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

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At least 1,207 records · Page 67

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NASA NTRS2008

New Developments for Physically-based Falling Snow Retrievals over Land in Preparation for GPM

The NASA Global Precipitation Measurement mission (GPM) concept centers on deploying a Core spacecraft carrying a dual-frequency precipitation radar and a microwave radiometric imager with channels from 10 to 183 GHz to serve as a precipitation physics observatory and a calibration reference to unify a constellation of dedicated and operational passive microwave sensors. Because of the extended orbit of the Core (plus or minus 65 deg) and the enhanced dual frequency radar and high frequency radiometer, GPM will be able to sense falling snow precipitation and light rain over land. Accordingly, GPM has partnered with the Canadian CloudSat/CALIPSO Validation Project (C3VP) to obtain observations to provide one of several important ground-based validation data sets around which the falling snow models and retrieval algorithms can be further developed and tested. In this work we compare and correlate the long time series (Nov.'06 - March '07) measurements of precipitation rate from parsivels to the passive (89, 150, 183 plus or minus 1, plus or minus 3, plus or minus 7 GHz) observations of NOAA's AMSU-B radiometer. We separate the comparisons into categories of no precipitation, liquid rain and falling snow precipitation. We found that there are similar TBs (especially at 89 and 150 GHz) for cases with falling snow and for non-precipitating cases. The comparisons indicate that surface emissivity contributions to the satellite observed TB over land can add uncertainty in detecting and estimating falling snow. The newest results show that by computing brightness temperatures based on CARE radiosonde data and a rough estimate of surface emissivity show that the cloud ice scattering signal in the AMSU-B data is detected. That is the differences in computed TB and AMSU-B TB for precipitating and non-precipitating cases are unique such that the precipitating and non-precipitating cases can be identified. These results require that the radiosonde releases are within an hour of the AMSU-B data. Forest fraction, snow cover, and measured emissivities were combined to calculate the surface emissivities.

Jackson, Gail S.↗

DOE OSTI2026

The high level trigger and express data production at STAR

To meet the demands of the Beam Energy Scan phase-II (BES-II) program, the STAR experiment at the Relativistic Heavy Ion Collider (RHIC) developed a dual real-time framework consisting of a High Level Trigger (HLT) and an Express Data Production system (xProduction). The HLT operates online within the Data Acquisition (DAQ) chain on a dedicated multi-core CPU cluster with the option to offload compute-intensive kernels to Xeon Phi coprocessors. It uses parallelized algorithms, such as the Cellular Automaton (CA) Track Finder, to perform rapid tracking, vertexing, and event filtering. This allows it to select events of interest in real time and provide immediate feedback on detector and beam conditions. In contrast, the xProduction workflow runs concurrently and independently of the DAQ loop. It applies near offline-quality calibration and reconstruction within hours of data collection. The xProduction input is the express data stream, whose content can be enriched by HLT trigger/priority selections under DAQ/HLT resource constraints, and it uses the STAR calibration/conditions framework, incorporating online calibration/QA information when available. This enables early preliminary physics analysis, including the reconstruction of rare signals, such as hyperons and hypernuclei. It also provides collaboration-wide access to analysis-ready datasets. Together, the HLT and xProduction systems form a complementary architecture: the HLT performs online event selection while the xProduction chain delivers high-quality results within a short amount of time. This integrated framework has enabled the prompt reconstruction of the $^5_Λ$ He hypernucleus with high statistical significance and the efficient processing of hundreds of millions of heavy-ion collision events. In conclusion, its demonstrated scalability and robustness establish a model for future high-luminosity experiments requiring both online event filtering and rapid access to analysis-quality data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Development of prechamber enabled mixing-controlled combustion strategy for ultra-low methane emissions from lean burn natural gas engines

