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32 records · Page 2

Unpaired image translation to mitigate domain shift in liquid argon time projection chamber detector responses

Deep learning algorithms often are developed and trained on a training dataset and deployed on test datasets. Any systematic difference between the training and a test dataset may severely degrade the final algorithm performance on the test dataset—what is known as the domain shift problem . This issue is prevalent in many scientific domains where algorithms are trained on simulated data but applied to real-world datasets. Typically, the domain shift problem is solved through various domain adaptation (DA) methods. However, these methods are often tailored for a specific downstream task, such as classification or semantic segmentation, and may not easily generalize to different tasks. This work explores the feasibility of using an alternative way to solve the domain shift problem that is not specific to any downstream algorithm. The proposed approach relies on modern Unpaired Image-to-Image (UI2I) translation techniques, designed to find translations between different image domains in a fully unsupervised fashion. In this study, the approach is applied to a domain shift problem commonly encountered in Liquid Argon Time Projection Chamber (LArTPC) detector research when seeking a way to translate samples between two differently distributed LArTPC detector datasets deterministically. This translation allows for mapping real-world data into the simulated data domain where the downstream algorithms can be run with much less domain-shift-related performance degradation. Conversely, using the translation from the simulated data to a real-world domain can increase the realism of the simulated dataset and reduce the magnitude of any systematic uncertainties. To evaluate the quality of the translations, we use both pixel-wise metrics and a downstream task to measure the effectiveness of UI2I methods for mitigating the domain shift problem. We adapted several popular UI2I translation algorithms to work on scientific data and demonstrated the viability of these techniques for solving the domain shift problem with LArTPC detector data. To facilitate further development of DA techniques for scientific datasets, the ‘Simple Liquid-Argon Track Samples’ dataset used in this study is also published.

97 MATHEMATICS AND COMPUTING

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.

2d materials

DeepAndes: A Self-Supervised Vision Foundation Model for Multispectral Remote Sensing Imagery of the Andes

By mapping sites at large scales usingremotely sensed data, archaeologists can generate unique insights into long-term demographic trends, interregional social networks, and human adaptations in the past. Remote sensing surveys complement field-based approaches, and their reach can be especially great when combined with deep learning and computer vision techniques. However, conventional supervised deep learning methods face challenges in annotating fine-grained archaeological features at scale. In addition, while recent vision foundation models have shown remarkable success in learning large-scale remote sensing data with minimal annotations, most off-the-shelf solutions are designed for RGB images rather than multispectral satellite imagery, such as the eight-band data used in our study. In this article, we introduce DeepAndes, a transformer-based vision foundation model trained on three million multispectral satellite images, specifically tailored for Andean archaeology. DeepAndes incorporates a customized DINOv2 self-supervised learning algorithm optimized for eight-band multispectral imagery, marking the first foundation model designed explicitly for the Andes region. We evaluate its image understanding performance through imbalanced image classification, image instance retrieval, and pixel-level semantic segmentation tasks. Our experiments show that DeepAndes achieves superior F1 scores, mean average precision, and Dice scores in few-shot learning scenarios, significantly outperforming models trained from scratch or pretrained on smaller datasets. This underscores the effectiveness of large-scale self-supervised pretraining in archaeological remote sensing.

Guo, Junlin [Vanderbilt Univ., Nashville, TN (Unit

OReole-FM: successes and challenges toward billion-parameter foundation models for high-resolution satellite imagery

While the pretraining of Foundation Models (FMs) for remote sensing (RS) imagery is on the rise, models remain restricted to a few hundred million parameters. Scaling models to billions of parameters has been shown to yield unprecedented benefits including emergent abilities, but requires data scaling and computing resources typically not available outside industry R&D labs. In this work, we pair high-performance computing resources including Frontier supercomputer, America's first exascale system, and high-resolution optical RS data to pretrain billion-scale FMs. Our study assesses performance of different pretrained variants of vision Transformers across image classification, semantic segmentation and object detection benchmarks, which highlight the importance of data scaling for effective model scaling. Moreover, we discuss construction of a novel TIU pretraining dataset, model initialization, with data and pretrained models intended for public release. By discussing technical challenges and details often lacking in the related literature, this work is intended to offer best practices to the geospatial community toward efficient training and benchmarking of larger FMs.

Ambrozio Dias, Philipe

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. 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.

2D materials

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

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

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

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

Masked Symbol Modeling for Demodulation of Oversampled Baseband Communication Signals in Impulsive Noise-Dominated Channels

Recent breakthroughs in natural language processing show that attention mech- anism in Transformer networks, trained via masked-token prediction, enables models to capture the semantic context of the tokens and internalize the grammar of language. While the application of Transformers to communication systems is a burgeoning field, the notion of context within physical waveforms remains under-explored. This paper addresses that gap by re-examining inter-symbol con- tribution (ISC) caused by pulse-shaping overlap. Rather than treating ISC as a nuisance, we view it as a deterministic source of contextual information embedded in oversampled complex baseband signals. We propose Masked Symbol Model- ing (MSM), a framework for the physical (PHY) layer inspired by Bidirectional Encoder Representations from Transformers methodology. In MSM, a subset of symbol-aligned samples is randomly masked, and a Transformer predicts the missing symbol identifiers using the surrounding “in-between” samples. Through this objective, the model learns the latent syntax of complex baseband waveforms. We illustrate MSM’s potential by applying it to the task of demodulating sig- nals corrupted by impulsive noise, where the model infers corrupted segments by leveraging the learned context. Our results suggest a path toward receivers that interpret, rather than merely detect communication signals, opening new avenues for context-aware PHY layer design.

Bedir, Oguz