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Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials

Deep Learning and Photogrammetric Reconstruction for Automated Crack Detection and Dimensional Measurement in Mining Operations

Surface crack detection and dimensional measurement at active mining sites present significant safety and operational challenges. Manual inspection methods are labor-intensive, spatially incomplete, and expose personnel to hazardous environments, while existing automated approaches have been developed primarily for concrete civil infrastructure and have not been validated on the complex, variable surfaces characteristic of mining environments. This dissertation presents an automated pipeline that integrates deep learning semantic segmentation with Structure-from-Motion photogrammetry to detect surface cracks and measure their aperture, length, and vertical displacement from standard RGB imagery acquired during routine Uncrewed Aerial Vehicle (UAV) survey operations, without requiring additional sensor hardware or manual measurement. The pipeline combines a U-Net architecture with an EfficientNet-B0 encoder, pretrained on the SDNET2018 concrete crack dataset and fine-tuned on a mining-specific dataset spanning laboratory concrete specimens, coal refuse impoundment embankments, and post-blast limestone quarry benches. Photogrammetric reconstruction is performed using COLMAP Structure-from-Motion and Multi-View Stereo, with crack segmentation masks projected into the reconstructed point cloud to enable three-dimensional vertical displacement measurement through local plane fitting and bimodal surface detection. The pipeline was validated across 36 controlled laboratory specimens at three imaging distances and four vertical displacement levels, achieving aperture measurement RMSE of 0.047 cm and R² of 0.954, and vertical displacement RMSE of 0.140 cm and R² of 0.966, against independent caliper measurements. Field application at a coal refuse impoundment in southwestern Pennsylvania detected 71 crack components across the embankment crest, with a dominant longitudinal crack exhibiting aperture values reaching 28 cm and a 95th percentile vertical displacement of 35.53 cm, consistent in magnitude and spatial distribution with simultaneously acquired LiDAR-derived estimates. Application across four post-blast limestone quarry bench datasets in California successfully characterized blast-induced fracture networks at ground sampling distances ranging from 0.59 to 1.23 cm/pixel, with detected crack geometries physically consistent with observable surface conditions at each site. The results demonstrate that deep learning-based crack detection and photogrammetric measurement can be integrated into routine UAV inspection workflows at mining sites, providing repeatable, scalable, and quantitative crack characterization across surface types, crack scales, and displacement magnitudes not previously addressed in the literature. The pipeline requires no dedicated surveying equipment beyond the UAV platforms already deployed at mine sites for survey and monitoring purposes, supporting practical adoption within existing operational workflows.

Crack detection, Dimensional Measurement

A derecho climatology (2004–2021) in the United States based on machine learning identification of bow echoes

Due to their persistent widespread severe winds, derechos pose significant threats to human safety and property, with impacts comparable to many tornadoes and hurricanes. Yet, automated detection of derechos remains challenging due to the absence of spatiotemporally continuous observations and the complex criteria employed to define the phenomenon. This study presents an objective derecho detection approach capable of automatically identifying derechos through both observations and model results. The approach is grounded in a physically based definition of derechos and integrates three algorithms: (1) the Python Flexible Object Tracker (PyFLEXTRKR) algorithm to track mesoscale convective systems (MCSs), (2) a semantic segmentation convolutional neural network to identify bow echoes, and (3) a comprehensive classification algorithm to detect derechos within MCS life cycles and distinguish derecho-producing from non-derecho-producing MCSs. Using this approach, we developed a novel high-resolution (4 km and hourly) observational dataset of derechos and accompanying derecho-producing MCSs over the United States east of the Rocky Mountains from 2004 to 2021. The dataset consists of two subsets based on different gust speed data sources and is analyzed to document the climatology of derechos in the United States. On average, 12–15 derechos are identified per year, aligning with previous estimations (∼6–21 events annually). The spatial distribution and seasonal variation patterns are consistent with prior studies, showing peak occurrences in the Great Plains and the Midwest during the warm season. Additionally, during the study period, derechos account for approximately 3.1 % of measured damaging gusts (≥25.93 m s−1) over the eastern United States. The dataset is publicly available at https://doi.org/10.5281/zenodo.14835362 (Li et al., 2025).