This numerical study explores the optimization of Prechamber Enabled Mixing-Controlled Combustion (PC-MCC) using natural gas in heavy-duty engines, aiming to enhance combustion efficiency to minimize methane slip and NOx emissions. The approach involves a prechamber ignition system, distinct from conventional spark ignition (SI) systems, to initiate combustion of direct injected natural gas. By leveraging the robust ignition characteristics of the prechamber, the PC-MCC method demonstrates significant potential in achieving efficient combustion akin to diesel engines but with lower greenhouse gas emissions. The research evaluates the effects of various geometric and operational parameters on the combustion process and emissions, including prechamber volume, nozzle diameter, direct injector (DI) geometry, and engine operating strategies. Computational Fluid Dynamics (CFD) simulations are utilized, focusing on a heavy-duty, single-cylinder engine modeled after the Caterpillar C9.3B engine. Key findings indicate that a prechamber volume of 3 cc, coupled with a nozzle diameter of 2.75 mm for two prechamber holes, strikes an optimal balance between combustion efficiency and emissions reduction. This configuration ensures robust combustion across a range of operating conditions while maintaining methane slip within targeted limits. Further investigation into DI geometry shows the significance of the injector umbrella angle and nozzle diameter in shaping the fuel-air mixing and combustion dynamics. An umbrella angle of 130° and a nozzle diameter of 300 microns are identified as optimal, promoting rapid and efficient combustion with minimized methane and NOx emissions. The study also investigates the impact of injection timing and pressure, highlighting their roles in controlling combustion timing and influencing emissions levels. Advanced injection timing is found to be crucial in achieving the desired low methane slip, whereas retarded injection timing assists to reduce NOx emissions while having a slight increase in methane emissions. Operating strategies incorporating various levels of Exhaust Gas Recirculation (EGR) are assessed for their effectiveness in further reducing emissions. The research demonstrates that a judicious combination of internal hot EGR and careful calibration of DI pressure and SOI timing can achieve significant reductions in NOx emissions while keeping methane slip under control. Specifically, an internal EGR level of 15%–25%, combined with DI pressures of 200–300 bar and injection timings at or after top dead center, is recommended. These findings contribute valuable insights into the development of advanced combustion techniques for natural gas engines, offering a viable pathway to reduce methane slip without compromising engine efficiency or performance. The PC-MCC system presents a promising solution for the future of heavy-duty natural gas engine technology to reduce methane emissions.

Nsaif, Osama↗

NASA NTRS1996

Accuracy Studies of a Magnetometer-Only Attitude-and-Rate-Determination System

A personal computer based system was recently prototyped that uses measurements from a three axis magnetometer (TAM) to estimate the attitude and rates of a spacecraft using no a priori knowledge of the spacecraft's state. Past studies using in-flight data from the Solar, Anomalous, and Magnetospheric Particles Explorer focused on the robustness of the system and demonstrated that attitude and rate estimates could be obtained accurately to 1.5 degrees (deg) and 0.01 deg per second (deg/sec), respectively, despite limitations in the data and in the accuracies of te truth models. This paper studies the accuracy of the Kalman filter in the system using several orbits of in-flight Earth Radiation Budget Satellite (ERBS) data and attitude and rate truth models obtained from high precision sensors to demonstrate the practical capabilities. This paper shows the following: Using telemetered TAM data, attitude accuracies of 0.2 to 0.4 deg and rate accuracies of 0.002 to 0.005 deg/sec (within ERBS attitude control requirements of 1 deg and 0.0005 deg/sec) can be obtained with minimal tuning of the filter; Replacing the TAM data in the telemetry with simulated TAM data yields corresponding accuracies of 0.1 to 0.2 deg and 0.002 to 0.005 deg/sec, thus demonstrating that the filter's accuracy can be significantly enhanced by further calibrating the TAM. Factors affecting the fillter's accuracy and techniques for tuning the system's Kalman filter are also presented.

Challa, M.↗

DOE OSTI2023

Encoding nonlinear and unsteady aerodynamics of limit cycle oscillations using nonlinear sparse Bayesian learning

This article investigates the applicability of a recently proposed, nonlinear sparse Bayesian learning (NSBL) algorithm to identify and estimate the complex aerodynamics of limit cycle oscillations. NSBL provides a semi-analytical framework for determining the data-optimal sparse model nested within a (potentially) over-parameterized model. This is particularly relevant to nonlinear dynamical systems where modelling approaches involve the use of physics-based and data-driven components. In such cases, the data-driven components, where analytical descriptions of the physical processes are not readily available, are often prone to overfitting, meaning that the empirical aspects of these models will often involve the calibration of an unnecessarily large number of parameters. While an overparameterized model may fit the observed data well, such models may be inadequate for making predictions in regimes that are different from those wherein the data were recorded. In view of this, it is desirable to not only calibrate the model parameters, but also identify the optimal compromise between data fit and model complexity. In this article, we exhibit the optimal model discovery for an aeroelastic system wherein the structural dynamics are well-known and described by a differential equation model, coupled with a semi-empirical aerodynamic model for laminar separation flutter, resulting in low-amplitude limit cycle oscillations (LCO). To illustrate the performance of the algorithm, in this article, we use synthetic data and demonstrate the ability of the algorithm to correctly rediscover the optimal model and model parameters, given a known data-generating model. The synthetic data are generated from a forward simulation of a known differential equation model with parameters selected so as to mimic the dynamics observed in wind-tunnel experiments. Subsequently, we demonstrate the performance of the algorithm for model selection using noisy LCO data from wind tunnel experiments. As there is no ground truth available for the experimental data case, we provide a comparison between NSBL and Bayesian model selection to validate the results, and demonstrate the use of NSBL as an efficient alternative to traditional methods.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Health Monitoring and Prognostics in Li-ion Batteries

