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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Deep Factorization Machine Learning for Disaggregation of Transmission Load Profiles with High Penetration of Behind-The-Meter Solar

The ever-growing integration of distributed energy resources (DERs), especially behind-the-meter (BTM) solar generations, poses imperative operational challenges to system operators such as regional transmission organizations (RTOs). It is important for RTOs to effectively and accurately extract actual load profiles at the transmission level for a single node with significant BTM solar injection. This paper first illustrates the necessity of disaggregating the daily actual load profile of a single node. Furthermore, by segmenting nodes with selected timeseries features, nodes with significant BTM solar generation are identified. Lastly, a bi-level framework is proposed, comprising reference node disaggregation and DeepFM nodal disaggregation, aimed at disaggregating the nodal load profiles from which system operators require more information. By adopting a hybrid Deep Factorization Machine (DeepFM) model, the model achieve accurate results by extracting both linear and nonlinear relations between nodes in the same region and the zonal load and nodal load profile. To overcome the lack of ground truth, this paper segments the load profile into daytime, nighttime, and zero-crossing points and utilizes the latter two for evaluation purposes. The proposed disaggregation procedure is validated using real world, minute-level, normalized, and anonymized nodal data in the PJM service territory.

42 ENGINEERING↗
DOE OSTI2024

Multi deep learning-based stochastic microstructure reconstruction and high-fidelity micromechanics simulation of time-dependent ceramic matrix composite response

A multi deep learning-based framework is developed for efficient, automated microstructure reconstruction and generation of stochastic representative volume elements (SRVEs) with periodic boundary conditions (PBCs) for accurate modeling of ceramic matrix composite (CMC) response. The methodology comprises a convolutional neural network coupled with regression layers to act as a vanilla regression network for semantic segmentation of the microstructure, allowing accurate characterization of the phases and their distributions at the microscale. Scanning electron microscope and confocal microscope are used to obtain C/SiNC and SiC/SiNC CMCs micrographs for vanilla regression testing. Microstructure variability in terms of fiber volume fraction and porosity are quantified through the output regression layer, ensuring accurate representation of material variability in SRVE construction. Generative adversarial network (GAN) and its variants are designed to produce high-fidelity SRVE, spanning CMCs microstructure variability space. A circular padding algorithm is developed to generate SRVEs with PBCs during training of GANs. The accuracy of the generated SRVEs is established through micromechanics simulations, where an efficient formulation of the high-fidelity generalized methods of cells (HFGMC) approach is used to compute the effective mechanical properties. Furthermore, an iterative algorithm is implemented in the HFGMC solver to simulate time-dependent deformation of SiC/SiNC subjected to creep loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Combining Deep Learning and scatterControl for High-Throughput X-ray CT Based Non-Destructive Characterization of Large-Scale Casted Metallic Components

X-ray computed tomography (XCT) is essential for nondestructive evaluation and quality control of large-scale metal components. XCT imaging, however, faces significant challenges from metal artifacts, particularly those caused by Compton scattering, which degrade image quality and obscure critical details. Hardware-based solutions (e.g. scatterControl) offer advancements by intercepting scattered photons and reducing artifacts, but they can be time-consuming and require additional processing. Here, we propose modifying and leveraging a novel deep learning (DL) framework, Simurgh, to enhance and accelerate scatter correction in XCT. By combining scatterControl with DL-based artifact removal, we demonstrate significant reduction in scan time while producing high-quality reconstructions. Through extensive evaluation on industrial XCT data, we show that our methods reduce scan time by up to more than 10 x while preserving flaw detectability. Quantitative analysis across multiple segmentation techniques confirms that Simurgh-based reconstructions consistently outperform traditional Feldkamp-Davis-Kress, model-based iterative reconstruction, and commercial DL models in both pixel-level and task-specific evaluations, enabling scalable, high-throughput XCT workflows for characterization of large scale components in applications such as casting and metal additive manufacturing.

