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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A Semi-supervised Hybrid Machine Learning Framework for the Qualification of Resistance Spot Welds

• Industries requiring high structural integrity, including automotive, aerospace, and construction, place considerable significance on weld quality classification. • The inspection normally involves human expertise through predefined quality metrics that are subjective, error-prone, and time-intensive • The challenge to classification model development is the scarcity of labeled data and imbalanced distributions in the data that are labeled. • This work develops a new hybrid methodology that achieves clustering using KMeans++ together with supervised classification to overcome these challenges. • The ensemble-based classifiers were identified as optimal, with accuracy enhancements of up to 8% using the pseudo-labeled dataset. • The work provides practical insight into feature engineering and machine learning integration in industrial quality assurance applications.

Rogers, Jeremy K. [Savannah River National Laborat↗
NASA NTRS1987

Discriminating semiarid vegetation using airborne imaging spectrometer data - A preliminary assessment

A preliminary assessment was made of Airborne Imaging Spectrometer (AIS) data for discriminating and characterizing vegetation in a semiarid environment. May and October AIS data sets were acquired over a large alluvial fan in eastern California, on which were found Great Basin desert shrub communities. Maximum likelihood classification of a principal components representation of the May AIS data enabled discrimination of subtle spatial detail in images relating to vegetation and soil characteristics. The spatial patterns in the May AIS classification were, however, too detailed for complete interpretation with existing ground data. A similar analysis of the October AIS data yielded poor results. Comparison of AIS results with a similar analysis of May Landsat Thematic Mapper data showed that the May AIS data contained approximately three to four times as much spectrally coherent information. When only two shortwave infrared TM bands were used, results were similar to those from AIS data acquired in October.

Thomas, Randall W.↗
NASA NTRS1981

Lake classification in Vermont

In order to comply with the Federal Clean Water Act and, in so doing, develop a procedure to periodically update the classification, the State of Vermont evaluated the ability of LANDSAT to detect general water quality and specific water quality parameters in Vermont lakes. Unsupervised and supervised classifications as well as regression analyses were used to examine LANDSAT data from Lake Champlain and from four small nearby lakes. Unsupervised and supervised classifications were found to be of somewhat limited value. Regression analyses revealed a good correlation between depth-integrated total phosphorus concentrations and LANDSAT band 4 data (r2= 0.92) and between Secchi disk transparencies and LANDSAT band 4 data (r2 - 0.85). No correlation was found between depth-integrated chlorophyll-a samples and LANDSAT data. Vermont is expanding this LANDSAT evaluation to include the remaining lakes in the state greater than twenty acres and steps are being taken to incorporate LANDSAT into the state's ongoing water quality monitoring programs.

Garrison, V.↗
NASA NTRS2006

Terrain-Moisture Classification Using GPS Surface-Reflected Signals

In this study we present a novel method of land surface classification using surface-reflected GPS signals in combination with digital imagery. Two GPS-derived classification features are merged with visible image data to create terrain-moisture (TM) classes, defined here as visibly identifiable terrain or landcover classes containing a surface/soil moisture component. As compared to using surface imagery alone, classification accuracy is significantly improved for a number of visible classes when adding the GPS-based signal features. Since the strength of the reflected GPS signal is proportional to the amount of moisture in the surface, use of these GPS features provides information about the surface that is not obtainable using visible wavelengths alone. Application areas include hydrology, precision agriculture, and wetlands mapping.

Grant, Michael S.↗
NASA NTRS2007

Mars Exploration Rovers Entry, Descent, and Landing Trajectory Analysis

In this study we present a novel method of land surface classification using surface-reflected GPS signals in combination with digital imagery. Two GPS-derived classification features are merged with visible image data to create terrain-moisture (TM) classes, defined here as visibly identifiable terrain or landcover classes containing a surface/soil moisture component. As compared to using surface imagery alone, classification accuracy is significantly improved for a number of visible classes when adding the GPS-based signal features. Since the strength of the reflected GPS signal is proportional to the amount of moisture in the surface, use of these GPS features provides information about the surface that is not obtainable using visible wavelengths alone. Application areas include hydrology, precision agriculture, and wetlands mapping.