Space applications need to overcome a very critical challenge of predicting remaining useful life of its critical systems/subsystems, with batteries being one of them. Batteries, power electronics conditioning system and motors and one of the most critical systems. Similarly in case of electric aircrafts, computing remaining flying time is safety-critical, since an aircraft that runs out of power (battery charge) while in the air will eventually lose control leading to catastrophe. To tackle and solve the prediction problem, it is essential to have awareness of the current state and health of the system, especially since it is necessary to perform condition-based predictions. To be able to accurately predict the future state of any system, it is required to possess knowledge of its current and future operations. Given models of the current and future system behavior, the general approach of model-based prognostics can be employed as a solution to the prior stated prediction problem. Two approaches are presented with battery prognostics application. The first approach presentation covers a physics based-modeling approach implemented for battery prognostics. Given models of the current and future system behavior, a general approach of model-based prognostics can be employed as a solution to the prediction problem and further for decision making. A second hybrid framework for fusing information from physics-based performance models along with deep learning algorithms for prognostics of complex safety critical systems i.e. batteries is presented. In this framework, physics-based performance models infer unobservable model parameters related to the system's components health solving a calibration problem in the deep learning approach.

Batteries↗

NASA NTRSDate not supplied

Health Monitoring and Prognostics in Li-ion Batteries

Battery Prognostics↗

DOE OSTI2020

Gamma ray Imaging Based Methods to Improve the Accuracy of Uranium Holdup Quantification

Deposits in commercial uranium processing facilities of interest to nuclear safeguards are predominantly low enriched uranium (LEU). The shapes and sizes of holdup deposits can vary significantly, thus making it difficult to model the deposits accurately for calibration purposes. This presents a challenge to currently employed methods such as the Generalized Geometry Holdup (GGH) that rely on quantifying 235U mass by simplifying deposit shapes as a point, a line, or an area. In this work, gamma ray imaging using high energy resolution Germanium Gamma Imagers (GeGI™) is employed to determine the distribution of uranium inside the source containment. Two types of imaging methods are employed; coded-aperture imaging and Compton imaging. Gamma-ray emissions seen in different regions of the image are quantified using an inverse gamma-ray transport solver being developed at ORNL. Using measured data, the inverse method will be used to solve for unknown source parameters such as source matrix thickness, density, and attenuation due to container wall and shielding. The intrinsic efficiency of the detector is determined based on a library of built-in response functions and key dimensions of the detector (e.g., thickness and radius of the detector crystal). Measurements are performed in both imaging modalities using uranium sources of well-known masses and enrichments configured inside mocked-up holdup fixtures. Results from the two imaging modalities are intercompared. The paper presents preliminary results of the imaging measurements and the progress made in the computational methods to quantify uranium mass.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2025

Bayesian calibration of irradiated graphite property models under high temperatures

Graphite under high temperatures and irradiation is central to advanced reactors. We develop a Bayesian calibration framework for graphite property models that explicitly represents model-data mismatch via a Gaussian-process discrepancy. The approach propagates uncertainty from parameters, experimental noise, and model form, with a hierarchical variance structure to capture group and cross-group noise. Using two predictive models across five grades (IG-110, NBG-18, PCEA, NBG-17, 2114) and four properties-irradiation-induced dimension change, creep, Young’s modulus change ratio, and coefficient of thermal expansion change ratio-we obtain average predictive-error reductions of 54%, 65%, 17%, and 17% when discrepancy is included. We illustrate engineering impact with a multiphysics model of a very-high-temperature reactor prismatic reflector brick, analyzing stresses under high fluence and temperature. Accounting for model discrepancy markedly improves predictive accuracy and provides a robust basis for reliable graphite component design in advanced reactors.