Complex metal parts↗
DOE OSTI2025

Permeability Prediction Using Vision Transformers

Accurate permeability predictions remain pivotal for understanding fluid flow in porous media, influencing crucial operations across petroleum engineering, hydrogeology, and related fields. Traditional approaches, while robust, often grapple with the inherent heterogeneity of reservoir rocks. With the advent of deep learning, convolutional neural networks (CNNs) have emerged as potent tools in image-based permeability estimation, capitalizing on micro-CT scans and digital rock imagery. This paper introduces a novel paradigm, employing vision transformers (ViTs)—a recent advancement in computer vision—for this crucial task. ViTs, which segment images into fixed-sized patches and process them through transformer architectures, present a promising alternative to CNNs. We present a methodology for implementing ViTs for permeability prediction, its results on diverse rock samples, and a comparison against conventional CNNs. The prediction results suggest that, with adequate training data, ViTs can match or surpass the predictive accuracy of CNNs, especially in rocks exhibiting significant heterogeneity. This study underscores the potential of ViTs as an innovative tool in permeability prediction, paving the way for further research and integration into mainstream reservoir characterization workflows.

58 GEOSCIENCES↗
DOE OSTI2024

Exact enforcement of temporal continuity in sequential physics-informed neural networks

The use of deep learning methods in scientific computing represents a potential paradigm shift in engineering problem solving. One of the most prominent developments is Physics-Informed Neural Networks (PINNs), in which neural networks are trained to satisfy partial differential equations (PDEs). While this method shows promise, the standard version has been shown to struggle in accurately predicting the dynamic behavior of time-dependent problems. To address this challenge, methods have been proposed that decompose the time domain into multiple segments, employing a distinct neural network in each segment and directly incorporating continuity between them in the loss function of the minimization problem. In this work we introduce a method to exactly enforce continuity between successive time segments via a solution ansatz. This hard constrained sequential PINN (HCS-PINN) method is simple to implement and eliminates the need for any loss terms associated with temporal continuity. The method is tested for a number of benchmark problems involving both linear and non-linear PDEs. Examples include various first order time dependent problems in which traditional PINNs struggle, namely advection, Allen–Cahn, and Korteweg–de Vries equations. Furthermore, second and third order time-dependent problems are demonstrated via wave and Jerky dynamics examples, respectively. Notably, the Jerky dynamics problem is chaotic, making the problem especially sensitive to temporal accuracy. Finally, the numerical experiments conducted with the proposed method demonstrated superior convergence and accuracy over both traditional PINNs and the soft-constrained counterparts.

42 ENGINEERING↗
DOE OSTI2024

Machine learning-driven descriptions of protein dynamics at solid-liquid interfaces

This chapter has described how ML has enabled quantitative analysis of HS-AFM data to discover the physical phenomena governing protein dynamics and ordering at solid-liquid interfaces. The research detailed in this chapter modeled the rotation models of protein nanorods, the discovery of which would otherwise not be possible. By tracking the trajectories of individual protein rods from frame to frame, it was possible to model Brownian type motion and behaviors and Levy-flight dynamics that had not previously been shown. We also described the application of the Python package AtomAI, which has been developed specifically to analyze and extract physical phenomena, providing exemplar code for training an ensemble of deep neural networks to produce the semantic segmentation of AFM data and functions for encoding and decoding local environments. We last described a combinatorial approach to analyze very noisy data with a densely covered substrate where the emergence of order for the protein liquid crystals could be elucidated. By combining the methods from Case 1 and 2, it was possible to obtain the center of mass and angle for each rod in the images and track the assembly of the rods over time into a 2D liquid crystal array on the surface of mica.

protein dynamics, solid-liquid interfaces, atomic ↗
DOE OSTI2024

Computer vision models enable mixed linear modeling to predict arbuscular mycorrhizal fungal colonization using fungal morphology

Abstract The presence of Arbuscular Mycorrhizal Fungi (AMF) in vascular land plant roots is one of the most ancient of symbioses supporting nitrogen and phosphorus exchange for photosynthetically derived carbon. Here we provide a multi-scale modeling approach to predict AMF colonization of a worldwide crop from a Recombinant Inbred Line (RIL) population derived from Sorghum bicolor and S. propinquum . The high-throughput phenotyping methods of fungal structures here rely on a Mask Region-based Convolutional Neural Network (Mask R-CNN) in computer vision for pixel-wise fungal structure segmentations and mixed linear models to explore the relations of AMF colonization, root niche, and fungal structure allocation. Models proposed capture over 95% of the variation in AMF colonization as a function of root niche and relative abundance of fungal structures in each plant. Arbuscule allocation is a significant predictor of AMF colonization among sibling plants. Arbuscules and extraradical hyphae implicated in nutrient exchange predict highest AMF colonization in the top root section. Our work demonstrates that deep learning can be used by the community for the high-throughput phenotyping of AMF in plant roots. Mixed linear modeling provides a framework for testing hypotheses about AMF colonization phenotypes as a function of root niche and fungal structure allocations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Semi-automatic image annotation using 3D LiDAR projections and depth camera data

