with each other through the Market and Policy core Committee. This report includes an update in Late-Stage Research Development and Demonstration.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2026

Thermodynamics-guided machine learning model for predicting convective boundary layer height and its multi-site applicability

Accurate estimation of convective boundary layer height (CBLH) is vital for weather, climate, and air quality modeling. Machine learning (ML) shows promise in CBLH prediction, but input parameter selection often lacks physical grounding, limiting generalizability. This study introduces a novel ML framework for CBLH prediction, integrating thermodynamic constraints and the diurnal CBLH cycle as an implicit physical guide. Boundary layer growth is modeled as driven by surface heat fluxes and atmospheric heat absorption represented with the low tropospheric stability, using the diurnal cycle as input and output. TPOT and AutoKeras are employed to select optimal models, validated against Doppler lidar-derived CBLH data, achieving an R 2 of 0.84 across untrained years. Comparisons of eddy covariance (ECOR) and energy balance Bowen ratio (EBBR) flux measurements show the same prediction capability. Models trained on the ARM SGP C1 site with ECOR data and tested at E37 and E39 yield R 2 values of 0.79 and 0.81, respectively, demonstrating their adaptability. The ML model trained with all sites' data slightly enhances the performance compared with ML models trained over single-site data. The interquartile range for predicted CBLH is consistently narrower than that for DL-derived CBLH, reflecting lower variability in predicted CBLH compared to DL-derived CBLH, which is influenced by additional factors, which are not well represented with the model inputs. The model's generalizability across multiple sites at the ARM SGP site demonstrates its potential for transfer to greater distances, offering a scalable approach for enhancing boundary layer parameterization in atmospheric models.

Chu, Yufei [Stony Brook Univ., NY (United States)]↗

NASA NTRSDate not supplied

How Can We Harness the Power of Machine Learning With TEMPO Data?

There are many potential applications of machine learning for TEMPO data that include - Improve retrievals by reducing the effect of random instrument noise - Expand coverage by producing data in moderately cloudy conditions (see also Fasnacht et al. poster) - Help diagnose impacts of instrumental artifacts - Produce value-added products quickly by training on existing products from other sensors (land and ocean) - Speed up processing by training on products produced with full-physics algorithms (e.g., NO 2 slant column fitting may take ~1 hour/orbit but with a neural net it may take only minutes)

NO2↗