Desai, Prasun N.↗
DOE OSTI2026

Evaluating Limits of Machine Learning-Assisted Raman Spectroscopy in Classification of Biological Samples

Machine learning (ML)-assisted Raman spectroscopy has become a powerful analytical tool for the classification and identification of analytes; however, technical challenges impacting its detection accuracy have not been thoroughly investigated. This study explores experimental factors affecting classification performance. Among the evaluated ML models, ML algorithms show minimal impact on classification accuracy. Instead, experimental factors, including spectral similarity between tested samples and data quality, dominate detection performance. Increases in spectral noise and spectral similarity significantly reduce classification accuracy. In well-controlled samples with low experimental noise, ML-assisted Raman spectroscopy can discriminate lipid mixtures with a composition difference of 1.85 mol %. To assess the effect of biological heterogeneity, we analyzed single-cell Raman spectra from Saccharomyces cerevisiae strains carrying single, double, or triple gene mutations. Intrinsic cell-to-cell variability introduced substantial spectral differences, severely reducing the accuracy of multiclass classification of these genetically similar strains at the single-cell level. Averaging Raman spectra across multiple cells improved classification accuracy by reducing this spectral variability. We also assess the effectiveness of transfer learning across different Raman spectrometers, specifically by applying an ML model trained on one instrument to another Raman spectrometer. Transfer learning can be improved with proper instrument calibration, highlighting the importance of instrument standardization. Overall, our results demonstrate that data quality and spectral similarity are the primary bottlenecks in ML-assisted Raman spectroscopy. Careful attention to sample preparation, data acquisition, measurement conditions, and instrument calibration is critical to achieving robust and reliable classification performance.

Fungi↗
DOE OSTI2022

Classifying handedness in chiral nanomaterials using label error robust deep learning

Abstract High-throughput scanning electron microscopy (SEM) coupled with classification using neural networks is an ideal method to determine the morphological handedness of large populations of chiral nanoparticles. Automated labeling removes the time-consuming manual labeling of training data, but introduces label error, and subsequently classification error in the trained neural network. Here, we evaluate methods to minimize classification error when training from automated labels of SEM datasets of chiral Tellurium nanoparticles. Using the mirror relationship between images of opposite handed particles, we artificially create populations of varying label error. We analyze the impact of label error rate and training method on the classification error of neural networks on an ideal dataset and on a practical dataset. Of the three training methods considered, we find that a pretraining approach yields the most accurate results across label error rates on ideal datasets, where size and other morphological variables are held constant, but that a co-teaching approach performs the best in practical application.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures

Decades of drug development research have explored a vast chemical space for highly active compounds. The exponential growth of virtual libraries enables easy access to billions of synthesizable molecules. Computational modeling, particularly molecular docking, utilizes physics-based calculations to prioritize molecules for synthesis and testing. Nevertheless, the molecular docking process often yields docking poses with favorable scores that prove to be inaccurate with experimental testing. To address these issues, several approaches using machine learning (ML) have been proposed to filter incorrect poses based on the crystal structures. However, most of the methods are limited by the availability of structure data. Here, we propose a new pose classification approach, PECAN2 (Pose Classification with 3D Atomic Network 2), without the need for crystal structures, based on a 3D atomic neural network with Point Cloud Network (PCN). The new approach uses the correlation between docking scores and experimental data to assign labels, instead of relying on the crystal structures. We validate the proposed classifier on multiple datasets including human mu, delta, and kappa opioid receptors and SARS-CoV-2 Mpro. Our results demonstrate that leveraging the correlation between docking scores and experimental data alone enhances molecular docking performance by filtering out false positives and false negatives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The global spectrum of plant form and function: enhanced species-level trait dataset

