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DOE OSTI2025

Data Quality Monitoring for the Hadron Calorimeters Using Transfer Learning for Anomaly Detection

The proliferation of sensors brings an immense volume of spatio-temporal (ST) data in many domains, including monitoring, diagnostics, and prognostics applications. Data curation is a time-consuming process for a large volume of data, making it challenging and expensive to deploy data analytics platforms in new environments. Transfer learning (TL) mechanisms promise to mitigate data sparsity and model complexity by utilizing pre-trained models for a new task. Despite the triumph of TL in fields like computer vision and natural language processing, efforts on complex ST models for anomaly detection (AD) applications are limited. In this study, we present the potential of TL within the context of high-dimensional ST AD with a hybrid autoencoder architecture, incorporating convolutional, graph, and recurrent neural networks. Motivated by the need for improved model accuracy and robustness, particularly in scenarios with limited training data on systems with thousands of sensors, this research investigates the transferability of models trained on different sections of the Hadron Calorimeter of the Compact Muon Solenoid experiment at CERN. The key contributions of the study include exploring TL’s potential and limitations within the context of encoder and decoder networks, revealing insights into model initialization and training configurations that enhance performance while substantially reducing trainable parameters and mitigating data contamination effects.

47 OTHER INSTRUMENTATION↗

NASA NTRSDate not supplied

Harnessing Large Language Models for Scientific Endeavors

The rapid proliferation of Large Language Models (LLMs) such as GPT, Bard, and Llama has revolutionized various sectors, including the scientific community. These models, with their potential to automate and augment tasks, are increasingly being recognized as both a valuable asset and a potential challenge in the realm of scientific research and data management. However, the current LLMs, primarily trained on general corpora, exhibit a limited understanding of scientific concepts and terminologies due to the lack of scientific corpus in their training data. Recognizing this gap, several groups are now advocating for the development of LLMs specifically tailored for scientific applications. A notable initiative in this direction is the Large Language Model effort initiated by NASA's CSDO. This endeavor aims to align LLM efforts across NASA’s Science Mission Directorate, develop a science-specific corpus and validation test set for model training, and create an encoder-only model for various downstream tasks. Moreover, the initiative also plans to develop a decoder-only model to explore the potential benefits and risks associated with a generative LLM for science. Lastly, the project aims to create a science evaluation suite, encompassing various categories of downstream scientific tasks, to serve as a benchmark for assessing the value of any LLM for future use. This presentation will provide an overview and current status of this ongoing initiative, highlighting its potential to reshape the use of LLMs in the scientific domain.

Rahul Ramachandran↗

NASA NTRS2024

Artificial Intelligence Medical Support for Long-Duration Space Missions

We envision an artificial intelligence (AI) based system that will provide support and recommendations to the crew medical officer (CMO) and ground flight surgeon during long-duration space missions. Such a system would be pretrained on the knowledgebase of clinical knowledge on Earth, minimizing the amount of Earth data that needs to be transferred into space. Then during deployment, the system would be constantly refined through active learning from diverse streams of data from sensors in the spacecraft, data collected daily from individual astronauts, and human-in-the-loop feedback from the crew. The model could be interrogated for predictions and recommendations on personalized crew health based on the overall status of the spacecraft, medicinal stores, and status of other crew members. Adaptation techniques would be used to incorporate spaceflight data that have very different distributions from the training data due to the extreme environment. Edge computing and the most advanced neuromorphic processing would enable computation in scenarios with low power and bandwidth, while dimensionality reduction would be employed to ensure that the input data streams from spaceflight are as small as possible. In order to realize this long-term vision, several hardware and software aspects need to be developed and assembled. First, models pretrained on Earth biomedical data would need to be evaluated for predictive accuracy, and the best one selected. That model would need to be adapted to learn from diverse, sparse, and inconsistently measured data streams, as well as human-in-the-loop feedback. A data integration, standardization, and dimensionality reduction methodology would need to be developed to handle all data types and feed them into the model. Once the software and data infrastructure is developed, it would need to be integrated with small footprint compute processors and tested in high-radiation, high-vibration, unregulated temperature situations. As a short-term goal, we recommend to focus on the development of the data and model software structure. Several large language models (LLM) already exist that have been trained on Earth biomedical and clinical knowledgebases, including BioMedLLM, Med-PaLM, SPOKE LLM, and Foresight. These models need to be evaluated for accuracy and the best one chosen for a proof-of-concept structure, while maintaining awareness of the accelerating AI field and incorporating any newly improved model architectures as needed. Then, we recommend to develop a database of synthetic data types to mimic the diverse data streams that are expected in a long-duration space mission. This should include environmental and microbial data from the spacecraft, non-invasive data from wearables and point-of-care devices employed by astronauts, and more invasive molecular and physiological monitoring of clinical and biomarker data from astronauts. The data standardization methodology should be developed, and these data streams used to refine the clinical LLM. Several scenarios should be developed that could plausibly come up in a long-duration space mission, and changes or aberrations introduced to the data at specific times to mimic these scenarios. Then, question and answer tasks should be designed to interrogate the model for predictions and recommendations, with acceptable answers already identified.

