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NASA NTRSDate not supplied

Global Variability in Sonic Boom Exposure due to Macroscopic Effects

Supersonic flight over land has been prohibited since 1973 due to the loudness of sonic booms. NASA is building the X-59 aircraft as part of its Quesst mission to demonstrate low-loudness shaped sonic booms, or “sonic thumps.” The Quesst mission will gather human perception data via a series of community noise surveys across the USA. The noise dose and perceptual response data will be provided to the International Civil Aviation Organization (ICAO) and the Federal Aviation Administration for use in determining potential future supersonic aircraft noise certification standards, effectively changing the prohibition from a speed limit to a noise limit. These noise regulations must be globally effective, as long travel distances see the largest benefit to supersonic flight. The state of the atmosphere through which a sonic boom travels affects the size of the region exposed to sound, the “carpet width” (CW), as well as the loudness. The focus of this dissertation is to understand and quantify the expected loudness and CW of sonic booms due to the macroscopic atmospheric effects around the world. A pair of large-scale propagation simulation studies were conducted using the NASA PCBoom code to compare predicted sonic boom loudness and CW statistics first across the USA and then across the world. For the USA study, near-field data of the X-59 in steady cruise was propagated at 4 cardinal headings at 138 locations through 5 years of Climate Forecast System Version 2 (CFSv2) atmospheric profiles. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, latitude, ground elevation, season, and heading. It also noted the unimportance of time of day for predicting loudness and CW. The data is visualized in aggregate, and then broken out geographically, by season and heading, and by climate zone. Multiple linear regression models were fit to the data from the 138 locations so that estimates of the loudness and CW can be produced anywhere in the US. The results can aid in planning when and where to fly the X-59. For the global study, near-field data from three aircraft, the X-59 in a quiet and loud configuration, B-58, and Concorde, were propagated at four cardinal headings through data from three atmospheric models, the CFSv2, the Global Forecast System (GFS), and the ECMWF Reanalysis Version 5 (ERA5), at 100 global locations over 1 year. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, ground elevation, season, and heading. Similar to the US study, the model indicated time of day was not an important predictor. The model also indicated that choice of weather model was not important, so the atmospheric model data are effectively interchangeable. The ERA5 model was chosen for use in an extension of the study to include 18 additional locations to ensure sampling of every climate zone. Loudness and CW results are shown in aggregate, and split geographically and by heading, season, and climate. Multiple linear regression models were fit to the data from the 118 locations so that estimates of loudness and CW can be produced around the world. N-waves and shaped booms did not have the same global variability. Koppen-Geiger climate zones were used as the climate zone definition for the global study. These are available as present-day and future climate projections. Making use of the multiple linear regression models, the future climate zones were input to estimate the effect of the changing climate on sonic boom loudness and CW. Results indicate that a changing climate would have little impact on the effectiveness of noise regulations.

X-59↗
NASA NTRS2024

Multi-Agency Ensemble Forecast of Wildfire Air Quality in the United States: Toward Community Consensus of Early Warning

Wildfires pose increasing risks to human health and properties in North America. Due to large uncertainties in fire emission, transport, and chemical transformation, it remains challenging to accurately predict air quality during wildfire events, hindering our collective capability to issue effective early warnings to protect public health and welfare. Here we present a new real-time Hazardous Air Quality Ensemble System (HAQES) by leveraging various wildfire smoke forecasts from three U.S. federal agencies (NOAA, NASA, and Navy). Compared to individual models, the HAQES ensemble forecast significantly enhances forecast accuracy. To further enhance forecasting performance, a weighted ensemble forecast approach was introduced and tested. Compared to the unweighted ensemble mean, the multilinear regression weighted ensemble reduced fractional bias by 34% in the major fire regions, false alarm rate by 72%, and increased hit rate by 17%. Finally, we improved the weighted ensemble using quantile regression and weighted regression methods to enhance the forecast of extreme air quality events. The advanced weighted ensemble increased the PM2.5 exceedance hit rate by 55% compared to the ensemble mean. Our findings provide insights into the development of advanced ensemble forecast methods for wildfire air quality, offering a practical way to enhance decision-making support to protect public health.