Here we provide the ‘Global Spectrum of Plant Form and Function Dataset’, containing species mean values for six vascular plant traits. Together, these traits –plant height, stem specific density, leaf area, leaf mass per area, leaf nitrogen content per dry mass, and diaspore (seed or spore) mass – define the primary axes of variation in plant form and function. The dataset is based on ca. 1 million trait records received via the TRY database (representing ca. 2,500 original publications) and additional unpublished data. It provides 92,159 species mean values for the six traits, covering 46,047 species. The data are complemented by higher-level taxonomic classification and six categorical traits (woodiness, growth form, succulence, adaptation to terrestrial or aquatic habitats, nutrition type and leaf type). Data quality management is based on a probabilistic approach combined with comprehensive validation against expert knowledge and external information. Intense data acquisition and thorough quality control produced the largest and, to our knowledge, most accurate compilation of empirically observed vascular plant species mean traits to date.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone"

This data package is associated with the publication "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone" submitted to Biogeosciences (Stegen et al., 2022). The study aims to understand how the diversity of OM transformations varies across surface and subsurface components of river corridors using inland surface water and sediments collected along river corridors across the contiguous United States. Sediment extracts and water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). This dataset is comprised of one folder (WHONDR_S19S) which contains (1) a subfolder with R scripts used to process the data and to calculate biochemical transformations, (2) processed FTICR-MS data as csv files, sample collection metadata and climate data as csv files, (3) biochemical transformations profile, classifications and database as csv files, and (4) a readme file with more information regarding WHONDRS raw FTICR-MS data and processing scripts. Outside of the main folders there is a csv containing file-level metadata and a csv data dictionary defining column headers for all csv files contained in the data package. The samples were part of a WHONDRS (https://whondrs.pnnl.gov) study. The raw, unprocessed FTICR-MS data with additional data can be found at doi:10.15485/1729719 for sediments and doi:10.15485/1603775 for water. This data package contains the processed data used in the associated manuscript.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Unsupervised domain adaptation for radioisotope identification in gamma spectroscopy

Training machine learning models for radioisotope identification using gamma spectroscopy remains an elusive challenge for many practical applications, largely stemming from the difficulty of acquiring and labeling large, diverse experimental datasets. Simulations can mitigate this challenge, but the accuracy of models trained on simulated data can deteriorate substantially when deployed to an out-of-distribution operational environment. In this study, we demonstrate that unsupervised domain adaptation (UDA) can improve the ability of a model trained on synthetic data to generalize to a new testing domain, provided unlabeled data from the target domain are available. Conventional supervised techniques are unable to utilize this data because the absence of isotope labels precludes defining a supervised classification loss. Instead, we first pretrain a spectral classifier using labeled synthetic data and subsequently leverage unlabeled target data to align the learned feature representations between the source and target domains. We compare a range of different UDA techniques, finding that minimizing the maximum mean discrepancy (MMD) between source and target feature vectors yields the most consistent improvement to testing scores. For instance, using a custom transformer-based neural network, we achieved a testing accuracy of $0.904 \pm 0.022$ on an experimental LaBr test set after performing unsupervised feature alignment via MMD minimization, compared to $0.754 \pm 0.014$ before alignment. Overall, our results highlight the potential of using UDA to adapt a radioisotope classifier trained on synthetic data for real-world deployment.

Lalor, Peter W.↗
NASA NTRS2002

Combining S-space and image spatial information for characterization of land-cover elements using AVIRIS data

Imaging spectroscopy data provides information that is both spatially and spectrally rich. However,hyperspectral classification and identification procedures are generally based solely on the spectral data. The S-space concept treats the spectrum as a 'spatial' dimension thereby facilitating the exploration of a relationship between the spectral and spatial image domains. This paper presents the ideas that will be researched as well as some preliminary results.