54 ENVIRONMENTAL SCIENCES

NeMO-Net – The Neural Multi-Modal Observation & Training Network for Global Coral Reef Assessment

We present NeMO-Net, the Srst open-source deep convolutional neural network (CNN) and interactive learning and training software aimed at assessing the present and past dynamics of coral reef ecosystems through habitat mapping into 10 biological and physical classes. Shallow marine systems, particularly coral reefs, are under significant pressures due to climate change, ocean acidification, and other anthropogenic pressures, leading to rapid, often devastating changes, in these fragile and diverse ecosystems. Historically, remote sensing of shallow marine habitats has been limited to meter-scale imagery due to the optical effects of ocean wave distortion, refraction, and optical attenuation. NeMO-Net combines 3D cm-scale distortion-free imagery captured using NASA FluidCam and Fluid lensing remote sensing technology with low resolution airborne and spaceborne datasets of varying spatial resolutions, spectral spaces, calibrations, and temporal cadence in a supercomputer-based machine learning framework. NeMO-Net augments and improves the benthic habitat classification accuracy of low-resolution datasets across large geographic ad temporal scales using high-resolution training data from FluidCam.NeMO-Net uses fully convolutional networks based upon ResNet and ReSneNet to perform semantic segmentation of remote sensing imagery of shallow marine systems captured by drones, aircraft, and satellites, including WorldView and Sentinel. Deep Laplacian Pyramid Super-Resolution Networks (LapSRN) alongside Domain Adversarial Neural Networks (DANNs) are used to reconstruct high resolution information from low resolution imagery, and to recognize domain-invariant features across datasets from multiple platforms to achieve high classification accuracies, overcoming inter-sensor spatial, spectral and temporal variations.Finally, we share our online active learning and citizen science platform, which allows users to provide interactive training data for NeMO-Net in 2D and 3D, integrated within a deep learning framework. We present results from the PaciSc Islands including Fiji, Guam and Peros Banhos 1 1 2 1 3 1 where 24-class classification accuracy exceeds 91%.

Chirayath, Ved

Expanding NeMO-Net Machine Learning Capabilities for Citizen Science

NASA NeMO-Net, the neural multi-modal observation and training network for global coral reef assessment, is an open-source deep convolutional neural network and interactive active learning training software aiming to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology as well as mapping of spatial distribution. We present an interactive citizen science video game, released this April, for desktop and iOS devices where users interactively label morphology classifications over mm-scale 3D coral reef imagery captured using diver photomosaic imagery, the UAV enabled NASA FluidCam instrument, and satellite datasets. To date, the application has had over 40,000 downloads and over 60,000 unique coral reef classifications, each filtered through a user-based rating and expert evaluation system. We also present results from NeMO-Net’s convolutional neural network (CNN) models used to semantically segment 2D satellite imagery as well as projections of 3D coral reconstructions using user input data as training datasets. Fusing datasets using machine learning from multiple remote sensing platforms presents novel methodologies for assessing the health of coral ecosystems, which are critically endangered by a changing climate. In partnering with Mission Blue, the National Oceanic and Atmospheric Administration (NOAA), and the Living Oceans Foundation (LOF), NeMO-Net leverages an international consortium of subject matter experts to provide both proper training for citizen scientists and the generation of a labeled datasets to ingest into machine learning algorithms for global coral reef identification.

NeMO-Net

Expanding NeMO-Net Machine Learning Capabilities for Citizen Science

NASA NeMO-Net, the neural multi-modal observation and training network for global coral reef assessment, is an open-source deep convolutional neural network and interactive active learning training software aiming to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology as well as mapping of spatial distribution. We present an interactive citizen science video game, released this April, for desktop and iOS devices where users interactively label morphology classifications over mm-scale 3D coral reef imagery captured using diver photomosaic imagery, the UAV enabled NASA FluidCam instrument, and satellite datasets. To date, the application has had over 40,000 downloads and over60,000 unique coral reef classifications, each filtered through a user-based rating and expert evaluation system. We also present results from NeMO-Net’s convolutional neural network (CNN) models used to semantically segment 2D satellite imagery as well as projections of 3D coral reconstructions using user input data as training datasets. Fusing datasets using machine learning from multiple remote sensing platforms presents novel methodologies for assessing the health of coral ecosystems, which are critically endangered by a changing climate. In partnering with Mission Blue, the National Oceanic and Atmospheric Administration (NOAA), and the Living Oceans Foundation (LOF), NeMO-Net leverages an international consortium of subject matter experts to provide both proper training for citizen scientists and the generation of a labeled datasets to ingest into machine learning algorithms for global coral reef identification.