Yunyao Li↗
NASA NTRS2024

Low-Cost Sensor Performance Intercomparison, Correction Factor Development, and 2+ Years of Ambient PM2.5 Monitoring in Accra, Ghana

Particulate matter air pollution is a leading cause of global mortality, particularly in Asia and Africa. Addressing the high and wide-ranging air pollution levels requires ambient monitoring, but many low- and middle-income countries (LMICs) remain scarcely monitored. To address these data gaps, recent studies have utilized low-cost sensors. These sensors have varied performance, and little literature exists about sensor intercomparison in Africa. By colocating 2 QuantAQ Modulair-PM, 2 PurpleAir PA-II SD, and 16 Clarity Node-S Generation II monitors with a reference-grade Teledyne monitor in Accra, Ghana, we present the first intercomparisons of different brands of low-cost sensors in Africa, demonstrating that each type of low-cost sensor PM2.5 is strongly correlated with reference PM2.5, but biased high for ambient mixture of sources found in Accra. When compared to a reference monitor, the QuantAQ Modulair-PM has the lowest mean absolute error at 3.04 μg/m3, followed by PurpleAir PA-II (4.54 μg/m3) and Clarity Node-S (13.68 μg/m3). We also compare the usage of 4 statistical or machine learning models (Multiple Linear Regression, Random Forest, Gaussian Mixture Regression, and XGBoost) to correct low-cost sensors data, and find that XGBoost performs the best in testing (R2: 0.97, 0.94, 0.96; mean absolute error: 0.56, 0.80, and 0.68 μg/m3 for PurpleAir PA-II, Clarity Node-S, and Modulair-PM, respectively), but tree-based models do not perform well when correcting data outside the range of the colocation training. Therefore, we used Gaussian Mixture Regression to correct data from the network of 17 Clarity Node-S monitors deployed around Accra, Ghana, from 2018 to 2021. We find that the network daily average PM2.5 concentration in Accra is 23.4 μg/m3, which is 1.6 times the World Health Organization Daily PM2.5 guideline of 15 μg/m3. While this level is lower than those seen in some larger African cities (such as Kinshasa, Democratic Republic of the Congo), mitigation strategies should be developed soon to prevent further impairment to air quality as Accra, and Ghana as a whole, rapidly grow.

Humidity↗
NASA NTRSDate not supplied

Exploring Flooded Fraction Prediction through Machine Learning Models Focusing on Medical Infrastructure in the Southeast U.S. Coastal Areas

Rising sea levels due to climate change increasingly threaten medical infrastructure through flooding. This study develops machine learning models to predict flood exposure for 11,508 medical facilities in the southeastern coastal regions of the United States by integrating datasets including meteorological, hydrological, topographic, and geological data, the Natural Risk Index, and historical flood records from NASA, HIFLD, and FEMA. Six regression models, namely Linear Regression, Support Vector Regression, Random Forest, k-Nearest Neighbors, XGBoost, and Artificial Neural Networks, are trained using 16 explanatory variables identified through literature review and correlation analysis. Data preprocessing employs the SMOGN for class imbalance and Winsorization for outliers. Model performance is evaluated using MAE, MSE, and RMSE, with Random Forest and XGBoost models achieving the highest performance (MSE of 2.58e-5 and 3.69e-5, respectively). This multifactorial approach allows the models to capture complex flood-influencing relationships, enhancing adaptability and performance across geographic regions. Future work focuses on expanding across the U.S. and developing a near real-time flood monitoring system.

Jihoon Chung↗
NASA NTRS2026

Spatially Refined Satellite Gravimetry Captures Human Signatures in Global Terrestrial Water Storage Trends

Human activities have directly altered the water cycle through water management, aquifer pumping, agricultural irrigation, and land use change. Although satellite gravimetry has transformed global hydrological research, its coarse resolution limits attribution of freshwater change to human activities at many management-relevant scales. Here we assessed global terrestrial water storage (TWS) trends from April 2002 to November 2025 using “stacked” regression of Level-1B intersatellite ranging data, which leverages temporal information and variability to dramatically improve effective spatial resolution relative to standard approaches. We combined this refined product with rigorous uncertainty analysis, autocorrelation-robust geostatistical methods, and literature assessment to evaluate TWS trend associations with land and water use, climate variability, and glacial mass loss. We identified TWS trend hotspots exhibiting significant spatial associations with anthropogenic 40 drivers, including groundwater and surface-water irrigation, rainfed agriculture, deforestation, and reservoir impoundment. Across these regions, cumulative TWS losses (3,122 Gt) substantially exceeded gains (2,432 Gt). Compared with traditional regression of monthly mascons, our approach yielded regional trend magnitudes that are on average 33% larger, revealing that global freshwater depletion, particularly from groundwater pumping, is considerably more acute than previously estimated. Multivariate regression models show that humans account for a significant share of the spatial variability in TWS trends on every non-polar continent except Australia. We detected localized TWS gains linked to rainfed agriculture, surface water irrigation, and reservoir filling that were unresolved in earlier gravimetric studies. The methodology provides a foundation for future gravity missions to independently track decadal freshwater change with unprecedented spatial fidelity.

