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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Unsupervised Segmentation and Clustering Workflow for Efficient Processing of 4D-STEM and 5D-STEM Data

Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as data dimensionality and sampling density increase, particularly for in situ scanning diffraction experiments (5D-STEM), robust segmentation of structurally consistent behavior across sequential measurements becomes essential for efficient and physically meaningful analysis. Here, we introduce a clustering framework that identifies crystallographically distinct domains from 4D-STEM datasets. By using local diffraction-pattern similarity as a metric, the method extracts closed contours delineating spatially contiguous regions. This approach produces cluster-averaged diffraction patterns that improve signal quality while reducing data volume by orders of magnitude, enabling rapid and accurate orientation, phase, and strain mapping. We demonstrate the applicability of this approach to in situ liquid-cell 4D-STEM data of gold nanoparticle growth. Our method provides a scalable and generalizable route for spatially coherent segmentation, data compression, and quantitative structure–strain mapping across diverse 4D-STEM modalities. The full analysis code and example workflows are publicly available to support reproducibility and reuse.

4D-STEM↗
DOE OSTI2018

Ambient occlusion – A powerful algorithm to segment shell and skeletal intrapores in computed tomography data

During the last decades, X-ray (micro-)computed tomography has gained increasing attention for the description of porous skeletal and shell structures of various organism groups. However, their quantitative analysis is often hampered by the difficulty to discriminate cavities and pores within the object from the surrounding region.Herein, we test the ambient occlusion (AO) algorithm and newly implemented optimisations for the segmentation of cavities (implemented in the software Amira). The segmentation accuracy is evaluated as a function of (i) changes in the ray length input variable, and (ii) the usage of AO (scalar) field and other AO-derived (scalar) fields. The results clearly indicate that the AO field itself outperforms all other AO-derived fields in terms of segmentation accuracy and robustness against variations in the ray length input variable. The newly implemented optimisations improved the AO field-based segmentation only slightly, while the segmentations based on the AO-derived fields improved considerably.Additionally, we evaluated the potential of the AO field and AO-derived fields for the separation and classification of cavities as well as skeletal structures by comparing them with commonly used distance-map-based segmentations. For this, we tested the zooid separation within a bryozoan colony, the stereom classification of an ophiuroid tooth, the separation of bioerosion traces within a marble block and the calice (central cavity)-pore separation within a dendrophyllid coral. The obtained results clearly indicate that the ideal input field depends on the three-dimensional morphology of the object of interest The segmentations based on the AO-derived fields often provided cavity separations and skeleton classifications that at were superior to or impossible to obtain with commonly used distance-map-based segmentations. The combined usage of various AO-derived fields by supervisd or unsupervised segmentation algorithms might provide a promising target for future research to further improve the results for this kind of high-end data segmentation and classification. Furthermore, the application of the developed segmentation algorithm is not restricted to X-ray (micro-)computed tomographic data but may potentially be useful for the segmentation of 3D volume data from other sources.

Computed tomography, Micro-computed tomography, Po↗
DOE OSTI2024

GraphEM

An unsupervised segmentation method for structural analysis of Scanning Transmission Electron Microscopy (STEM) images

Pope, Jenna↗
DOE OSTI2023

Application of unsupervised deep learning to image segmentation and in-situ contact angle measurements in a CO 2 -water-rock system

Rock surface wettability is a critical property that regulates multiphase flows in porous media, which can be quantified using the surface contact angle (CA). X-ray micro-computed tomography (μCT) provides an effective approach to in-situ measurements of surface CAs. However, the CA measurement accuracy depends significantly on the quality of CT image segmentation, which is the clustering of CT pixels into separate phases. Inspired by this, we developed a deep learning (DL)-based CA measurement workflow. Motivated by the recent tremendous progress in unsupervised learning techniques and aiming to avoid expensive manual data annotations, an unsupervised DL pipeline for CT image segmentation was proposed and implemented, which includes unsupervised model training and post-processing. The unsupervised model training was driven by a novel loss function constrained with feature similarity and spatial continuity and implemented by iterative forward and backward paths; the former clustered the pixel-wise feature vectors extracted by convolution neural networks, whereas the latter updated the parameters using gradient descent. An over-segmentation strategy was adopted for model training. The post-processing steps based on agglomerative hierarchical clustering (AHC) were implemented to further merge the over-segmented model output to the desired cluster number, which is intended to improve the efficiency of image segmentation. The developed unsupervised DL pipeline was compared with other commonly-used image segmentation methods using pixel-wise and physics-based evaluation metrics on a synthetic raw-image dataset, which had a known ground truth. The unsupervised DL pipeline showed the best performance. Next, the segmented images were input to an automatic CA measurement tool, and the results were validated by comparisons with manual measurements. The CA values from the manual and automatic measurements showed similar distributions and statistical properties. The automatic measurement demonstrated a wider spectrum because of the much larger number of measurement data points. The primary novelty of the unsupervised DL pipeline developed in this study lies in the novel loss function and the over-segmentation strategy associated with AHC post-processing. Finally, the workflow has been proven an efficient tool for pore-scale wettability characterization, which has a wide range of applications in fundamental studies of multiphase flows in natural porous media, which have critical implications to geological carbon sequestration, hydrocarbon energy recovery, and contaminant transport in groundwater.