NeMO-Net

LIPA: Lunar Ice Perception Algorithm

Introduction: The highest concentration of Lu-nar water-ice stores exists within the Permanently Shadowed Regions (PSRs) of the Lunar South Pole [1-3]. As such, the ability to locate in situ water-ice stores in an accurate, systematic, and safe manner will prove vital for future Lunar activities which rely on hydrogen-based resources. Here we show how the strong absorptive properties of ice can be exploited so that surface ice located in PSRs can be easily differentiated from the surrounding frozen regolith. Testbeds which simulate an icy lunar landscape were created and then systematically imaged using a mid-wave infrared (MWIR) camera system. Testbeds were imaged under two filter modes (1) high-absorption (high-abs) mode: whereby imagery captured were confined to a single central wave-length (CWL) of 3.15 ± 0.03 μm and (2) low-absorption (low-abs) mode: whereby imagery cap-tured were confined to a single CWL of 3.80 ± 0.04 μm (Figure 1). High- and low-absorption modes are related to the absorptive properties of ice at each selected wavelength, respectively. Corresponding images from each filter mode were differenced (i.e., pixels were subtracted) to enhance contrast between ice-bearing and non-ice-bearing pixels, and then fed into a semantic segmen-tation model. The model was trained to detect and differentiate between water, ice, shadows, and lunar regolith. Results: Modeling results accurately discrimi-nated ice from other materials (such as frozen lunar regolith) and were used to visually resolve the spa-tial extent of surface ice. Further, outputs produced through semantic segmentation were used to estimate water-ice contents in collected imagery [(Pixels with Class = “Water Ice”)/(Sum of Pixels)*100]. Summary: These works prove promising for future in situ resource utilization (ISRU) missions which employ robotics in combination with infrared camera systems to advance science objectives (e.g., locate water-ice in frozen regolith) on the lunar sur-face. References: [1] Cannon K. M., Deutsch A. N., Head J. W., and Britt D. T. (2020) Geophysical Re-search Letters, 46, e2020GL088920. [2] Honniball C. I. et al. (2021) Nature Astronomy 5, no. 2, 121-127. [3] Li S. et al. (2018) Proceedings of the National Academy of Sciences, 115(36), 8907-8912.

A. Slabic

New Rover Conops with High-Performance Onboard Computing: Give Up Raw Data to Reduce Ops Cost and Do More Science

A major portion of time during the tactical operation of Mars rovers is spent for selecting, prioritizing, and coordinating sciences and engineering activities such that they fit within resource constraints, including the downlink data volume, energy, and time. In particular, the downlink data volume constraint is getting particularly tighter in recent missions because modern instruments produce increasingly high data volume while the communication bandwidth is essentially bounded by the law of physics. Tactical operation would be substantially simplified, hence the operation cost could be reduced, if the data volume constraint is relaxed or even removed. In this abstract, we propose a new operation paradigm for achieving this goal. The key observation is that, both in science and engineering applications, the bit size of raw data is typically much greater than the volume of processed information that is needed for scientific or engineering analysis. For example, a full-resolution image from Mastcam-Z, the main science camera on Perseverance, is about 700 kB in volume and we downlinked 29,685 images up to Sol 243, totaling ~20 GB of data. But of course, scientists do not use every pixel of these images; what they really look for in the images are geological features, typically represented by specific geometric configurations or textures. An end product after processing hundreds of Mascam-Z images could be a single geological map summarizing the spatial distribution of the features. For another example, a 100-meter drive of Perseverance produces 7-12 MB of drive telemetry, which records every detail of the rover's motion at 8 Hz, including position, attitude, steering angles, encoder readings, motor currents and many other information. But what the ground engineers eventually pay attention to is the signs of anomaly, such as excessive motor currents or high slip; if a drive is nominal, the vast majority of this data is unused. What if, then, we process the raw data onboard and only downlink the processed data that is relevant to scientific or engineering analyses, such as a list of detected science features (with cropped images) or a list of potential signs of anomaly while driving? A major roadblock for such onboard, high-level information processing has been the onboard computational resource. RAD750, the main onboard computer of Perseverance, is obviously not sufficient for performing complex image or signal processing such as object detection, semantic segmentation, or anomaly detection. Interestingly, RAD750 is not the best processor that Perseverance has; Qualcomm's Snapdragon 801, a modern mobile processor, is on her Heli Base Station, a device for communicating with Mars Helicopter Ingenuity; also, Intel's Atom E3845 processors are on engineering cameras. In the reminder of this paper, we will introduce two particular uses cases of these high-performance co-processors (meaning auxiliary CPU, GPU, or other types of processors that are separate from the main processor that runs the main flight software) for lowering operation cost and accommodating more science activities for a given communication constraint.