Artificial Intelligence↗

DOE OSTI2025

Projection-based multifidelity linear regression for data-scarce applications

Surrogate modeling for systems with high-dimensional quantities of interest remains challenging, particularly when training data are costly to acquire. This work develops multifidelity methods for multiple-input multiple-output linear regression targeting data-limited applications with high-dimensional outputs. Multifidelity methods integrate many inexpensive low-fidelity model evaluations with limited, costly high-fidelity evaluations. We introduce two projection-based multifidelity linear regression approaches with linear and nonlinear features that leverage principal component basis vectors for dimensionality reduction and combine multifidelity data through: (i) a direct data augmentation using low-fidelity data, and (ii) a data augmentation incorporating explicit linear corrections between low-fidelity and high-fidelity data. The data augmentation approaches combine high-fidelity and low-fidelity data into a unified training set and train the linear regression model through weighted least squares with fidelity-specific weights. We introduce a proximity-based weighting scheme with automatic weight selection strategy through cross-validation. Here, the proposed multifidelity linear regression methods are demonstrated on approximating the surface pressure field of a hypersonic vehicle in flight and the temperature field on an aircraft disc braking system. In an ultra low-data regime of no more than twelve high-fidelity samples, multifidelity linear regression achieves approximately 2% – 12% improvement in median accuracy and a higher R 2 score relative to single-fidelity methods at comparable computational cost.

data augmentation↗

NASA NTRS2018

Water Across Synthetic Aperture Radar Data (WASARD): SAR Water Body Classification for the Open Data Cube