36 - MATERIALS SCIENCE↗

NASA NTRS2000

Atomic Data in X-Ray Astrophysics

With the launches of the Chandra X-ray Observatory (CXO) and the X-ray Multimirror Mission (XMM) and the upcoming launch of the Japanese mission ASTRO-E, high resolution X-ray spectroscopy of cosmic sources has begun. Early, deep observations of three stellar coronal sources will provide not only invaluable calibration data, but will also give us benchmarks for the atomic data under collisional equilibrium conditions. Analysis of the Chandra X-ray Observatory data, and data from other telescopes taken simultaneously, for these stars is ongoing as part of the Emission Line Project. Goals of the Emission Line Project are: (1) to determine and verify accurate and robust diagnostics and (2) to identify and prioritize issues in fundamental spectroscopy which will require further theoretical and/or laboratory work. The Astrophysical Plasma Emission Database will be described in some detail, as it is introducing standardization and flexibility into X-ray spectral modeling. Spectral models of X-ray astrophysical plasmas can be generally classified as dominated by either collisional ionization or by X-ray photoionization. While the atomic data needs for spectral models under these two types of ionization are significantly different, there axe overlapping data needs, as I will describe. Early results from the Emission Line Project benchmarks are providing an invaluable starting place, but continuing work to improve the accuracy and completeness of atomic data is needed. Additionally, we consider the possibility that some sources will require that both collisional ionization and photoionization be taken into account, or that time-dependent ionization be considered. Thus plasma spectral models of general use need to be computed over a wide range of physical conditions.

Brickhouse, N. S.↗

DOE OSTI2021

The PAU Survey: an improved photo- z sample in the COSMOS field

Here we present – and make publicly available – accurate and precise photometric redshifts in the ACS footprint from the COSMOS field for objects with i AB ≤ 23. The redshifts are computed using a combination of narrow-band photometry from PAUS, a survey with 40 narrow bands spaced at $100\,\mathring{\rm A}$ intervals covering the range from 4500 to $8500\,\mathring{\rm A}$, and 26 broad, intermediate, and narrow bands covering the UV, visible and near-infrared spectrum from the COSMOS2015 catalogue. We introduce a new method that models the spectral energy distributions as a linear combination of continuum and emission-line templates and computes its Bayes evidence, integrating over the linear combinations. The correlation between the UV luminosity and the $\mathrm{O\,{\small II}}$ line is measured using the 66 available bands with the zCOSMOS spectroscopic sample, and used as a prior which constrains the relative flux between continuum and emission-line templates. The flux ratios between the $\mathrm{O\,{\small II}}$ line and H α , H β and $\mathrm{O\,{\small III}}$ are similarly measured and used to generate the emission-line templates. Comparing to public spectroscopic surveys via the quantity Δ z ≡ (z photo – z spec )/(1 + z spec ), we find the photometric redshifts to be more precise than previous estimates, with σ 68 (Δ z ) ≈ (0.003, 0.009) for galaxies at magnitude i AB ~ 18 and i AB ~ 23, respectively, which is three times and 1.66 times tighter than COSMOS2015. Additionally, we find the redshifts to be very accurate on average, yielding a median of the Δ z distribution compatible with |median(Δ z )| ≤ 0.001 at all redshifts and magnitudes considered. Both the added PAUS data and new methodology contribute significantly to the improved results. The catalogue produced with the technique presented here is expected to provide a robust redshift calibration for current and future lensing surveys, and allows one to probe galaxy formation physics in an unexplored luminosity-redshift regime, thanks to its combination of depth, completeness, and excellent redshift precision and accuracy.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Modular Hydronic Room Conditioning System (CRADA NFE-24-10120 Final Report)

This project presents the development and validation of high-fidelity numerical models for fin-tube heat exchangers to enable accurate performance prediction and informed design optimization. The modeling framework integrates detailed geometric specifications, thermophysical property data, and system-level constraints to simulate the heat exchanger’s behavior under a range of operating conditions. The model is calibrated using real-world product specifications and validated against experimental data collected from controlled cooling and heating tests. In cooling mode, the model captures the overall trends in capacity and outlet air temperature but tends to underpredict latent effects, especially at lower air flow rates. In heating mode, the simulation consistently overestimates both the thermal capacity and outlet air temperature, indicating the need for refinement in air-side heat transfer assumptions. Despite these deviations, the model provides a solid foundation for optimization, allowing key design variables to be tuned within physical and performance-based constraints. This research advances the ability to simulate, validate, and optimize fin-tube heat exchanger designs with greater confidence and efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Calibrating a finite-strain phase-field model of fracture for bonded granular materials with uncertainty quantification