groundwater↗
DOE OSTI2026

Beyond Point Estimates: Benchmarking Uncertainty Quantification Methods on the AION-1 Astronomical Foundation Model

Foundation models for astronomical surveys offer powerful learned representations that can be transferred to downstream regression tasks such as galaxy property estimation. However, point predictions alone are insufficient for scientific inference; reliable uncertainty quantification (UQ) is essential. We compare seven UQ methods on galaxy property regression using frozen AION-1 foundation-model embeddings, predicting redshift, stellar mass, stellar-population age, gas-phase metallicity, and specific star-formation rate, from Legacy Survey photometry/imaging and DESI spectra, with PROVABGS-derived labels. Distribution-free conformal methods achieve marginal coverage within $\sim$1 pp of the nominal 90% across all properties, while non-conformal baselines (Deep Ensembles, MC~Dropout) fail to calibrate reliably. Among conformal approaches, Conformalized Quantile Regression (CQR) delivers the best coverage in the bin with the poorest model predictions. More importantly, only the Locally Valid and Discriminative (LVD) framework -- particularly when operating on AION-1 embeddings -- also provides finite-sample \emph{local validity}, producing intervals that adapt to each galaxy's local prediction difficulty rather than relying on marginal guarantees alone. These results establish conformal prediction, and LVD in particular, as the preferred UQ framework for uncertainty-aware inference on foundation-model embeddings in astrophysics.

Tame-Narvaez, Karla [Fermilab] (ORCID:000000022249↗
DOE OSTI2025

A Parametric, Data-Driven, Non-Intrusive Reduced-Order Model Framework for Crystal Plasticity Simulations of Voids

The influence of the internal structure at micrometer length scales on the deformation of polycrystalline materials can be effectively captured using crystal plasticity finite element methods (CPFEM). However, the complexity and nonlinearity of the deformation equations CPFEM solves demand significant computational power and resources to achieve accurate predictions, limiting its broader application. To address this challenge, we have identified a reduced-order representation of the complex data in order to establish a computationally efficient reduced-order models (ROM) and drastically reduce the computational expense of CPFEM. Specifically, in this work, we developed a parametric, data-driven, and non-intrusive ROM framework for CPFEM using proper orthogonal decomposition (POD) and sparse variational Gaussian process (SVGP) regression for single-crystal microstructures under tensile loading conditions. The developed protocol enables one to compress field into a latent/low-dimensional space described by principal component analysis (PCA) via the singular value decomposition (SVD) algorithm. As a result, the high-dimensional data are reduced to a significantly smaller amount of dimensions with POD bases and POD coefficients. Furthermore, we deployed an ensemble of SVGPs—extended from the classical Gaussian process (GP) regression for scalability and handling big data—in a massively parallel manner to train and predict latent POD coefficients using known POD bases from a set of previously obtained simulations results. Lastly, using the predicted POD coefficients, we reconstructed the full-field results and showed reasonable agreement compared with the true values obtained from running CPFEM. The developed framework is validated with a set of CPFEM simulations of a single embedded void in single-crystal aluminum alloy. While the framework is broadly applicable, this work specifically focuses on single-crystal microstructures, a single load case (e.g., tensile), and a specific void geometry (spherical).