The detection of inland water bodies from Synthetic Aperture Radar (SAR) data provides a great advantage over water detection with optical data, since SAR imaging is not impeded by cloud cover. Traditional methods of detecting water from SAR data involves using thresholding methods that can be labor intensive and imprecise. This paper describes Water Across Synthetic Aperture Radar Data (WASARD): a method of water detection from SAR data which automates and simplifies the thresholding process using machine learning on training data created from Geoscience Australia’s WOFS algorithm. Of the machine learning models tested, the Linear Support Vector Machine was determined to be optimal, with the option of training using solely the VH polarization or a combination of the VH and VV polarizations. WASARD was able to identify water in the target area with a correlation of 97% with WOFS. Sentinel-1, Open Data Cube, Earth Observations, Machine Learning, Water Detection 1. INTRODUCTION Water classification is an important function of Earth imaging satellites, as accurate remote classification of land and water can assist in land use analysis, flood prediction, climate change research, as well as a variety of agricultural applications [2]. The ability to identify bodies of water remotely via satellite is immensely cheaper than contracting surveys of the areas in question, meaning that an application that can accurately use satellite data towards this function can make valuable information available to nations which would not be able to afford it otherwise. Highly reliable applications for the remote detection of water currently exist for use with optical satellite data such as that provided by LANDSAT. One such application, Geoscience Australia’s Water Observations from Space (WOFS) has already been ported for use with the Open Data Cube [6]. However, water detection using optical data from Landsat is constrained by its relatively long revisit cycle of 16 days [5], and water detection using any optical data is constrained in that it lacks the ability to make accurate classifications through cloud cover [2]. The alternative solution which solves these problems is water detection using SAR data, which images the Earth using cloud-penetrating microwaves. Because of its advantages over optical data, much research has been done into water detection using SAR data. Traditionally, this has been done using the thresholding method, which involves picking a polarization band and labeling all pixels for which this band’s value is below a certain threshold as containing water. The thresholding method works since water tends to return a much lower backscatter value to the satellite than land [1]. However, this method can be flawed since estimating the proper threshold is often imprecise, complicated, and labor intensive for the end user. Thresholding also tends to use data from only one SAR polarization, when a combination of polarizations can provide insight into whether water is present. [2] In order to alleviate these problems, this paper presents an application for the Open Data Cube to detect water from SAR data using support vector machine (SVM) classification. 2. PLATFORM WASARD is an application for the Open Data Cube, a mechanism which provides a simple yet efficient means of ingesting, storing, and retrieving remote sensing data. Data can be ingested and made analysis ready according to whatever specifications the researcher chooses, and easily resampled to artificially alter a scene’s resolution. Currently WASARD supports water detection on scenes from ESA’s Sentinel-1 and JAXA’s ALOS. When testing WASARD, Sentinel-1 was most commonly used due to its relatively high spatial resolution and its rapid 6 day revisit cycle [5]. With minor alterations to the application's code, however, it could support data from other satellites. 3. METHODOLOGY Using supervised classification, WASARD compares SAR data to a dataset pre-classified by WOFS in order to train an SVM classifier. This classifier is then used to detect water in other SAR scenes outside the training set. Accuracy was measured according to the following metrics:  Precision: a measure of what percentage of the points WASARD labels as water are truly water  Recall: a measure of what percentage of the total water cover WASARD was able to identify.  F1 Score: a harmonic average of the precision and recall scores Both precision and recall are calculated at the end of the training phase, when the trained classifier is compared to a testing dataset. Because the WOFS algorithm’s classifications are used as the truth values when training a WASARD classifier, when precision and recall are mentioned in this paper, they are always with respect to the values produced by WOFS on a similar scene of Landsat data, which themselves have a classification accuracy of 97% [6]. Visual representations of water identified by WASARD in this paper were produced using the function wasard_plot(), which is included in WASARD. 3.1 Algorithm Selection The machine learning model used by WASARD is the Linear Support Vector Machine (SVM). This model uses a supervised learning algorithm to develop a classifier, meaning it creates a vector which can be multiplied by the vector formed by the relevant data bands to determine whether a pixel in a SAR scene contains water. This classifier is trained by comparing data points from selected bands in a SAR scene to their respective labels, which in this case are “water” or “not water” as given by the WOFS algorithm. The SVM was selected over the Random Forest model, which outperformed the SVM in training speed, but had a greater classification time and lower accuracy, and the Multilayer Perceptron Artificial Neural Network, which had a slightly higher average accuracy than the SVM, but much greater training and classification times. Figure 1: Visual representation of the SVM Classifier. Each white point represents a pixel in a SAR scene. In Figure 1, the diagonal line separating pixels determined to be water from those determined not to be water represents the actual classification vector produced by the SVM. It is worth noting that once the model has been trained, classification of pixels is done in a similar manner as in the thresholding method. This is especially true if only one band was used to train the model. 3.1 Feature Selection Sentinel-1 collects data from two bands: the Vertical/Vertical polarization (VV) and the Vertical/Horizontal polarization (VH). When 100 SVM classifiers were created for each polarization individually, and for the combination of the two, the following results were achieved: Figure 2: Accuracy of classifiers trained using different polarization bands. Precision and Recall were measured with respect to the values produced by WOFS. Figure 2 demonstrates that using both the VV and VH bands trades slightly lower recall for significantly greater precision when compared with the VH band alone, and that using the VV band alone is inferior in both metrics. WASARD therefore defaults to using both the VV and VH bands, and includes the option to use solely the VH band. The VV polarization’s lower precision compared to the VH polarization is in contrast to results from previous research and may merit further analysis [4]. 3.2 Training a Classifier The steps in training a classifier with WASARD are 1. Selecting two scenes (one SAR, one optical) with the same spatial extents, and acquired close to each other in time, with a preference that the scenes are taken on the same day. 2. Using the WOFS algorithm to produce an array of the detected water in the scene of optical data, to be used as the labels during supervised learning 3. Data points from the selected bands from the SAR acquisition are bundled together into an array with the corresponding labels gathered from WOFS. A random sample with an equal number of points labeled “Water” and “Not Water” is selected to be partitioned into a training and a testing dataset 4. Using Scikit-Learn’s LinearSVC object, the training dataset is used to produce a classifier, which is then tested against the testing dataset to determine its precision and recall The result is a wasard_classifier object, which has the following attributes: 1. f1, recall, and precision: 3 metrics used to determine the classifier’s accuracy 2. Coefficient: Vector which the SVM uses to make its predictions. The classifier detects water when the dot product of the coefficient and the vector formed by the SAR bands is positive 3. Save(): allows a user to save a classifier to the disk in order to use it without retraining 4. wasard_classify(): Classifies an entire xarray of SAR data using the SVM classifier All of the above steps are performed automatically when the user creates a wasard_classifier object. 3.3 Classifying a Dataset Once the classifier has been created, it can be used to detect water in an xarray of SAR data using wasard_classify(). By taking the dot product of the classifier’s coefficients and the vector formed by the selected bands of SAR data, an array of predictions is constructed. A classifier can effectively be used on the same spatial extents as the ones where it was trained, or on any area with a similar landscape. While