To study the mechanical behavior of mock high explosives, an experimental and simulation program was developed to calibrate, with quantified uncertainty, a material model of the bonded granular material Idoxuridine and nitroplasticized Estane-5703. This paper reports on the efficacy of such a framework as a generalizable methodology for calibrating material models against experimental data with uncertainty quantification. Additionally, this paper studies the effect of two manufacturing temperatures and three initial granular configurations on the unconfined compressive behavior of the resulting bonded granular materials. In each of these cases, the same calibration framework was used; in that, hundreds of high-fidelity direct numerical simulations using a new, graphics processing unit-enabled, high-performance finite element method software, Ratel, were run to calibrate a finite-strain phase-field fracture model against experimental data. It was found that manufacturing temperature influenced the elastic response of the mock high explosives, with higher temperatures yielding a stiffer response. By contrast, it was found that the initial configuration of the grains had a negligible impact on the overall behavior of the mock high explosives though it remains possible that local damage accumulation within the specimens could be altered by the initial configurations. Overall, the calibration framework was successful at creating well-calibrated models, showing its usefulness as an engineering and scientific tool.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Movement Models to Predict Low‐Altitude Flight of Soaring Birds Using Look‐Ahead Environmental Factors

Advances in fine-scale movement modeling of soaring birds can aid efforts to understand and resolve the impacts of anthropogenic activities on such birds. Soaring birds often rely on underlying terrain and low-altitude updrafts to govern their flights at rotor-swept altitudes (≤ 200 m above ground level), which puts them at risk of collision with wind turbines. We developed a data-driven Markov model at 1-s resolution that predicts the fine-scale flight behavior of golden eagles (Aquila chrysaetos) as a function of ecological covariates at the current location as well as those within an eagle's line of sight. We only considered ecological covariates that are readily available in real-time (ground elevation and wind conditions). Latent factors (age, sex, species, behavioral intent, migratory status) were intentionally left out of the model. We calibrated the model using golden eagle telemetry data collected in two different ecoregions of the United States. Given a starting location, the calibrated model simulates multiple stochastic 3D paths to produce a time-explicit and spatially explicit risk map of turbine collisions. We discovered an empirical relation between the rate of change of heading and the orographic updraft conditions within an eagle's line of sight. Our model performed most effectively when predicting predominantly-soaring flights at rotor-swept altitudes during wind conditions in which turbines are likely to be operational. The calibrated model could be used in concert with automated eagle detection and turbine curtailment technologies. Specifically, once an eagle is detected by those systems, our model could then provide accurate predictions of turbines the eagle is likely to interact with in the near term.

17 WIND ENERGY↗

DOE OSTI2020

Sensitivity of Thermal Predictions to Uncertain Surface Tension Data in Laser Additive Manufacturing

To understand the process-microstructure relationships in additive manufacturing (AM), it is necessary to predict the solidification characteristics in the melt pool. This study investigates the influence of Marangoni driven fluid flow on the predicted melt pool geometry and solidification conditions using a continuum finite volume model. A calibrated laser absorptivity was determined by comparing the model predictions (neglecting fluid flow) against melt pool dimensions obtained from single laser melt experiments on a nickel super alloy 625 (IN625) plate. Using this calibrated efficiency, predicted melt pool geometries agree well with experiments across a range of process conditions. When fluid mechanics is considered, a surface tension gradient recommended for IN625 tends to overpredict the influence of convective heat transfer, but the use of an intermediate value reported from experimental measurements of a similar nickel super alloy produces excellent experimental agreement. Despite its significant effect on the melt pool geometry predictions, fluid flow was found to have a small effect on the predicted solidification conditions compared to processing conditions. We find that this result suggests that under certain circumstances, a model only considering conductive heat transfer is sufficient for approximating process-microstructure relationships in laser AM. Extending the model to multiple laser passes further showed that fluid flow also has a small effect on the solidification conditions compared to the transient variations in the process. Furthermore, limitations of the current model and areas of improvement, including uncertainties associated with the phenomenological model inputs are discussed.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Quality metrics for sensor images