Didier, A.

Automated Image Segmentation and Processing Pipeline Applied to X–Ray Computed Tomography Studies of Pitting Corrosion in Aluminum Wires

Understanding pitting corrosion is critical, yet its kinetics and morphology remain challenging to study from X-ray computed tomography (XCT) due to manual segmentation barriers. To address this, an automated pipeline leveraging deep learning for efficient large-scale XCT analysis is developed, revealing new corrosion insights. The pipeline enables pit segmentation, 3D reconstruction, statistical characterization, and a topological transformation for visualization. Here, the pipeline is applied to 87 648 XCT images capturing commercial purity aluminum (1100 Al) wire exposed to sodium chloride (NaCl) salt particles over a period of 122 h. The pipeline achieves complete feature extraction and statistical quantification across the entire XCT dataset, leveraging distributed computing environment for high efficiency. Global growth kinetics such as high-level stepwise sigmoidal volume loss patterns and granular individual pit developments are both captured for 36 detected pits. By combining automation, computer vision, and extensive XCT datasets, this research accelerates precise corrosion assessment to enable materials science discoveries at scale.

36 MATERIALS SCIENCE

A Deep Learning Based Framework to Identify Undocumented Orphaned Oil and Gas Wells from Historical Maps: A Case Study for California and Oklahoma

Undocumented Orphaned Wells (UOWs) are wells without an operator that have limited or no documentation with regulatory authorities. An estimated 310,000 to 800,000 UOWs exist in the United States (US), whose locations are largely unknown. These wells can potentially leak methane and other volatile organic compounds to the atmosphere, and contaminate groundwater. In this study, we developed a novel framework utilizing a state-of-the-art computer vision neural network model to identify the precise locations of potential UOWs. The U-Net model is trained to detect oil and gas well symbols in georeferenced historical topographic maps, and potential UOWs are identified as symbols that are further than 100 m from any documented well. A custom tool was developed to rapidly validate the potential UOW locations. We applied this framework to four counties in California and Oklahoma, leading to the discovery of 1301 potential UOWs across >40,000 km 2 . We confirmed the presence of 29 UOWs from satellite images and 15 UOWs from magnetic surveys in the field with a spatial accuracy on the order of 10 m. This framework can be scaled to identify potential UOWs across the US since the historical maps are available for the entire nation.

54 ENVIRONMENTAL SCIENCES

Research in interactive scene analysis

An interactive scene interpretation system (ISIS) was developed as a tool for constructing and experimenting with man-machine and automatic scene analysis methods tailored for particular image domains. A recently developed region analysis subsystem based on the paradigm of Brice and Fennema is described. Using this subsystem a series of experiments was conducted to determine good criteria for initially partitioning a scene into atomic regions and for merging these regions into a final partition of the scene along object boundaries. Semantic (problem-dependent) knowledge is essential for complete, correct partitions of complex real-world scenes. An interactive approach to semantic scene segmentation was developed and demonstrated on both landscape and indoor scenes. This approach provides a reasonable methodology for segmenting scenes that cannot be processed completely automatically, and is a promising basis for a future automatic system. A program is described that can automatically generate strategies for finding specific objects in a scene based on manually designated pictorial examples.