Efficient image annotation is necessary to utilize deep learning object recognition neural networks in nuclear safeguards, such as for the detection and localization of target objects like nuclear material containers (NMCs). This capability can help automate the inventory accounting of different types of NMCs within nuclear storage facilities. The conventional manual annotation process is labor-intensive and time-consuming, hindering the rapid deployment of deep learning models for NMC identifications. This paper introduces a novel semi-automatic method for annotating 2D images of nuclear material containers (NMCs) by combining 3D light detection and ranging (LiDAR) data with color and depth camera images collected from a handheld scan system. The annotation pipeline involves an operator manually marking new target objects on a LiDAR-generated map, and projecting these 3D locations to images, thereby automatically creating annotations from the projections. The semi-automatic approach significantly reduces manual efforts and the expertise in image annotation that is required to perform the task, allowing deep learning models to be trained on-site within a few hours. The paper compares the performance of models trained on datasets annotated through various methods, including semi-automatic, manual, and commercial annotation services. The evaluation demonstrates that the semi-automatic annotation method achieves comparable or superior results, with a mean average precision (mAP) above 0.9, showcasing its efficiency in training object recognition models. Additionally, the paper explores the application of the proposed method to instance segmentation, achieving promising results in detecting multiple types of NMCs in various formations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2024

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↗
DOE OSTI2025

Automated Segmentation of Twin Boundaries in TRISO Silicon Carbide Using Deep Neural Networks

Coated particle fuels, such as the tristructural isotropic (TRISO) fuel particle, are essential for high-temperature gas reactor (HTGR) applications due to their efficiency and stability under normal and off-normal conditions. However, widespread commercialization and deployment of this technology for next-generation nuclear applications require robust quality assurance and quality control (QA/QC) methods linking fabrication, properties, and performance. Of the many important metrics for TRISO QA/QC, quantification of the silicon carbide (SiC) microstructure is critical because it correlates with fission product retention during irradiation. Previous work has shown extensive twinning of the SiC microstructure, which strongly affects microstructural metrics; however, twin grain boundaries are not expected play a significant role in fission product diffusion. This report summarizes the initial development, training, and testing of a machine learning image processing algorithm to detect twin grain boundaries in a backscattered electron image, which can be removed so that microstructural metrics can be recalculated for legacy data. Further development and deployment of this model will provide automated, scalable improvement of potential QA/QC methods for the SiC layer of TRISO particles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Aerial imagery dataset of lost oil wells

Orphaned wells are wells for which the operator is unknown or insolvent. The location of hundreds of thousands of these wells remain unknown in the United States alone. Cost-effective techniques are essential to locate orphaned wells to address environmental problems. In this paper, we present a dataset consisting of 120,948 aerial images of recently documented orphan wells. Each of these 512 × 512 images is paired with segmentation masks that indicate the presence or absence of such well. These images, sourced from the National Agriculture Imagery Program, cover the continental United States with spatial resolutions ranging from 30 centimeters to 1 meter. Additionally, we included negative examples by selecting locations uniformly across the United States. Accompanying metadata includes the IDs and spatial resolution of the original images, which are available for free through the United States Geological Survey, and the pixel coordinates of documented orphaned wells identified in these images. This dataset is intended to support the development of deep-learning models that can help locating undocumented orphan wells from such imagery, thereby blunting the environmental damage they do.