Kreiser, Zachary↗

DOE OSTI2025

ChemEcho v1.0

ChemEcho is a tool that converts tandem mass spectra into embeddings used to build machine learning (ML) models with fully explainable predictions. It provides an API for transforming raw tandem mass spectral data into embeddings, along with functions for training and validating ML models. Additionally, it includes utilities for retrieving and cleaning training data. ChemEcho is broadly applicable in ML pipelines that use tandem mass spectra for a variety of tasks, such as chemical classification or bioactivity mining. While there are existing methods to generate embeddings from fragmentation data, ChemEcho's approach ensures that predictions remain interpretable, enabling experts to evaluate results and generate hypotheses about the underlying data.

Harwood, Thomas [Lawrence Berkeley National Labora↗

NASA NTRS1982

The evaluation of a semi-automated procedure for classifying corn and soybeans without ground data

Since the launch of Landsat 1 in 1973, research has been conducted with the objective to develop technology which would make it possible to achieve large area crop estimates on the basis of Landsat Multispectral Sensor (MSS) data without the benefit of ground observed training data. The present investigation is concerned with the evaluation of a technology which was developed to produce estimates of corn and soybean acreage in the central U.S. Corn Belt (Iowa, Illinois, and Indiana). A description of the employed technique is provided and details regarding the test of the developed technology are discussed. The obtained results show that considerable progress has been made toward creating an automatic, self-adapting procedure which has favorable bias and variance characteristics.