Anisotropy↗
DOE OSTI2025

Rate expressions and kinetic parameters for metal ferrites in relation to applications of fossil fuel conversion to hydrogen: Part 1 of 2

Here, the goal of the present work was to provide the necessary reaction emulation information to enable detailed process simulation of a chemical looping H 2 production system from fossil fuels using CaFe 2 O 4 . This specifically pertained to the necessary kinetic data, reaction model development, and model rate parameters required for reaction emulation in both reducing and oxidizing environments. A logical methodology was defined, which included discretization of the reaction network, establishing a core model for reaction emulation that could be adapted based on the system phenomena, and development of a rate parameter regression tool designed around the core model. An extensive array of data sets was acquired by which parametric regressions were performed. The work presented and tabulated a comprehensive set of rate parameters for the reduction and oxidation reactions of CaFe 2 O 4 and descendent phases of Ca 2 Fe 2 O 5 , FeO, Fe 3 O 4 , Fe, and CaO to emulate reaction behavior in a looping-based process environment. This included direct reduction using CH 4 , H 2 , and CO, and direct oxidation reactions with steam, CO 2 and O 2 . Dynamic equilibrium was quantified for reactions that could utilize H 2 O and CO 2 as soft oxidants to re-saturate lattice oxygen in the depleted structure/phases. The kinetics associated with the oxidative mechanisms with the soft oxidants were quantified and compared to those of the reducing counterparts. The analysis provided critical insight to emulate reactions for a process that seeks to use natural gas (NG) or other fossil fuels as a direct reductant for the end goal of H 2 production.

calcium ferrite oxygen carriers↗
DOE OSTI2024

Short-Term Load Forecasting Considering EV Charging Loads with Prediction Interval Evaluation

Short-term load forecasting plays a critical role in power system planning and operation. Along with the electrification of various loads, electricity demands are becoming increasingly hard to predict. Notably, the recent rise in electric vehicles (EVs) has further contributed to this unpredictability. To address this issue, this paper proposes a probabilistic load forecasting strategy utilizing Gaussian process regression, structured in a day-ahead manner. While many works focus on deterministic prediction, probabilistic forecasting offers additional insights into variability and uncertainty, enabling more flexible and reliable operation for power systems. To enhance the accuracy of the load forecasting model, the inputs include features related to EV charging habits as well as commonly used weather information. The load forecasting results are evaluated using various metrics, including conventional ones that assess the accuracy of point forecasts, as well as additional metrics that test the reliability of prediction intervals. The proposed load forecasting method is finally tested on real residential power consumption data and EV charging data sampled from real-world sources. The results prove that the new features can greatly improve the performance of the load forecasting method.

electrical vehicle↗
NASA NTRS2020

Statistical Analysis of Factors Riving Surface Ozone Variability over Continental South Africa

Statistical relationships between surface ozone (O3) concentration, precursor species and meteorological conditions in continental South Africa were examined from data obtained from measurement stations in north-eastern South Africa. Three multivariate statistical methods were applied in the investigation, i.e. multiple linear regression (MLR), principal component analysis (PCA) and –regression (PCR), and generalised additive model (GAM) analysis. The daily maximum 8-h moving average O3 concentrations were considered in these statistical models (dependent variable). MLR models indicated that meteorology and precursor species concentrations are able to explain ~50% of the variability in daily maximum O3 levels. MLR analysis revealed that atmospheric carbon monoxide (CO), temperature and relative humidity were the strongest factors affecting the daily O3 variability. In summer, daily O3 variances were mostly associated with relative humidity, while winter O3 levels were mostly linked to temperature and CO. PCA indicated that CO, temperature and relative humidity were not strongly collinear. GAM also identified CO, temperature and relative humidity as the strongest factors affecting the daily variation of O3. Partial residual plots found that temperature, radiation and nitrogen oxides most likely have a non-linear relationship with O3,while the relationship with relative humidity and CO is probably linear. An inter-comparison between O3 levels modelled with the three statistical models compared to measured O3 concentrations showed that the GAM model offered a slight improvement over the MLR model. These findings emphasise the critical role of regional-scale O3 precursors coupled with meteorological conditions in daily variances of O3 levels in continental South Africa.

multiple linear regression (MLR)↗
DOE OSTI2025

Joint Modeling of Wind Speed and Wind Direction Through a Conditional Approach

Atmospheric near surface wind speed and wind direction play an important role in many applications, ranging from air quality modeling, building design, wind turbine placement to climate change research. It is therefore crucial to accurately estimate the joint probability distribution of wind speed and direction. In this work, we develop a conditional approach to model these two variables, where the joint distribution is decomposed into the product of the marginal distribution of wind direction and the conditional distribution of wind speed given wind direction. To accommodate the circular nature of wind direction, a von Mises mixture model is used; the conditional wind speed distribution is modeled as a directional dependent Weibull distribution via a two-stage estimation procedure, consisting of a directional binned Weibull parameter estimation, followed by a harmonic regression to estimate the dependence of the Weibull parameters on wind direction. A Monte Carlo simulation study indicates that our method outperforms two other approaches in estimation efficiency: one that utilizes periodic spline quantile regression and another that generates data from the commonly used Abe-Ley distribution for cylindrical data. We illustrate our method by using the output from a regional climate model to investigate how the joint distribution of wind speed and direction may change under some future climate scenarios. Our method indicates significant changes in the variation of wind speed with respect to some directions.