Tenenbaum, J. M.

pnnl/SAMIAm

We apply semantic boosting to the Segment Anything Model (SAM) to obtain microstructure segmentation for transmission electron microscopy. Our booster, SAM-I-Am, extracts geometric and textural features of various intermediate masks to perform mask removal and mask merging operations

Mesfin, Waqwoya

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco

Mars Terrain Segmentation with Less Labels

Planetary rover systems need to perform terrain segmentation to identify drivable areas as well as identify specific types of soil for sample collection. The latest Martian terrain segmentation methods rely on supervised learning which is very data hungry and difficult to train where only a small number of labeled samples are available. Moreover, the semantic classes are defined differently for different applications (e.g., rover traversal vs. geological) and as a result the network has to be trained from scratch each time, which is an inefficient use of resources. This research proposes a semi-supervised learning framework for Mars terrain segmentation where a deep segmentation network trained in an unsupervised manner on unlabeled images is transferred to the task of terrain segmentation trained on few labeled images. The network incorporates a backbone module which is trained using a contrastive loss function and an output atrous convolution module which is trained using a pixel-wise cross-entropy loss function. Evaluation results using the metric of segmentation accuracy show that the proposed method with contrastive pre-training outperforms plain supervised learning by 2%-10%. Moreover, the proposed model is able to achieve a segmentation accuracy of 91.1% using only 161 training images (1% of the original dataset) compared to 81.9% with plain supervised learning.

Wilson, Brian D

Supervised pixel classification using a feature space derived from an artificial visual system

Image segmentation involves labelling pixels according to their membership in image regions. This requires the understanding of what a region is. Using supervised pixel classification, the paper investigates how groups of pixels labelled manually according to perceived image semantics map onto the feature space created by an Artificial Visual System. Multiscale structure of regions are investigated and it is shown that pixels form clusters based on their geometric roles in the image intensity function, not by image semantics. A tentative abstract definition of a 'region' is proposed based on this behavior.

Baxter, Lisa C.

Analyzing Array Manipulating Programs by Program Transformation

We explore a transformational approach to the problem of verifying simple array-manipulating programs. Traditionally, verification of such programs requires intricate analysis machinery to reason with universally quantified statements about symbolic array segments, such as "every data item stored in the segment A[i] to A[j] is equal to the corresponding item stored in the segment B[i] to B[j]." We define a simple abstract machine which allows for set-valued variables and we show how to translate programs with array operations to array-free code for this machine. For the purpose of program analysis, the translated program remains faithful to the semantics of array manipulation. Based on our implementation in LLVM, we evaluate the approach with respect to its ability to extract useful invariants and the cost in terms of code size.

Program Transformation

Oak Ridge National Laboratory Building Envelope Library (ORNOBEL)

The Oak Ridge National Laboratory Building Envelope Library (ORNOBEL) is a collection of dense exterior building-facade point clouds acquired using a survey-grade terrestrial laser scanner. Each file represents an individual facade from a building on the Oak Ridge National Laboratory (ORNL) campus or in Knoxville, Tennessee, with an average point-cloud resolution of approximately 3 mm. The points in each facade are semantically labeled into three classes: (1) window/door, representing openings in the building envelope; (2) wall, representing planar opaque envelope surfaces; and (3) other, representing the remaining facade-adjacent elements, architectural features, and protrusions. ORNOBEL supports the development, training, and evaluation of advanced deep-learning methods for automated building-envelope segmentation, geometric reconstruction, and building information modeling (BIM).

Maldonado Puente, Bryan [ORNL] (ORCID:000000033880

An Ontology for State Analysis: Formalizing the Mapping to SysML

State Analysis is a methodology developed over the last decade for architecting, designing and documenting complex control systems. Although it was originally conceived for designing robotic spacecraft, recent applications include the design of control systems for large ground-based telescopes. The European Southern Observatory (ESO) began a project to design the European Extremely Large Telescope (E-ELT), which will require coordinated control of over a thousand articulated mirror segments. The designers are using State Analysis as a methodology and the Systems Modeling Language (SysML) as a modeling and documentation language in this task. To effectively apply the State Analysis methodology in this context it became necessary to provide ontological definitions of the concepts and relations in State Analysis and greater flexibility through a mapping of State Analysis into a practical extension of SysML. The ontology provides the formal basis for verifying compliance with State Analysis semantics including architectural constraints. The SysML extension provides the practical basis for applying the State Analysis methodology with SysML tools. This paper will discuss the method used to develop these formalisms (the ontology), the formalisms themselves, the mapping to SysML and approach to using these formalisms to specify a control system and enforce architectural constraints in a SysML model.

Wagner, David A.