Metzler, M. D.↗

NASA NTRS1983

The role of spatial, spectral and radiometric resolution on information content

The results of a factorial experiment to evaluate the effects of spatial, spectral, and radiometric resolution on training-data spectral separability and classification accuracy are reported. Aircraft scanner data from five flightlines at 19.8 km over California including croplands, rangeland, forest, water, and urban areas were systematically degraded over a range approximately from Landsat MSS to Thematic Mapper specifications. Reference data were collected on the ground and from aerial photography. The degradations, training-site delineation, data-analysis procedures, and accuracy-assessment techniques are described; the results are presented in tables and graphs and discussed. It is found that while accuracy was increased by higher spectral resolution in 70 percent of the cases and uniformly by increased radiometric resolution, it was decreased by higher spatial resolution. This phenomenon is attributed to classification methods.

Buis, J. S.↗

NASA NTRS1990

Rocket engine diagnostics using neural networks

Two problems in applying neural networks to fault detection and identification are (1) the complexity of the sensor data to fault mapping and (2) the lack of sufficient training data. Here, methods are derived and tested in an architecture which addresses these two problems. First, the sensor data to fault mapping is decomposed into three simpler mappings which perform sensor data compression, hypothesis generation, and sensor fusion. Efficient training is performed for each mapping separately. Second, the neural network which performs sensor fusion is structured to detect new unknown faults for which training examples were not presented. These methods were tested on a task of fault detection and identification in the Space Shuttle Main Engine (SSME). Results indicate that the decomposed neural network architecture can be trained efficiently, can identify faults for which it has been trained, and can detect the occurrence of faults for which it has not been trained.

Whitehead, Bruce A.↗

DOE OSTI2024

The Evaluation of Machine Learning Techniques for Isotope Identification Contextualized by Training and Testing Spectral Similarity

Precise gamma-ray spectral analysis is crucial in high-stakes applications, such as nuclear security. Research efforts toward implementing machine learning (ML) approaches for accurate analysis are limited by the resemblance of the training data to the testing scenarios. The underlying spectral shape of synthetic data may not perfectly reflect measured configurations, and measurement campaigns may be limited by resource constraints. Consequently, ML algorithms for isotope identification must maintain accurate classification performance under domain shifts between the training and testing data. To this end, four different classifiers (Ridge, Random Forest, Extreme Gradient Boosting, and Multilayer Perceptron) were trained on the same dataset and evaluated on twelve other datasets with varying standoff distances, shielding, and background configurations. A tailored statistical approach was introduced to quantify the similarity between the training and testing configurations, which was then related to the predictive performance. Wilcoxon signed-rank tests revealed that the OVR-wrapped XGB significantly outperformed the other algorithms, with confidence levels of 99.0% or above for the 133Ba, 60Co, 137Cs, and 152Eu sources. The findings from this work are significant as they outline techniques to promote the development of robust ML-based approaches for isotope identification.

domain adaptation↗

NASA NTRS2017

GES DISC Datalist Improves Earth Science Data Discoverability

At American Geophysical Union(AGU) 2016 Fall Meeting, Goddard Earth Sciences Data Information Services Center (GES DISC) unveiled a novel way to access data: Datalist. Currently, datalist is a collection of predefined data variables from one or more archived datasets, curated by our subject matter expert (SME). Our science support team has curated a predefined Hurricane Datalist and received very positive feedback from the user community. Datalist uses the same architecture our new website uses and have the same look and feel as other datasets on our web site. and also provides a one-stop shopping for data, metadata, citation, documentation, visualization and other available services. Since the last AGU Meeting, we have further developed a few new datalists corresponding to the Big Earth Data Initiative (BEDI) Societal Benefit Areas and A-Train data. We now have four datalists: Hurricane, Wind Energy, Greenhouse Gas and A-Train. We have also started working with our User Working Group members to create their favorite datalists and working with other DAAC to explore the possibility to include their products in our datalists that may also lead to a future of potential federated (cross-DAAC) datalists. Since our datalist prototype effort was a success, we are planning to make datalist operational. It's extremely important to have a common metadata model to support datalist, this will also be the foundation of federated datalist. We mapped our datalist metadata model to the unpublished UMM(Universal Metadata Model)-Var (Variable) (June version) and found that the UMM-var together with UMM-C (Collection) and possible UMM-S (Service) will meet our basic requirements. For example: Dataset shortname, and version are already specified in UMM-C, variable name, long name, units, dimensions are all specified in UMM-Var. UMM-Var also facilitates Science Keywords to allow tagging at variable level and Characteristics for optional variable characteristics. Measurements is useful for grouping of the variables and Set is promising to define datalist. And finally, the UMM-Service model to specify the available services for the variable will be very beneficial. In summary, UMM-Var, UMM-C and UMM-S are the basis of federated datalist and the development and deployment of datalist will contribute to the evolution of the UMM.