17 WIND ENERGY↗
DOE OSTI2024

Computationally efficient and error aware surrogate construction for numerical solutions of subsurface flow through porous media

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by the solution of Darcy’s partial differential equation for a given permeability field. The subsurface permeability is modeled as a random field since it is known only up to statistical properties. This induces uncertainty in the computed pressure. Solving the partial differential equation for an ensemble of random permeability simulations enables estimating a probability distribution for the pressure at the critical location. These simulations are computationally expensive, and practitioners often need rapid online guidance for real-time pressure management. An ensemble of numerical partial differential equation solutions is used to construct a Gaussian process regression model that can quickly predict the pressure at the critical location as a function of the extraction rate and permeability realization. The Gaussian process surrogate analyzes the ensemble of numerical pressure solutions at the critical location as noisy observations of the true pressure solution, enabling robust inference using the conditional Gaussian process distribution. Our first novel contribution is to identify a sampling methodology for the random environment and matching kernel technology for which fitting the Gaussian process regression model scales as O ( n log n ) instead of the typical O ( n 3 ) rate in the number of samples n used to fit the surrogate. The surrogate model allows almost instantaneous predictions for the pressure at the critical location as a function of the extraction rate and permeability realization. Our second contribution is a novel algorithm to calibrate the uncertainty in the surrogate model to the discrepancy between the true pressure solution of Darcy’s equation and the numerical solution. Finally, although our method is derived for building a surrogate for the solution of Darcy’s equation with a random permeability field, the framework broadly applies to solutions of other partial differential equations with random coefficients.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Data driven investigation to understand the influence of total solids on biological biogas upgrading

In situ biogas upgrading achieves CO 2 conversion to CH 4 via hydrogenotrophic methanogenesis; however, gas-liquid mass transfer constraints limit the upgrading performance. Recognizing that optimization studies often underrepresent the effects of total solids (TS) and organic loading rate (OLR), this study undertook a holistic, statistics driven assessment of operating conditions for in situ H 2 assisted biogas upgrading, centering the analysis on TS and OLR. A dataset of 31 studies was compiled and comprised 99 observations. A rigorous analytical framework was employed, combining data standardization, fixed- and random-effects (REML) weighted regressions with cluster-robust errors, stratified analyses, and machine learning. Mixed-effects meta regression indicated that TS was the main factor explaining differences of methane fraction (CH 4 %) when considering the between studies heterogeneity. Focusing on a near-stoichiometric subset (H 2 /CO 2 ≈ 4:1), TS remained significant. Stratified results showed a stronger negative relationship between TS and CH 4 % in UASB reactors than in CSTRs, with a negative effect under mesophilic conditions and no significant effect under thermophilic conditions. A Random Forest model corroborated the statistical findings, consistently ranking H 2 /CO 2 ratio, OLR, TS, and hydrogen injection rate (HIR) as the most influential predictors. These findings delineate trends across increasing TS levels, particularly between 1% and 10%, and provide preliminary insights for TS above 15% in in situ biogas upgrading. They further provide insights for the influence of TS by reactor type and temperature, thereby advancing the evidence base for implementing biological CO 2 conversion to CH 4 in practice.