Climate-change mitigation↗
DOE OSTI2024

Quantifying leaf symptoms of sorghum charcoal rot in images of field‐grown plants using deep neural networks

Abstract Charcoal rot of sorghum (CRS) is a significant disease affecting sorghum crops, with limited genetic resistance available. The causative agent, Macrophomina phaseolina (Tassi) Goid, is a highly destructive fungal pathogen that targets over 500 plant species globally, including essential staple crops. Utilizing field image data for precise detection and quantification of CRS could greatly assist in the prompt identification and management of affected fields and thereby reduce yield losses. The objective of this work was to implement various machine learning algorithms to evaluate their ability to accurately detect and quantify CRS in red‐green‐blue images of sorghum plants exhibiting symptoms of infection. EfficientNet‐B3 and a fully convolutional network emerged as the top‐performing models for image classification and segmentation tasks, respectively. Among the classification models evaluated, EfficientNet‐B3 demonstrated superior performance, achieving an accuracy of 86.97%, a recall rate of 0.71, and an F1 score of 0.73. Of the segmentation models tested, FCN proved to be the most effective, exhibiting a validation accuracy of 97.76%, a recall rate of 0.68, and an F1 score of 0.66. As the size of the image patches increased, both models’ validation scores increased linearly, and their inference time decreased exponentially. This trend could be attributed to larger patches containing more information, improving model performance, and fewer patches reducing the computational load, thus decreasing inference time. The models, in addition to being immediately useful for breeders and growers of sorghum, advance the domain of automated plant phenotyping and may serve as a foundation for drone‐based or other automated field phenotyping efforts. Additionally, the models presented herein can be accessed through a web‐based application where users can easily analyze their own images.

Gonzalez, Emmanuel M.↗
DOE OSTI2025

Modeling inter‐reader variability in clinical target volume delineation for soft tissue sarcomas using diffusion model

Abstract Background Accurate delineation of the clinical target volume (CTV) is essential in the radiotherapy treatment of soft tissue sarcomas. However, this process is subject to inter‐reader variability due to the need for clinical assessment of risk and extent of potential microscopic spread. This can lead to inconsistencies in treatment planning, potentially impacting treatment outcomes. Most existing automatic CTV delineation methods do not account for this variability and can only generate a single CTV for each case. Purpose This study aims to develop a deep learning‐based technique to generate multiple CTV contours for each case, simulating the inter‐reader variability in the clinical practice. Methods We employed a publicly available dataset consisting of fluorodeoxyglucose positron emission tomography (FDG‐PET), x‐ray computed tomography (CT), and pre‐contrast T1‐weighted magnetic resonance imaging (MRI) scans from 51 patients with soft tissue sarcoma, along with an independent validation set containing five additional patients. An experienced reader drew a contour of the gross tumor volume (GTV) for each patient based on multi‐modality images. Subsequently, two additional readers, together with the first one, were responsible for contouring three CTVs in total based on the GTV. We developed a diffusion model‐based deep learning method that is capable of generating arbitrary number of different and plausible CTVs to mimic the inter‐reader variability in CTV delineation. The proposed model incorporates a separate encoder to extract features from the GTV masks, leveraging the critical role of GTV information in accurate CTV delineation. Results The proposed diffusion model demonstrated superior performance with the highest Dice Index (0.902 compared to values below 0.881 for state‐of‐the‐art models) and the best generalized energy distance (GED) (0.209 compared to values exceeding 0.221 for state‐of‐the‐art models). It also achieved the second‐highest recall and precision metrics among the compared ambiguous image segmentation models. Results from both datasets exhibited consistent trends, reinforcing the reliability of our findings. Additionally, ablation studies exploring different model structures and input configurations highlighted the significance of incorporating prior GTV information for accurate CTV delineation. Conclusions The proposed diffusion model successfully generates multiple plausible CTV contours for soft tissue sarcomas, effectively capturing inter‐reader variability in CTV delineation.

Dong, Yafei [Yale Biomedical Imaging Institute Yal↗
DOE OSTI2025

Deep Learning for Subsurface Flow: A Comparative Study of U‐Net, Fourier Neural Operators, and Transformers in Underground Hydrogen Storage

Subsurface flow research is essential for the sustainable management of natural resources and the environment. Deep learning (DL) has significantly advanced this field by developing efficient and accurate surrogate models to replace computationally expensive physics‐based simulations. These surrogate models are commonly used to predict the spatiotemporal evolution of state variables, such as gas saturation and reservoir pressure, in heterogeneous geological formations. Despite the various DL models applied to this task, there is a lack of studies systematically comparing their performance. This absence of comparative analysis leads to somewhat arbitrary DL model selection in subsurface flow research, resulting in suboptimal performance and potentially inaccurate predictions. To bridge this gap, we conduct a systematic comparison study of three popular DL architectures—U‐Net, Fourier Neural Operators (FNO), and Segmentation Transformer (SETR)—in surrogate modeling of underground hydrogen storage (UHS). We focus on UHS due to its promise of enhancing clean energy resilience and its cyclic operational conditions that represent common scenarios in various subsurface applications. We evaluate the models based on accuracy, training cost, and inference speed. The comparison shows that U‐Net achieves the highest accuracy, followed by SETR and FNO. Despite its lower accuracy, FNO has the highest inference speed. SETR offers competitive accuracy with the least training memory usage, demonstrating the potential of transformers in learning subsurface flow. Our results provide guidance for selecting DL models for surrogate modeling in a wide range of subsurface flow problems.