datalist↗

DOE OSTI2026

Xanthos-Lake Dataset

The Xanthos-Lake v1.0 dataset provides the input data, trained machine-learning models, and simulation outputs needed to characterize lake water balance, snow and ice conditions, and mixing-layer temperature within the Xanthos global hydrological modeling framework. The dataset supports lake representation across a wide range of lake sizes and hydroclimatic conditions by combining xLSIM, a basin-specific machine-learning emulator of lake snow, ice, ice-cover fraction, and mixing-layer temperature, with the Xanthos-Lake water-balance model. The archive contains NetCDF datasets used to train and evaluate xLSIM, trained model weights, processed meteorological and lake-property inputs, and basin- and lake-category-specific simulation outputs. These materials are organized into four primary data groups, described below. Snowice_model_inputs: Contains the NetCDF input data used to train xLSIM. The xLSIM machine-learning framework uses three lake-based datasets. The meteorological forcing dataset provides monthly relative humidity, specific humidity, surface wind speed, maximum and minimum air temperature, downward longwave and shortwave radiation, snowfall, surface air pressure, and total precipitation. Lake surface area is included as an additional static predictor. The target-state dataset provides lake ice thickness, snow depth, snow cover, and lake mixing-layer temperature, while a companion lake-surface dataset provides the lake ice-cover fraction. Before training, ice thickness and snow depth are converted from meters to centimeters, mixing-layer temperature is converted from kelvin to degrees Celsius and constrained to nonnegative values, and ice-cover fraction is converted from a fraction to a percentage. The predictor variables are normalized using statistics calculated across the selected lakes and time steps. Snowice_model_outputs: Contains the NetCDF outputs generated by xLSIM. For each basin, xLSIM produces a file containing observed and predicted lake-state variables for the training, validation, and testing periods. The modeled variables include lake ice thickness, snow depth, snow cover, mixing-layer temperature, and lake ice-cover fraction. For basins without a sufficiently persistent snow-and-ice signal, the emulator predicts only mixing-layer temperature. The outputs also include training and validation loss histories, the selected model configuration, identifiers of the lakes used in training, and SHAP-based feature-importance information at the global, lake, and seasonal-regime levels. The trained machine-learning model weights are provided separately within the dataset archive. Together, these files support model evaluation and subsequent coupling with the Xanthos-Lake water-balance framework. XanthosLAKES: Contains the NetCDF input data used by the Xanthos-Lake framework. Monthly meteorological inputs include relative and specific humidity, downward shortwave and longwave radiation, mean, maximum, and minimum air temperature, wind speed, precipitation, snowfall, and surface air pressure. Static lake-property datasets provide lake identifiers, geographic locations, surface area, volume, mean depth, elevation, drainage area, fetch, outlet-routing information, and associated Xanthos grid-cell attributes. Separate bathymetric datasets provide the coefficients of the area–depth and volume–depth relationships for each aggregated lake unit. GLEV-based records provide observed lake surface area and evaporation data used to initialize lake states, define reference conditions, and calibrate and evaluate the model. Xanthos-Lake Outputs: Contains the basin- and lake-category-specific NetCDF outputs generated by Xanthos-Lake. Monthly variables include lake surface area, storage volume, outlet discharge, evaporation rate, evaporation volume, lake–groundwater exchange, lake inflow, ice thickness, snow depth, snow-cover fraction, ice-cover fraction, and mixing-layer temperature. The files also contain lake-specific calibration and validation statistics, including normalized root-mean-square error, mean absolute error, Nash–Sutcliffe efficiency, Kling–Gupta efficiency, and percent bias. Stored calibrated and derived parameters include the weir discharge coefficient, fractional freeboard, groundwater exchange coefficient, reference water level, corresponding reference surface area and storage volume, weir-width adjustment factor, and the fraction of routed inflow entering the lake. Basin identifiers, lake category, simulation period, calibration and validation periods, and parameter-schema information are retained as NetCDF metadata.