42 ENGINEERING↗
DOE OSTI2019

Large Scale Unsupervised Domain Adaptation of Segmentation Networks with Adversarial Learning

Most current state-of-the-art methods for semantic segmentation on remote sensing imagery require large labeled data, which is scarcely available. Due to the distribution shifting phenomenon inherent in remote sensing imagery, the reuse of pre-trained models on new areas of interest rarely yield satisfactory results. In this paper, we approach this problem from an adversarial learning perspective toward unsupervised domain adaptation. The core concept is to infuse fully convolutional neural networks and adversarial networks for semantic segmentation assuming the structures in the scene and objects of interest are similar in two set of images. Models are trained on a source dataset where ground truth is available and adapted to new target dataset iteratively via a adversarial loss on unlabeled samples. We use two real large scale datasets to validate the framework: 1) cross city road extraction and 2) cross country building extraction. The preliminary results show the usefulness of considering adversarial learning for indirect re-use of the pre-trained models. Experimental validation suggests significant benefits over models without adaptation.

Deng, Xueqing↗
DOE OSTI2017

Insight into 3D micro-CT data: exploring segmentation algorithms through performance metrics

Three-dimensional (3D) micro-tomography (µ-CT) has proven to be an important imaging modality in industry and scientific domains. Understanding the properties of material structure and behavior has produced many scientific advances. An important component of the 3D µ-CT pipeline is image partitioning (or image segmentation), a step that is used to separate various phases or components in an image. Image partitioning schemes require specific rules for different scientific fields, but a common strategy consists of devising metrics to quantify performance and accuracy. The present article proposes a set of protocols to systematically analyze and compare the results of unsupervised classification methods used for segmentation of synchrotron-based data. Additionally, the proposed dataflow for Materials Segmentation and Metrics (MSM) provides 3D micro-tomography image segmentation algorithms, such as statistical region merging (SRM), k-means algorithm and parallel Markov random field (PMRF), while offering different metrics to evaluate segmentation quality, confidence and conformity with standards. Both experimental and synthetic data are assessed, illustrating quantitative results through the MSM dashboard, which can return sample information such as media porosity and permeability. The main contributions of this work are: (i) to deliver tools to improve material design and quality control; (ii) to provide datasets for benchmarking and reproducibility; (iii) to yield good practices in the absence of standards or ground-truth for ceramic composite analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Entropy and Boundary Based Adversarial Learning for Large Scale Unsupervised Domain Adaptation

Supervised semantic segmentation methods provide state-of-the-art performance, but their performance is limited by the amount of quality labeled data they need for training. Scarcity of labeled data and non-transferablity of models, due to cross-domain discrepancy makes it a bigger challenge for remote sensing imagery analysis. In this work, we approach this problem through adversarial learning, driven by entropy and boundary of region-of-interest for unsupervised domain adaptation. This concept helps with better boundary prediction and encourages target domain entropy maps (probability/uncertainty maps) to be similar to source domains. In particular, we showed that deriving informative entropy through the adversarial learning is essential to enable the adaptation. We used a large scale cross country building extraction dataset to validate the framework. The experimental results show the usefulness of considering boundary and entropy driven adversarial learning for adaptation.