42 ENGINEERING↗
DOE OSTI2025

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↗
DOE OSTI2025

Surrogate modeling of Cellular-Potts agent-based models as a segmentation task using the U-Net neural network architecture

The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the explicit modeling of interactions among large numbers of individual model agents and diffusive fields described by partial differential equations (PDEs). In this work, we develop a convolutional neural network (CNN) surrogate model using a U-Net architecture that accounts for periodic boundary conditions. We use this model to accelerate the evaluation of a mechanistic CPM previously used to investigate in vitro vasculogenesis. The surrogate model was trained to predict 100 computational steps ahead (Monte-Carlo steps, MCS), accelerating simulation evaluations by a factor of 562 times compared to single-core CPM code execution on CPU. Over short timescales of up to 3 recursive evaluations, or 300 MCS, our model captures the emergent behaviors demonstrated by the original Cellular-Potts model such as vessel sprouting, extension and anastomosis, and contraction of vascular lacunae. This approach demonstrates the potential for deep learning to serve as a step toward efficient surrogate models for CPM simulations, enabling faster evaluation of computationally expensive CPM simulations of biological processes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Simplifying activations with linear approximations in neural networks

A key step in Neural Networks is activation. Among the different types of activation functions, sigmoid, tanh, and others involve the usage of exponents for calculation. From a hardware perspective, exponential implementation implies the usage of Taylor series or repeated methods involving many addition, multiplication, and division steps, and as a result are power-hungry and consume many clock cycles. We implement a piecewise linear approximation of the sigmoid function as a replacement for standard sigmoid activation libraries. This approach provides a practical alternative by leveraging piecewise segmentation, which simplifies hardware implementation and improves computational efficiency. In this paper, we detail piecewise functions that can be implemented using linear approximations and their implications for overall model accuracy and performance gain. Our results show that for the DenseNet, ResNet, and GoogLeNet architectures, the piecewise linear approximation of the sigmoid function provides faster execution times compared to the standard TensorFlow sigmoid implementation while maintaining comparable accuracy. Specifically, for MNIST with DenseNet, accuracy reaches 99.91% (Piecewise) vs. 99.97% (Base) with up to 1.31x speedup in execution time. For CIFAR-10 with DenseNet, accuracy improves to 98.97% (Piecewise) vs. 99.40% (Base) while achieving 1.24x faster execution. Similarly, for CIFAR-100 with DenseNet, the accuracy is 97.93% (Piecewise) vs. 98.39% (Base), with a 1.18x execution time reduction. These results confirm the proposed method’s capability to efficiently process large-scale datasets and computationally demanding tasks, offering a practical means to accelerate deep learning models, including LSTMs, without compromising accuracy.

Activation function↗
DOE OSTI2026

Signal Whisperers: Enhancing Wireless Reception Using DRL-Guided Reflector Arrays

This paper presents a multi-agent reinforcement learning (MARL) approach for controlling adjustable metallic reflector arrays to enhance wireless signal reception in non-line-of-sight (NLOS) scenarios. Unlike conventional reconfigurable intelligent surfaces (RIS) that require complex channel estimation, our system employs a centralized training with decentralized execution (CTDE) paradigm where individual agents corresponding to reflector segments autonomously optimize reflector element orientation in three-dimensional space using spatial intelligence based on user location information. Through extensive ray-tracing simulations with dynamic user mobility, the proposed multi-agent beam-focusing framework demonstrates substantial performance improvements over single-agent reinforcement learning baselines, while maintaining rapid adaptation to user movement within one simulation step. Comprehensive evaluation across varying user densities and reflector configurations validates system scalability and robustness. The results demonstrate the potential of learning-based approaches for adaptive wireless propagation control.

deep reinforcement learning↗