Abeshu, Guta [Pacific Northwest National Laborator↗

DOE OSTI2024

Contrastive Machine Learning with Gamma Spectroscopy Data Augmentations for Detecting Shielded Radiological Material Transfers

Data analysis techniques can be powerful tools for rapidly analyzing data and extracting information that can be used in a latent space for categorizing observations between classes of data. Machine learning models that exploit learned data relationships can address a variety of nuclear nonproliferation challenges like the detection and tracking of shielded radiological material transfers. The high resource cost of manually labeling radiation spectra is a hindrance to the rapid analysis of data collected from persistent monitoring and to the adoption of supervised machine learning methods that require large volumes of curated training data. Instead, contrastive self-supervised learning on unlabeled spectra can enhance models that are built on limited labeled radiation datasets. This work demonstrates that contrastive machine learning is an effective technique for leveraging unlabeled data in detecting and characterizing nuclear material transfers demonstrated on radiation measurements collected at an Oak Ridge National Laboratory testbed, where sodium iodide detectors measure gamma radiation emitted by material transfers between the High Flux Isotope Reactor and the Radiochemical Engineering Development Center. Label-invariant data augmentations tailored for gamma radiation detection physics are used on unlabeled spectra to contrastively train an encoder, learning a complex, embedded state space with self-supervision. A linear classifier is then trained on a limited set of labeled data to distinguish transfer spectra between byproducts and tracked nuclear material using representations from the contrastively trained encoder. The optimized hyperparameter model achieves a balanced accuracy score of 80.30%. Any given model—that is, a trained encoder and classifier—shows preferential treatment for specific subclasses of transfer types. Regardless of the classifier complexity, a supervised classifier using contrastively trained representations achieves higher accuracy than using spectra when trained and tested on limited labeled data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

An adaptive and stability-promoting layerwise training approach for sparse deep neural network architecture

This work presents a two-stage adaptive framework for progressively developing deep neural network (DNN) architectures that generalize well for a given training data set. In the first stage, a layerwise training approach is adopted where a new layer is added each time and trained independently by freezing parameters in the previous layers. We impose desirable structures on the DNN by employing manifold regularization, sparsity regularization, and physics-informed terms. We introduce a ε – δ – stability-promoting concept as a desirable property for a learning algorithm and show that employing manifold regularization yields a ε – δ stability-promoting algorithm. Further, we also derive the necessary conditions for the trainability of a newly added layer and investigate the training saturation problem. In the second stage of the algorithm (post-processing), a sequence of shallow networks is employed to extract information from the residual produced in the first stage, thereby improving the prediction accuracy. Numerical investigations on prototype regression and classification problems demonstrate that the proposed approach can outperform fully connected DNNs of the same size. Moreover, by equipping the physics-informed neural network (PINN) with the proposed adaptive architecture strategy to solve partial differential equations, we numerically show that adaptive PINNs not only are superior to standard PINNs but also produce interpretable hidden layers with provable stability. As a result, we also apply our architecture design strategy to solve inverse problems governed by elliptic partial differential equations.