Makkar, Nikhil↗
DOE OSTI2024

A mesoscale 3D model of irradiated concrete informed via a 2.5 U-Net semantic segmentation

The concrete biological shield in light-water reactors is exposed to neutron and gamma irradiation, which deteriorates the concrete’s mechanical properties in the long term. To assess the irradiation-induced damage, predictive mechanical models are developed and used in parallel with the characterization of irradiated concrete samples. Realistic 3D simulation domains can drastically improve a model’s prediction. In this work, we utilized x-ray computed tomography (XCT) data of a concrete specimen to reconstruct its 3D microstructure. The XCT data shows low contrast between the concrete’s aggregates and cement paste, resulting in poor image segmentation when using traditional unsupervised techniques. To address this issue, we developed and trained a 2.5D U-Net model on only 24 pre-labeled XCT layers to segment 651 layers of the XCT data. The overall F1-score of the model is approximately 96%. Then, we created a 3D finite element (FE) mesh based on the stack of segmented images. The FE model contains radiation-induced expansion, damage, and creep. The constitutive equations are adapted to each phase (aggregates and cement paste). Here, we simulated the effects of neutron irradiation in the concrete specimen as well as the specimen’s mechanical response to uniaxial compression. Finally, model validation was performed using experimental data on similar concrete specimens in the literature.

2.5D U-Net↗
DOE OSTI2023

Corrosion Detection with PaDiM - Observations [Slides]

PaDiM (Patch Distribution Modeling) is an unsupervised approach capable of segmenting anomalies from anomaly score maps. The purpose of this presentation is to demonstrate the optimal performance of PaDiM on a corrosion dataset, what parameters lead to better performances, and other insights.

42 ENGINEERING↗
DOE OSTI2024

Flat and Level Analysis Tool (FLAT) for real-time automated segmentation and analysis of concrete slab point clouds

In the United States, the flatness and levelness of concrete floors during construction is traditionally specified by a maximum allowable gap under a 3 meter straightedge. However, the straightedge method is inexact and rarely representative of the entire floor since the technician is free to choose any location on the floor to perform the measurement. In cases requiring a higher degree of precision and repeatability, concrete floor flatness and levelness can be measured using the standard test method ASTM E1155. With the recent introduction of advanced surveying instruments such as robotic theodolites and terrestrial laser scanners (TLS), the means now exist to modernize and expedite the measurement of floor flatness and levelness. This paper details the development and demonstration of a digital tool, named the Flat and Level Analysis Tool (FLAT), to automate and expedite the segmentation and analysis of flatness and levelness from dense point cloud data of concrete floor slabs. Segmentation algorithms were developed using unsupervised machine learning to extract the set of points belonging to the concrete floor slab from a full 360 scan of a construction site. After segmentation, automated analysis algorithms report the results according to the standard method. The developed algorithms were demonstrated on a dense point cloud captured from a concrete slab-on-grade at a construction site. Results show that the digital tool can quickly provide estimates for floor flatness and levelness with minimal human involvement with comparable accuracy to manual methods.

Hayes, Nolan↗
DOE OSTI2021

Unsupervised Azimuth Estimation of Solar Arrays in Low-Resolution Satellite Imagery through Semantic Segmentation and Hough Transform

This paper explains the use of a convolutional neural network (CNN) to segment solar panels in a satellite image containing solar arrays, and extract associated metadata from the arrays. A novel unsupervised technique is introduced to estimate the azimuth of each individual solar panel from the predicted mask of the convolutional neural network. This pipeline was developed with the aim of extracting necessary metadata for a solar installation, using only a set of latitude–longitude coordinates. Azimuth prediction results for 669 individual solar installations associated with 387 sites located across the United States are provided. A mean average error and median average error of 21.65 degrees and 1.0 degrees were obtained, respectively, when predicting the azimuth of the solar fleet data set, with about 80% of the results within an error of zero degrees of the ground truth azimuth value and about 85% within an error of 25 degrees. The predicted azimuth was then used to estimate the energy conversion of the solar arrays. Results show a 90.9 and 90.6 R-squared value for estimating alternating current (AC) and direct current (DC) energy, respectively, and a mean absolute percentage error (MAPE) of 1.70% in estimating the alternating current (AC) energy using the fully automated algorithm.