Methods are needed for evaluating the quality of augmented visual displays (AVID). Computational quality metrics will help summarize, interpolate, and extrapolate the results of human performance tests with displays. The FLM Vision group at NASA Ames has been developing computational models of visual processing and using them to develop computational metrics for similar problems. For example, display modeling systems use metrics for comparing proposed displays, halftoning optimizing methods use metrics to evaluate the difference between the halftone and the original, and image compression methods minimize the predicted visibility of compression artifacts. The visual discrimination models take as input two arbitrary images A and B and compute an estimate of the probability that a human observer will report that A is different from B. If A is an image that one desires to display and B is the actual displayed image, such an estimate can be regarded as an image quality metric reflecting how well B approximates A. There are additional complexities associated with the problem of evaluating the quality of radar and IR enhanced displays for AVID tasks. One important problem is the question of whether intruding obstacles are detectable in such displays. Although the discrimination model can handle detection situations by making B the original image A plus the intrusion, this detection model makes the inappropriate assumption that the observer knows where the intrusion will be. Effects of signal uncertainty need to be added to our models. A pilot needs to make decisions rapidly. The models need to predict not just the probability of a correct decision, but the probability of a correct decision by the time the decision needs to be made. That is, the models need to predict latency as well as accuracy. Luce and Green have generated models for auditory detection latencies. Similar models are needed for visual detection. Most image quality models are designed for static imagery. Watson has been developing a general spatial-temporal vision model to optimize video compression techniques. These models need to be adapted and calibrated for AVID applications.

Ahumada, AL↗

NASA NTRS2000

An Algorithm to Atmospherically Correct Visible and Thermal Airborne Imagery

The program Watts implements a system of physically based models developed by the authors, described elsewhere, for the removal of atmospheric effects in multispectral imagery. The band range we treat covers the visible, near IR and the thermal IR. Input to the program begins with atmospheric pal red models specifying transmittance and path radiance. The system also requires the sensor's spectral response curves and knowledge of the scanner's geometric definition. Radiometric characterization of the sensor during data acquisition is also necessary. While the authors contend that active calibration is critical for serious analytical efforts, we recognize that most remote sensing systems, either airborne or space borne, do not as yet attain that minimal level of sophistication. Therefore, Watts will also use semi-active calibration where necessary and available. All of the input is then reduced to common terms, in terms of the physical units. From this it Is then practical to convert raw sensor readings into geophysically meaningful units. There are a large number of intricate details necessary to bring an algorithm or this type to fruition and to even use the program. Further, at this stage of development the authors are uncertain as to the optimal presentation or minimal analytical techniques which users of this type of software must have. Therefore, Watts permits users to break out and analyze the input in various ways. Implemented in REXX under OS/2 the program is designed with attention to the probability that it will be ported to other systems and other languages. Further, as it is in REXX, it is relatively simple for anyone that is literate in any computer language to open the code and modify to meet their needs. The authors have employed Watts in their research addressing precision agriculture and urban heat island.

Rickman, Doug L.↗

DOE OSTI2026

Regularization via f -Divergence: An Application to Multi-Oxide Spectroscopic Analysis

In this paper, we explore the application of convolutional neural networks (CNNs) for predicting the chemical composition of complex geologic samples in a simulated Martian atmospheric environment. Specifically, we aim to characterize oxide weight percentages (wt.%) of rock samples analyzed by remote Laser-Induced Breakdown Spectroscopy (LIBS), framing the problem as a multi-target regression task . Neural networks trained on LIBS spectra are prone to overfitting due to high spectral complexity, limited labeled data, and measurement noise. While regularization is critical for improving generalization, common methods (e.g., ℓ 2 regularization) impose constraints not directly tied to data distribution properties. We propose a novel regularization method based on a specific ƒ-divergence induced by a graph-based estimator, designed to constrain the distributional discrepancy between predictions and targets. This regularizer serves a dual purpose: (a) mitigating overfitting by enforcing a constraint on the distributional difference between predictions and noisy targets, and (b) acting as an auxiliary loss that penalizes large divergences. To enable backpropagation, we develop a differentiable approximation of this particular ƒ-divergence, making the method feasible for neural networks. Experiments on ChemCam and SuperCam LIBS calibration spectra show that mathematical equation-divergence regularization outperforms or matches standard regularization methods (ℓ 1 , ℓ 2 , dropout) and the classical baseline, partial least squares (PLS). Combining ƒ-divergence regularization with standard regularization yields further performance gains, indicating that distributional regularization is useful in this context giving a promising direction for robust model training in planetary science applications. Source code is publicly available at Klein and Li (2025), https://doi.org/10.11578/dc.20250530.7.

58 GEOSCIENCES↗