In situ biogas upgrading↗
DOE OSTI2024

Modeling plasticity-mediated void growth at the single crystal scale: A physics-informed machine learning approach

Modeling the evolution of voids during plastic flow as well as their effects on plastic dissipation is critical for both component manufacturing and lifetime estimation purposes. To this end, we propose a rate-dependent constitutive model to homogenize the effects of semi-randomly distributed voids on single crystal plasticity whilst capturing void interaction and plastic anisotropy. Here, this present work focuses on the case of face centered cubic crystals to introduce an anisotropic gauge function applicable within the crystal plasticity formalism. The approach combines analytical methods to describe the micromechanics of the system in combination with symbolic regression to capture analytically intractable mechanisms from data. The hybrid framework uses a physics-informed genetic programming-based symbolic regression algorithm to solve a multiform optimization problem simultaneously producing a new gauge function and a new strain rate equation. This is also a multi-objective optimization problem with many competing objectives. A new search and selection step is introduced to the genetic algorithm that promotes convergence toward a global solution that better satisfies all the objectives. Overall, the symbolic equations produced leverage data-driven methods to achieve greater accuracy than comparable alternatives on an analytically intractable problem while maintaining model transparency.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Predicting Damages to Remainder Parcels in Right-of-Way Acquisitions for Expanding Transportation Infrastructure: Using a Truncated Finite-Mixture Model

Right-of-way acquisition is a critical component of transportation infrastructure development. Transportation infrastructure projects cannot proceed without proper right-of-way acquisition or may face significant delays. State Departments of Transportation frequently acquire parcels of land for roadway expansion projects. A majority of these acquisitions can be partial takings, referring to a portion of a parcel that is acquired. The remainder of the property usually suffers economic changes due to the partial acquisition, which can be calculated as damage percentages. The damage percentage represents the extent to which the remaining land or property value has been diminished due to the acquisition. It reflects the remaining property value percentage that may have been lost or compromised due to the acquisition. Here, this study aims to provide a robust model to estimate damage percentages to the remainder parcels that may help state Departments of Transportation appraisers make early predictions about the damages in cases involving partial takings. The research uses 509 appraisal reports from the Tennessee Department of Transportation to identify the key parcel attributes that influence the percentage of damages. Three regression models are developed: a linear regression model, a finite-mixture model (FMM), and a truncated FMM with two latent classes. The modeling results show that the truncated FMM with two classes outperforms the other models. To validate the models, actual sales data is collected and analyzed for 59 properties, and the results suggest that the model predictions are fairly accurate. A predictive tool is developed based on the models to help appraisers anticipate right-of-way damages under different scenarios and can provide early predictions about the damages.

42 ENGINEERING↗
DOE OSTI2024

Shock Hugoniot calculations using on-the-fly machine learned force fields with ab initio accuracy

We present a framework for computing the shock Hugoniot using on-the-fly machine learned force field (MLFF) molecular dynamics simulations. In particular, we employ an MLFF model based on the kernel method and Bayesian linear regression to compute the free energy, atomic forces, and pressure, in conjunction with a linear regression model between the internal and free energies to compute the internal energy, with all training data generated from Kohn–Sham density functional theory (DFT). We verify the accuracy of the formalism by comparing the Hugoniot for carbon with recent Kohn–Sham DFT results in the literature. In so doing, we demonstrate that Kohn–Sham calculations for the Hugoniot can be accelerated by up to two orders of magnitude, while retaining ab initio accuracy. We apply this framework to calculate the Hugoniots of 14 materials in the FPEOS database, comprising 9 single elements and 5 compounds, between temperatures of 10 kK and 2 MK. We find good agreement with first principles results in the literature while providing tighter error bars. In addition, we confirm that the inter-element interaction in compounds decreases with temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Decoding diffraction and spectroscopy data with machine learning: A tutorial

This Tutorial provides a step-by-step guide on how to apply supervised machine-learning techniques to analyze diffraction and spectroscopy data. This Tutorial details four models—a reconstruction-focused model, a regression-focused model, a hybrid reconstruction/regression model, and a multimodal model—that use x-ray diffraction profiles and vibrational density of states spectra to predict various microstructural descriptors. In this Tutorial, we cover data pre-processing steps, constructions of the models via dimensionality reduction and regression, training, and analysis of these models. Comparisons of the model’s performance are provided, highlighting the strength and weakness of the various approaches utilized.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unifying simulation and inference with normalizing flows

There have been many applications of deep neural networks to detector calibrations and a growing number of studies that propose deep generative models as automated fast detector simulators. We show that these two tasks can be unified by using maximum likelihood estimation (MLE) from conditional generative models for energy regression. Unlike direct regression techniques, the MLE approach is prior independent and non-Gaussian resolutions can be determined from the shape of the likelihood near the maximum. Using an ATLAS-like calorimeter simulation, we demonstrate this concept in the context of calorimeter energy calibration. Published by the American Physical Society 2025

Hadronic calorimiters↗