14 SOLAR ENERGY↗
DOE OSTI2023

Automatic Point Cloud Building Envelope Segmentation (AutoCuBES)

The Auto-CuBES algorithm is based on unsupervised machine learning that automatically labels 3D point cloud data and reduces the time spent in manual segmentation. The algorithm can process high-resolution point clouds and generate a wire-frame building envelope model with a small set of calibration parameters. The algorithm inputs a 3D point cloud generated by commonly available surveying equipment and outputs a wire-frame model of the building envelope. Unsupervised machine learning methods were used to identify facades, windows, and doors while minimizing the number of calibration parameters.

Puente, BryanMaldonado↗
DOE OSTI2018

Unsupervised Identification of Study Descriptors in Toxicology Research: An Experimental Study

Identifying and extracting data elements such as study descriptors in publication full texts is a critical yet manual and labor-intensive step required in a number of tasks. In this paper we address the question of identifying data elements in an unsupervised manner. Specifically, provided a set of criteria describing specific study parameters, such as species, route of administration, and dosing regimen, we develop an unsupervised approach to identify text segments relevant to the criteria. A binary classifier trained to identify publications that met the criteria performs better when trained on the candidate sentences than when trained on sentences randomly picked from the text, supporting the intuition that our method is able to accurately identify study descriptors.

Herrmannova, Dasha↗
DOE OSTI2022

Development of Multimodal Few-Shot Analytics for Electron Micrographs

Recent advances in materials data analytics have provided new avenues for determining process-structure-property (PSP) linkages in a variety of materials. Machine learning techniques including few-shot learning have increased the efficiency of classifying microscopy images for the purposes of material characterization. Attempts at creating a multimodal approach can provide further improvements to current models and help extract more salient features from data. In this vein, raw spectrum data was taken to provide an additional modality to our current pyCHIP classifier. Modifications in segmentation also show potential in improving the accuracy of the pyCHIP classifier. Classifier output was analyzed using network graphs and unsupervised clustering algorithms such as spectral clustering to detect better segmentation methods than the current “chipping” approach. We suggest that the chip selection process can be automated in the future using a combination of these techniques to enable high-throughput analyses.

36 MATERIALS SCIENCE↗
DOE OSTI2021

TomoEncoders: 3D Autoencoders for feature extraction in X-ray tomography

Real-time steering of time-resolved or in-situ X-ray tomography requires capturing changes in morphological descriptors in a sample (e.g., porosity, particle size, and crack width) during continuous data acquisition. Image segmentation (2D or3D) followed by quantitative measurement is the conventional method for tracking changes in these descriptors with respect to a previous time-step or a 3D search in a volume. However, image segmentation is expensive. As a faster and unsupervised alternative, a feature-extraction approach using a convolutional autoencoders was developed, where the latent space of the encoder responds to relative changes in morphology with-out prior knowledge of the morphological descriptors.

TEKAWADE, ANIKET↗
DOE OSTI2022

Scaling Building Energy Audits through Machine Learning Methods on Novel Drone Image Data

Building energy audits are time-consuming and labor-intensive. This paper describes a new method using machine learning (ML) techniques on novel data sources (drone images) to improve the identification of building characteristics and retrofit opportunities, and thereby reduce the effort for audits. The new ML method includes: (1) Building footprint extraction using line extraction, polygonization, and polygon-merging, (2) Building envelope extraction using PIX4d modeling software to reconstruct a building 3D model, (3) Visualization tool for viewing images from the 3D model, (4) Window-to-wall ratio (WWR) using state-of-art deep neural network semantic segmentation, (5) Envelope thermal anomaly detection using an unsupervised machine learning clustering algorithm, and (6) Rooftop energy equipment detection based on an object detection algorithm. The testing of this method involved a comparison of additional ML-generated information overlaid on current ‘state-of-practice’ audit and remote assessment baselines using evaluation metrics: labor time and associated cost, marginal benefits of using ML-generated information in workflows for audits and remote assessments, integration potential with existing processes and tools, and replicability/scalability of the method. In two test buildings in California that had comprehensive drawings and meter data available, the ML method effectively generated a building footprint, envelope, rooftop equipment, WWR, and locations of envelope thermal anomalies. Projected target segments of the ML method are sites with minimal drawings and energy data, and underserved sectors such as multistoried housing, disadvantaged communities, and schools for which the ML method can enable identification of building asset characteristics and prioritization of envelope retrofits and decentralized energy equipment retrofits.

Singh, Reshma↗