42 ENGINEERING↗

DOE OSTI2025

Learning broken symmetries with approximate invariance

Recognizing symmetries in data allows for significant boosts in neural network training, which is especially important where training data are limited. In many cases, however, the exact underlying symmetry is present only in an idealized dataset, and is broken in actual data, due to asymmetries in the detector, or varying response resolution as a function of particle momentum. Standard approaches, such as data augmentation or equivariant networks fail to represent the nature of the full, broken symmetry, effectively overconstraining the response of the neural network. We propose a learning model which balances the generality and asymptotic performance of unconstrained networks with the rapid learning of constrained networks. This is achieved through a dual-subnet structure, where one network is constrained by the symmetry and the other is not, along with a learned symmetry factor. In a simplified toy example that demonstrates violation of Lorentz invariance, our model learns as rapidly as symmetry constrained networks but escapes its performance limitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Linking Threat Agents to Targeted Organizations: A Pipeline for Enhanced Cybersecurity Risk Metrics

In this study, we present a methodology leveraging Large Language Models (LLMs) to transform Cybersecurity Threat Intelligence (CTI) narratives into actionable insights for individual organizations. Our approach automates the extraction of machine-readable adversary SKRAM (Skills, Knowledge, Resources, Authorities, and Motivation) attributes from open-source reports, extending LLM utility beyond typical interactions. This innovation enables precise, automated assessments of cybersecurity risks posed by various adversaries. Using a chain-of-thought and multi-shot prompting strategy, our methodology advances the automation of cybersecurity feature extraction for new machine-learning models that predict the risk of adversary targeting. This approach is refined using a substantial dataset of over 150 analyst-validated threat reports and synthetic organizational data from 900 companies. Here, by bootstrapping the training data with a rule-based heuristic over synthetic data, we have developed a high-accuracy machine-learning model that allows entities to dynamically prioritize threats and defensive actions.

Cyber Threat Intelligence↗

DOE OSTI2024

Targeted Biomining and Machine Learning Approaches in Critical Minerals Revealed by a Biogeochemical Survey of a Coal Mine Drainage Remediation System

Abandoned coal mine drainage (AMD) remediation systems in Pennsylvania can concentrate critical minerals and materials (CMM) at levels comparable to mining-grade ores. Remediation systems have varying engineering features and are open to the environment, resulting in diverse microbial colonization and seasonal climate influences that may impact CMM speciation. The location of CMMs, the types of bacterial communities tolerant of these pollutant conditions, and the influence of localized climate on CMM rich remediation systems are not well characterized. Through a one-year spatiotemporal survey of biogeochemistry at a remediation system, we have initiated the process to address these questions. Rare Earth Elements (REE) ranged 180-1,200 ppm and greater than 1,500 bacterial ASVs were classified via 16S sequencing. Analyses indicate biogeochemical differences are heavily influenced by engineering features. Additionally, REE precipitants correlate strongly with the elements Al, Cu, Zn, Be, and U. Unearthing these trends has refined our line of inquiry to explore biological mining opportunities more closely with these metals. Furthermore, we created a Machine Learning Model for predicting AMD REE content, with 89% accuracy, using the data from this study and several others. Further training data is required to create a more reputable model. Recently, global research efforts have prioritized modeling work or the use of the few historical surveys to design experiments. Through our data, we challenge this approach, emphasizing the importance of expanding fundamental survey efforts prior to advanced product design and experimentation.

critical minerals↗

NASA NTRS1990

Training effectiveness of an intelligent tutoring system for a propulsion console trainer

A formative evaluation was conducted on an Intelligent Tutoring System (ITS) developed for tasks performed on the Propulsion Console. The ITS, which was developed primarily as a research tool, provides training on use of the Manual Select Keyboard (MSK). Three subjects completed three phases of training using the ITS: declarative, speed, and automaticity training. Data were collected on several performance dimensions, including training time, number of trials performed in each training phase, and number of errors. Information was also collected regarding the user interface and content of training. Suggestions for refining the ITS are discussed. Further, future potential uses and limitations of the ITS are discussed. The results provide an initial demonstration of the effectiveness of the Propulsion Console ITS and indicate the potential benefits of this form of training tool for related tasks.

Johnson, Debra Steele↗