AVIRIS image spectroscopy↗
DOE OSTI2022

Pre-trained network-based transfer learning: A small-sample machine learning approach to nuclear power plant classification problem

Some research topics belonging to classification problems in the nuclear industry, such as fault diagnosis and accident identification, can be solved by feature extraction and subsequent application of statistical machine learning classifiers. Recently, deep neural network-based methods with automatic feature extraction and high accuracy have gained wide attention. They usually require large-scale training data, however, plant fault or accident data are scarce or difficult to obtain. Here this paper proposes a convolutional network (CNN)-based transfer learning method to solve this problem. The network's shallow layer is derived from a pre-trained CNN based on the ImageNet database to automatically extract features, and the deep layer is customized to match the classification problem. Data in non-image formats are converted to image formats and subsequently used to train the network. Case studies of rotating machines fault diagnosis show that the proposed method requires only limited training data to achieve high accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Photometric classification of Hyper Suprime-Cam transients using machine learning

Abstract The advancement of technology has resulted in a rapid increase in supernova (SN) discoveries. The Subaru/Hyper Suprime-Cam (HSC) transient survey, conducted from fall 2016 through spring 2017, yielded 1824 SN candidates. This gave rise to the need for fast type classification for spectroscopic follow-up and prompted us to develop a machine learning algorithm using a deep neural network with highway layers. This algorithm is trained by actual observed cadence and filter combinations such that we can directly input the observed data array without any interpretation. We tested our model with a dataset from the LSST classification challenge (Deep Drilling Field). Our classifier scores an area under the curve (AUC) of 0.996 for binary classification (SN Ia or non-SN Ia) and 95.3% accuracy for three-class classification (SN Ia, SN Ibc, or SN II). Application of our binary classification to HSC transient data yields an AUC score of 0.925. With two weeks of HSC data since the first detection, this classifier achieves 78.1% accuracy for binary classification, and the accuracy increases to 84.2% with the full dataset. This paper discusses the potential use of machine learning for SN type classification purposes.

Takahashi, Ichiro↗
NASA NTRS2000

BOREAS TE-18 Landsat TM Physical Classification Image of the SSA

The BOREAS TE-18 team focused its efforts on using remotely sensed data to characterize the successional and disturbance dynamics of the boreal forest for use in carbon modeling. The objective of this classification is to provide the BOREAS investigators with a data product that characterizes the land cover of the SSA. A Landsat-5 TM image from 02-Sep-1994 was used to derive the classification. A technique was implemented that uses reflectances of various land cover types along with a geometric optical canopy model to produce spectral trajectories. These trajectories are used as training data to classify the image into the different land cover classes. These data are provided in a binary image file format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

Hall, Forrest G.↗
NASA NTRS2000

BOREAS TE-18 Landsat TM Maximum Likelihood Classification Image of the SSA

The BOREAS TE-18 team focused its efforts on using remotely sensed data to characterize the successional and disturbance dynamics of the boreal forest for use in carbon modeling. The objective of this classification is to provide the BOREAS investigators with a data product that characterizes the land cover of the SSA. A Landsat-5 TM image from 02-Sep- 1994 was used to derive the classification. A technique was implemented that uses reflectances of various land cover types along with a geometric optical canopy model to produce spectral trajectories. These trajectories are used as training data to classify the image into the different land cover classes. These data are provided in a binary image file format. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Active Center (DAAC).

Hall, Forrest G.↗
NASA NTRS1987

Methods for multisource data analysis in remote sensing

Methods for classifying remotely sensed data from multiple data sources are considered. Special interest is in general methods for multisource classification and three such approaches are considered: Dempster-Shafer theory; fuzzy set theory; and statistical multisource analysis. To apply statistical multisource analysis successfully it is necessary to characterize the reliability of each data source. Separability measures and classification accuracy are used to measure the reliability. These reliability measures are then associated with reliability factors included in the statistical multisource analysis to multispectral scanner data where different segments of the electromagnetic spectrum are treated as different sources. A discussion is included concerning future directions for investigating reliability measures.

Benediktsson, Jon Atli↗